Starting phenix.real_space_refine on Sat May 24 13:31:53 2025 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/8cgl_16647/05_2025/8cgl_16647.cif Found real_map, /net/cci-nas-00/data/ceres_data/8cgl_16647/05_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 { real_map_files = "/net/cci-nas-00/data/ceres_data/8cgl_16647/05_2025/8cgl_16647.map" default_real_map = "/net/cci-nas-00/data/ceres_data/8cgl_16647/05_2025/8cgl_16647.map" model { file = "/net/cci-nas-00/data/ceres_data/8cgl_16647/05_2025/8cgl_16647.cif" } default_model = "/net/cci-nas-00/data/ceres_data/8cgl_16647/05_2025/8cgl_16647.cif" } resolution = 4.1 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.002 sd= 0.035 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-filer2/raid1/xp/phenix/phenix-dev-5687/modules/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: {'GLN:plan1': 19, 'ARG:plan': 16, 'TYR:plan': 18, 'ASN:plan1': 22, 'HIS:plan': 23, 'PHE:plan': 26, 'GLU:plan': 36, 'ASP:plan': 24} 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: {'GLN:plan1': 19, 'ARG:plan': 16, 'TYR:plan': 18, 'ASN:plan1': 22, 'HIS:plan': 23, 'PHE:plan': 26, 'GLU:plan': 36, 'ASP:plan': 24} Unresolved non-hydrogen planarities: 835 bond proxies already assigned to first conformer: 4199 Restraints were copied for chains: C, B, 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: 10.96, per 1000 atoms: 0.66 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: 5.00 Conformation dependent library (CDL) restraints added in 3.9 seconds 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: 2.52 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: 6.33 Time building geometry restraints manager: 5.80 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: 0.12 Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'C' selection = chain 'B' 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: 0.870 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.180 Construct map_model_manager: 0.510 Extract box with map and model: 0.690 Check model and map are aligned: 0.120 Set scattering table: 0.160 Process input model: 46.260 Find NCS groups from input model: 0.350 Set up NCS constraints: 0.060 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.000 Load rotamer database and sin/cos tables:2.640 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 51.840 ------------------------------------------------------------------------------- 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 (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.82 (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 TRP 0.016 0.004 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.001 0.000 TYR D 193 Details of bonding type rmsd hydrogen bonds : bond 0.18942 ( 768) hydrogen bonds : angle 7.60871 ( 2088) covalent geometry : bond 0.00784 (11264) covalent geometry : angle 1.06510 (15752) *********************** 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 : 1.366 Fit side-chains outliers start: 4 outliers final: 4 residues processed: 52 average time/residue: 0.1890 time to fit residues: 18.7344 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 : 1.435 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 185 optimal weight: 4.9990 chunk 166 optimal weight: 7.9990 chunk 92 optimal weight: 5.9990 chunk 56 optimal weight: 10.0000 chunk 112 optimal weight: 8.9990 chunk 89 optimal weight: 4.9990 chunk 172 optimal weight: 8.9990 chunk 66 optimal weight: 3.9990 chunk 104 optimal weight: 0.0000 chunk 128 optimal weight: 7.9990 chunk 199 optimal weight: 10.0000 overall best weight: 3.9992 ------------------------------------------------------------------------------- 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 = 0.3722 r_free = 0.3722 target = 0.060569 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 32)----------------| | r_work = 0.3429 r_free = 0.3429 target = 0.044490 restraints weight = 511539.055| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 32)----------------| | r_work = 0.3444 r_free = 0.3444 target = 0.044960 restraints weight = 457756.080| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.3451 r_free = 0.3451 target = 0.045267 restraints weight = 399718.489| |-----------------------------------------------------------------------------| r_work (final): 0.3407 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3406 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3406 r_free = 0.3406 target_work(ls_wunit_k1) = 0.045 | | occupancies: max = 1.00 min = 0.29 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3407 r_free = 0.3407 target_work(ls_wunit_k1) = 0.045 | | occupancies: max = 1.00 min = 0.28 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3407 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7783 moved from start: 0.1429 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.029 11264 Z= 0.174 Angle : 0.492 4.465 15752 Z= 0.278 Chirality : 0.049 0.170 2060 Planarity : 0.003 0.037 2312 Dihedral : 4.163 18.589 2220 Min Nonbonded Distance : 2.425 Molprobity Statistics. All-atom Clashscore : 2.27 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.86 % Favored : 96.14 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.00 (0.18), residues: 2208 helix: 1.45 (0.20), residues: 736 sheet: -0.35 (0.24), residues: 428 loop : -0.88 (0.19), residues: 1044 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.008 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.011 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.03953 ( 768) hydrogen bonds : angle 5.44062 ( 2088) covalent geometry : bond 0.00270 (11264) covalent geometry : angle 0.49233 (15752) *********************** 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 : 1.456 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.1793 time to fit residues: 17.3127 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 : 1.442 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 134 optimal weight: 10.0000 chunk 18 optimal weight: 9.9990 chunk 94 optimal weight: 10.0000 chunk 196 optimal weight: 20.0000 chunk 51 optimal weight: 30.0000 chunk 63 optimal weight: 7.9990 chunk 37 optimal weight: 8.9990 chunk 76 optimal weight: 0.0970 chunk 174 optimal weight: 0.0070 chunk 61 optimal weight: 20.0000 chunk 90 optimal weight: 30.0000 overall best weight: 5.4202 ------------------------------------------------------------------------------- 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 = 0.056143 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 31)----------------| | r_work = 0.3327 r_free = 0.3327 target = 0.040787 restraints weight = 475052.912| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 18)----------------| | r_work = 0.3339 r_free = 0.3339 target = 0.041092 restraints weight = 408457.641| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 23)----------------| | r_work = 0.3342 r_free = 0.3342 target = 0.041255 restraints weight = 377462.747| |-----------------------------------------------------------------------------| r_work (final): 0.3303 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3302 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3302 r_free = 0.3302 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 = 0.3302 r_free = 0.3302 target_work(ls_wunit_k1) = 0.042 | | occupancies: max = 1.00 min = 0.27 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3302 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7982 moved from start: 0.3088 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.066 11264 Z= 0.187 Angle : 0.514 4.777 15752 Z= 0.299 Chirality : 0.049 0.181 2060 Planarity : 0.004 0.034 2312 Dihedral : 4.037 15.723 2220 Min Nonbonded Distance : 2.489 Molprobity Statistics. All-atom Clashscore : 2.27 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.26 % Favored : 94.74 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.04 (0.18), residues: 2208 helix: 1.29 (0.18), residues: 756 sheet: -0.52 (0.23), residues: 492 loop : -0.75 (0.20), residues: 960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.006 TRP D 272 PHE 0.000 0.000 PHE A 176 TYR 0.022 0.002 TYR D 193 Details of bonding type rmsd hydrogen bonds : bond 0.03987 ( 768) hydrogen bonds : angle 5.07194 ( 2088) covalent geometry : bond 0.00301 (11264) covalent geometry : angle 0.51427 (15752) *********************** 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 : 1.443 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.1758 time to fit residues: 17.0721 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 : 1.428 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 6 optimal weight: 20.0000 chunk 3 optimal weight: 10.0000 chunk 165 optimal weight: 20.0000 chunk 88 optimal weight: 20.0000 chunk 13 optimal weight: 10.0000 chunk 215 optimal weight: 50.0000 chunk 214 optimal weight: 8.9990 chunk 218 optimal weight: 30.0000 chunk 37 optimal weight: 10.0000 chunk 26 optimal weight: 9.9990 chunk 216 optimal weight: 40.0000 overall best weight: 9.7996 ------------------------------------------------------------------------------- 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 = 0.3516 r_free = 0.3516 target = 0.051425 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 32)----------------| | r_work = 0.3095 r_free = 0.3095 target = 0.033589 restraints weight = 462866.118| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 34)----------------| | r_work = 0.3119 r_free = 0.3119 target = 0.034218 restraints weight = 363325.683| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 34)----------------| | r_work = 0.3134 r_free = 0.3134 target = 0.034716 restraints weight = 301376.141| |-----------------------------------------------------------------------------| r_work (final): 0.3109 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3316 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3316 r_free = 0.3316 target_work(ls_wunit_k1) = 0.044 | | occupancies: max = 1.00 min = 0.27 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3316 r_free = 0.3316 target_work(ls_wunit_k1) = 0.044 | | occupancies: max = 1.00 min = 0.25 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3316 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6619 moved from start: 0.5502 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.116 11264 Z= 0.330 Angle : 0.688 5.600 15752 Z= 0.425 Chirality : 0.048 0.154 2060 Planarity : 0.006 0.047 2312 Dihedral : 5.689 18.463 2220 Min Nonbonded Distance : 2.420 Molprobity Statistics. All-atom Clashscore : 15.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.07 % Favored : 89.93 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.72 (0.17), residues: 2208 helix: -0.44 (0.17), residues: 752 sheet: -1.45 (0.22), residues: 532 loop : -1.37 (0.20), residues: 924 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.004 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.039 0.003 TYR A 193 Details of bonding type rmsd hydrogen bonds : bond 0.05522 ( 768) hydrogen bonds : angle 6.70985 ( 2088) covalent geometry : bond 0.00541 (11264) covalent geometry : angle 0.68814 (15752) *********************** 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 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 1.621 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.1680 time to fit residues: 15.6140 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 : 1.456 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 198 optimal weight: 7.9990 chunk 101 optimal weight: 8.9990 chunk 169 optimal weight: 20.0000 chunk 41 optimal weight: 20.0000 chunk 50 optimal weight: 40.0000 chunk 129 optimal weight: 8.9990 chunk 193 optimal weight: 7.9990 chunk 188 optimal weight: 8.9990 chunk 40 optimal weight: 7.9990 chunk 135 optimal weight: 30.0000 chunk 88 optimal weight: 20.0000 overall best weight: 8.3990 ------------------------------------------------------------------------------- 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 = 0.3583 r_free = 0.3583 target = 0.053717 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3198 r_free = 0.3198 target = 0.039152 restraints weight = 486948.209| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.3226 r_free = 0.3226 target = 0.039953 restraints weight = 353279.331| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 31)----------------| | r_work = 0.3245 r_free = 0.3245 target = 0.040559 restraints weight = 281247.361| |-----------------------------------------------------------------------------| 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 = 0.25 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3142 r_free = 0.3142 target_work(ls_wunit_k1) = 0.036 | | occupancies: max = 1.00 min = 0.25 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3142 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8191 moved from start: 0.5959 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.076 11264 Z= 0.246 Angle : 0.549 4.534 15752 Z= 0.326 Chirality : 0.048 0.132 2060 Planarity : 0.004 0.049 2312 Dihedral : 4.869 16.113 2220 Min Nonbonded Distance : 2.497 Molprobity Statistics. All-atom Clashscore : 5.32 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.94 % Favored : 92.06 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.34 (0.18), residues: 2208 helix: 0.13 (0.18), residues: 756 sheet: -1.49 (0.23), residues: 492 loop : -1.26 (0.21), residues: 960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.002 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.018 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.04332 ( 768) hydrogen bonds : angle 6.34929 ( 2088) covalent geometry : bond 0.00384 (11264) covalent geometry : angle 0.54860 (15752) *********************** 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 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 1.574 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.1641 time to fit residues: 15.3631 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 : 1.551 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 175 optimal weight: 10.0000 chunk 147 optimal weight: 9.9990 chunk 29 optimal weight: 4.9990 chunk 10 optimal weight: 10.0000 chunk 87 optimal weight: 20.0000 chunk 172 optimal weight: 9.9990 chunk 12 optimal weight: 20.0000 chunk 9 optimal weight: 2.9990 chunk 99 optimal weight: 20.0000 chunk 159 optimal weight: 6.9990 chunk 66 optimal weight: 0.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- 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 = 0.3587 r_free = 0.3587 target = 0.053723 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3187 r_free = 0.3187 target = 0.038803 restraints weight = 553375.096| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.3233 r_free = 0.3233 target = 0.040100 restraints weight = 401724.675| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 35)----------------| | r_work = 0.3264 r_free = 0.3264 target = 0.041522 restraints weight = 272879.222| |-----------------------------------------------------------------------------| r_work (final): 0.3191 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3190 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3190 r_free = 0.3190 target_work(ls_wunit_k1) = 0.040 | | occupancies: max = 1.00 min = 0.25 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3190 r_free = 0.3190 target_work(ls_wunit_k1) = 0.040 | | occupancies: max = 1.00 min = 0.24 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3190 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8131 moved from start: 0.6187 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.066 11264 Z= 0.180 Angle : 0.495 4.513 15752 Z= 0.281 Chirality : 0.048 0.131 2060 Planarity : 0.004 0.046 2312 Dihedral : 4.364 14.490 2220 Min Nonbonded Distance : 2.487 Molprobity Statistics. All-atom Clashscore : 3.52 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.53 % Favored : 92.47 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.02 (0.18), residues: 2208 helix: 0.68 (0.18), residues: 784 sheet: -1.54 (0.23), residues: 492 loop : -1.27 (0.21), residues: 932 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRP B 272 PHE 0.000 0.000 PHE A 176 TYR 0.014 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.03715 ( 768) hydrogen bonds : angle 5.73424 ( 2088) covalent geometry : bond 0.00302 (11264) covalent geometry : angle 0.49485 (15752) *********************** 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 : 1.565 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.1668 time to fit residues: 15.3584 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 : 1.532 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 217 optimal weight: 10.0000 chunk 124 optimal weight: 20.0000 chunk 180 optimal weight: 9.9990 chunk 61 optimal weight: 30.0000 chunk 79 optimal weight: 8.9990 chunk 162 optimal weight: 7.9990 chunk 58 optimal weight: 20.0000 chunk 145 optimal weight: 30.0000 chunk 97 optimal weight: 20.0000 chunk 13 optimal weight: 9.9990 chunk 26 optimal weight: 0.8980 overall best weight: 7.5788 ------------------------------------------------------------------------------- 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 = 0.3528 r_free = 0.3528 target = 0.051949 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 30)----------------| | r_work = 0.3157 r_free = 0.3157 target = 0.037684 restraints weight = 539873.130| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 35)----------------| | r_work = 0.3179 r_free = 0.3179 target = 0.038373 restraints weight = 403707.295| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 34)----------------| | r_work = 0.3197 r_free = 0.3197 target = 0.038946 restraints weight = 322520.585| |-----------------------------------------------------------------------------| r_work (final): 0.3119 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3119 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3119 r_free = 0.3119 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.24 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3119 r_free = 0.3119 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.23 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3119 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8235 moved from start: 0.6956 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.080 11264 Z= 0.262 Angle : 0.557 5.039 15752 Z= 0.332 Chirality : 0.048 0.131 2060 Planarity : 0.005 0.054 2312 Dihedral : 4.793 16.224 2220 Min Nonbonded Distance : 2.428 Molprobity Statistics. All-atom Clashscore : 8.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.84 % Favored : 89.16 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.28 (0.18), residues: 2208 helix: 0.44 (0.18), residues: 772 sheet: -1.43 (0.26), residues: 420 loop : -1.57 (0.20), residues: 1016 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRP D 272 PHE 0.000 0.000 PHE A 176 TYR 0.018 0.001 TYR A 193 Details of bonding type rmsd hydrogen bonds : bond 0.04634 ( 768) hydrogen bonds : angle 6.31055 ( 2088) covalent geometry : bond 0.00410 (11264) covalent geometry : angle 0.55701 (15752) *********************** 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 45 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 45 time to evaluate : 1.310 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 45 average time/residue: 0.1614 time to fit residues: 15.1735 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 : 1.346 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 104 optimal weight: 0.2980 chunk 108 optimal weight: 6.9990 chunk 59 optimal weight: 30.0000 chunk 193 optimal weight: 4.9990 chunk 15 optimal weight: 9.9990 chunk 179 optimal weight: 20.0000 chunk 178 optimal weight: 9.9990 chunk 162 optimal weight: 5.9990 chunk 201 optimal weight: 8.9990 chunk 26 optimal weight: 10.0000 chunk 74 optimal weight: 20.0000 overall best weight: 5.4588 ------------------------------------------------------------------------------- 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 = 0.3560 r_free = 0.3560 target = 0.052879 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3179 r_free = 0.3179 target = 0.038558 restraints weight = 480279.582| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 24)----------------| | r_work = 0.3195 r_free = 0.3195 target = 0.039074 restraints weight = 358883.287| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 39)----------------| | r_work = 0.3216 r_free = 0.3216 target = 0.039774 restraints weight = 295603.153| |-----------------------------------------------------------------------------| r_work (final): 0.3129 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3129 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3129 r_free = 0.3129 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.23 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3129 r_free = 0.3129 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.19 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3129 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8201 moved from start: 0.7102 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.054 11264 Z= 0.185 Angle : 0.486 4.490 15752 Z= 0.279 Chirality : 0.048 0.130 2060 Planarity : 0.004 0.049 2312 Dihedral : 4.241 16.128 2220 Min Nonbonded Distance : 2.447 Molprobity Statistics. All-atom Clashscore : 3.23 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.71 % Favored : 92.29 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.85 (0.18), residues: 2208 helix: 0.99 (0.19), residues: 776 sheet: -1.44 (0.27), residues: 420 loop : -1.38 (0.20), residues: 1012 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.011 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.03712 ( 768) hydrogen bonds : angle 5.73192 ( 2088) covalent geometry : bond 0.00296 (11264) covalent geometry : angle 0.48648 (15752) *********************** 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 46 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 46 time to evaluate : 1.382 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 46 average time/residue: 0.1657 time to fit residues: 15.9122 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 : 1.341 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 5 optimal weight: 9.9990 chunk 99 optimal weight: 20.0000 chunk 141 optimal weight: 9.9990 chunk 183 optimal weight: 4.9990 chunk 134 optimal weight: 20.0000 chunk 194 optimal weight: 40.0000 chunk 97 optimal weight: 10.0000 chunk 125 optimal weight: 20.0000 chunk 62 optimal weight: 10.0000 chunk 214 optimal weight: 7.9990 chunk 86 optimal weight: 9.9990 overall best weight: 8.5990 ------------------------------------------------------------------------------- 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 = 0.3511 r_free = 0.3511 target = 0.051329 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 32)----------------| | r_work = 0.3135 r_free = 0.3135 target = 0.037153 restraints weight = 554876.316| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 25)----------------| | r_work = 0.3155 r_free = 0.3155 target = 0.037835 restraints weight = 416261.134| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 17)----------------| | r_work = 0.3172 r_free = 0.3172 target = 0.038346 restraints weight = 330638.316| |-----------------------------------------------------------------------------| r_work (final): 0.3102 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3102 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3102 r_free = 0.3102 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.19 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3102 r_free = 0.3102 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.14 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3102 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8256 moved from start: 0.7625 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.077 11264 Z= 0.272 Angle : 0.555 4.699 15752 Z= 0.333 Chirality : 0.047 0.130 2060 Planarity : 0.005 0.054 2312 Dihedral : 4.802 17.558 2220 Min Nonbonded Distance : 2.387 Molprobity Statistics. All-atom Clashscore : 10.15 Ramachandran Plot: Outliers : 0.00 % Allowed : 12.11 % Favored : 87.89 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.34 (0.18), residues: 2208 helix: 0.32 (0.18), residues: 800 sheet: -1.60 (0.28), residues: 388 loop : -1.54 (0.19), residues: 1020 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.002 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.019 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.04605 ( 768) hydrogen bonds : angle 6.36004 ( 2088) covalent geometry : bond 0.00422 (11264) covalent geometry : angle 0.55492 (15752) *********************** 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 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 1.363 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.1626 time to fit residues: 16.0969 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 : 1.299 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 206 optimal weight: 20.0000 chunk 169 optimal weight: 9.9990 chunk 90 optimal weight: 30.0000 chunk 9 optimal weight: 0.0570 chunk 107 optimal weight: 2.9990 chunk 184 optimal weight: 20.0000 chunk 37 optimal weight: 6.9990 chunk 23 optimal weight: 8.9990 chunk 93 optimal weight: 0.0970 chunk 118 optimal weight: 0.8980 chunk 84 optimal weight: 40.0000 overall best weight: 2.2100 ------------------------------------------------------------------------------- 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 = 45)----------------| | r_work = 0.3189 r_free = 0.3189 target = 0.038948 restraints weight = 405311.945| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 37)----------------| | r_work = 0.3209 r_free = 0.3209 target = 0.039616 restraints weight = 315575.007| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.3220 r_free = 0.3220 target = 0.039902 restraints weight = 258543.574| |-----------------------------------------------------------------------------| r_work (final): 0.3117 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3104 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3104 r_free = 0.3104 target_work(ls_wunit_k1) = 0.035 | | occupancies: max = 1.00 min = 0.14 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3104 r_free = 0.3104 target_work(ls_wunit_k1) = 0.035 | | occupancies: max = 1.00 min = 0.11 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3104 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8211 moved from start: 0.7490 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.041 11264 Z= 0.113 Angle : 0.451 4.393 15752 Z= 0.248 Chirality : 0.048 0.129 2060 Planarity : 0.004 0.046 2312 Dihedral : 4.019 16.336 2220 Min Nonbonded Distance : 2.461 Molprobity Statistics. All-atom Clashscore : 1.85 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.13 % Favored : 93.87 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.50 (0.19), residues: 2208 helix: 1.36 (0.19), residues: 780 sheet: -1.77 (0.27), residues: 400 loop : -1.01 (0.20), residues: 1028 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.002 0.001 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.006 0.000 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.03131 ( 768) hydrogen bonds : angle 5.43230 ( 2088) covalent geometry : bond 0.00197 (11264) covalent geometry : angle 0.45067 (15752) ********************** 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 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 1.343 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.1654 time to fit residues: 16.3489 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 : 1.422 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 67 optimal weight: 9.9990 chunk 75 optimal weight: 8.9990 chunk 143 optimal weight: 10.0000 chunk 173 optimal weight: 5.9990 chunk 168 optimal weight: 20.0000 chunk 49 optimal weight: 0.9990 chunk 123 optimal weight: 10.0000 chunk 86 optimal weight: 9.9990 chunk 43 optimal weight: 50.0000 chunk 108 optimal weight: 50.0000 chunk 102 optimal weight: 50.0000 overall best weight: 7.1990 ------------------------------------------------------------------------------- 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 = 0.3521 r_free = 0.3521 target = 0.051619 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 40)----------------| | r_work = 0.3162 r_free = 0.3162 target = 0.038015 restraints weight = 409482.388| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 23)----------------| | r_work = 0.3171 r_free = 0.3171 target = 0.038279 restraints weight = 328299.548| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 29)----------------| | r_work = 0.3187 r_free = 0.3187 target = 0.038868 restraints weight = 291888.657| |-----------------------------------------------------------------------------| r_work (final): 0.3120 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3120 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3120 r_free = 0.3120 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.11 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3120 r_free = 0.3120 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 16 | |-----------------------------------------------------------------------------| r_final: 0.3120 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8228 moved from start: 0.7744 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.063 11264 Z= 0.218 Angle : 0.497 4.459 15752 Z= 0.290 Chirality : 0.047 0.129 2060 Planarity : 0.005 0.051 2312 Dihedral : 4.252 17.041 2220 Min Nonbonded Distance : 2.408 Molprobity Statistics. All-atom Clashscore : 5.32 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.66 % Favored : 89.34 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.84 (0.18), residues: 2208 helix: 1.06 (0.19), residues: 780 sheet: -1.81 (0.28), residues: 400 loop : -1.26 (0.19), residues: 1028 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRP A 272 PHE 0.000 0.000 PHE A 176 TYR 0.014 0.001 TYR C 193 Details of bonding type rmsd hydrogen bonds : bond 0.03929 ( 768) hydrogen bonds : angle 5.81336 ( 2088) covalent geometry : bond 0.00344 (11264) covalent geometry : angle 0.49735 (15752) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 5061.99 seconds wall clock time: 87 minutes 25.56 seconds (5245.56 seconds total)