Starting phenix.real_space_refine on Fri Mar 6 07:37:23 2026 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399_trim.cif Found real_map, /net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.95 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { model { file = "/net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399_trim.cif" } default_model = "/net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399_trim.cif" real_map_files = "/net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399.map" default_real_map = "/net/cci-nas-00/data/ceres_data/8deu_27399/03_2026/8deu_27399.map" } resolution = 2.95 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 0.071 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 6 Type Number sf(0) Gaussians P 7 5.49 5 S 137 5.16 5 C 15619 2.51 5 N 3905 2.21 5 O 4461 1.98 5 H 4959 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped. Time to flip 151 residue(s): 0.03s Monomer Library directory: "/net/cci-filer3/home/dcliebschner/04_cryoem/Phenix-dev-5986/lib/python3.9/site-packages/chem_data/mon_lib" Total number of atoms: 29088 Number of models: 1 Model: "" Number of chains: 7 Chain: "A" Number of atoms: 9455 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1041, 9455 Classifications: {'peptide': 1041} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 1000} Chain: "B" Number of atoms: 9438 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1040, 9438 Classifications: {'peptide': 1040} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 999} Chain: "C" Number of atoms: 9442 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1040, 9442 Classifications: {'peptide': 1040} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 999} Chain breaks: 1 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 4 Unresolved non-hydrogen planarities: 1 Chain: "D" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 64 Classifications: {'peptide': 9} Link IDs: {'PTRANS': 1, 'TRANS': 7} Chain: "A" Number of atoms: 249 Number of conformers: 1 Conformer: "" Number of residues, atoms: 12, 249 Unusual residues: {'PTY': 12} Classifications: {'undetermined': 12} Link IDs: {None: 11} Unresolved non-hydrogen bonds: 355 Unresolved non-hydrogen angles: 412 Unresolved non-hydrogen dihedrals: 319 Unresolved non-hydrogen chiralities: 10 Planarities with less than four sites: {'PTY:plan-1': 8, 'PTY:plan-2': 5} Unresolved non-hydrogen planarities: 42 Chain: "B" Number of atoms: 209 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 209 Unusual residues: {'PTY': 6} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 93 Unresolved non-hydrogen angles: 109 Unresolved non-hydrogen dihedrals: 87 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'PTY:plan-1': 1, 'PTY:plan-2': 1} Unresolved non-hydrogen planarities: 3 Chain: "C" Number of atoms: 231 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 231 Unusual residues: {'PTY': 9} Classifications: {'undetermined': 9} Link IDs: {None: 8} Unresolved non-hydrogen bonds: 224 Unresolved non-hydrogen angles: 268 Unresolved non-hydrogen dihedrals: 202 Unresolved non-hydrogen chiralities: 7 Planarities with less than four sites: {'PTY:plan-1': 5, 'PTY:plan-2': 6} Unresolved non-hydrogen planarities: 29 Time building chain proxies: 6.19, per 1000 atoms: 0.21 Number of scatterers: 29088 At special positions: 0 Unit cell: (118.8, 125.28, 147.96, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 6 Type Number sf(0) S 137 16.00 P 7 15.00 O 4461 8.00 N 3905 7.00 C 15619 6.00 H 4959 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=1, symmetry=0 Simple disulfide: pdb=" SG CYS D 120 " - pdb=" SG CYS D 128 " distance=2.03 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.00 Amino acid : True - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 1.93 Conformation dependent library (CDL) restraints added in 1.0 seconds 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 5700 Finding SS restraints... Secondary structure from input PDB file: 115 helices and 23 sheets defined 58.6% alpha, 17.3% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 1.07 Creating SS restraints... Processing helix chain 'A' and resid 1 through 8 Processing helix chain 'A' and resid 8 through 28 Processing helix chain 'A' and resid 53 through 61 Processing helix chain 'A' and resid 61 through 67 Processing helix chain 'A' and resid 99 through 115 Processing helix chain 'A' and resid 116 through 118 No H-bonds generated for 'chain 'A' and resid 116 through 118' Processing helix chain 'A' and resid 119 through 126 Processing helix chain 'A' and resid 148 through 166 removed outlier: 4.571A pdb=" N VAL A 161 " --> pdb=" O GLN A 157 " (cutoff:3.500A) Proline residue: A 162 - end of helix Processing helix chain 'A' and resid 187 through 195 Processing helix chain 'A' and resid 197 through 209 removed outlier: 3.804A pdb=" N VAL A 201 " --> pdb=" O SER A 197 " (cutoff:3.500A) Processing helix chain 'A' and resid 240 through 245 Processing helix chain 'A' and resid 261 through 263 No H-bonds generated for 'chain 'A' and resid 261 through 263' Processing helix chain 'A' and resid 296 through 312 removed outlier: 3.513A pdb=" N THR A 300 " --> pdb=" O ASN A 296 " (cutoff:3.500A) Processing helix chain 'A' and resid 313 through 315 No H-bonds generated for 'chain 'A' and resid 313 through 315' Processing helix chain 'A' and resid 328 through 358 Processing helix chain 'A' and resid 365 through 384 Proline residue: A 371 - end of helix Processing helix chain 'A' and resid 389 through 422 removed outlier: 4.605A pdb=" N GLY A 401 " --> pdb=" O ILE A 397 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N ILE A 402 " --> pdb=" O LEU A 398 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N ASP A 405 " --> pdb=" O GLY A 401 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ASP A 406 " --> pdb=" O ILE A 402 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA A 407 " --> pdb=" O VAL A 403 " (cutoff:3.500A) Processing helix chain 'A' and resid 424 through 452 removed outlier: 5.822A pdb=" N GLY A 438 " --> pdb=" O GLY A 434 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N ALA A 439 " --> pdb=" O GLN A 435 " (cutoff:3.500A) Processing helix chain 'A' and resid 452 through 457 removed outlier: 3.592A pdb=" N MET A 456 " --> pdb=" O VAL A 452 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N PHE A 457 " --> pdb=" O PRO A 453 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 452 through 457' Processing helix chain 'A' and resid 461 through 494 removed outlier: 4.285A pdb=" N THR A 487 " --> pdb=" O ALA A 483 " (cutoff:3.500A) Proline residue: A 488 - end of helix Processing helix chain 'A' and resid 508 through 534 removed outlier: 4.007A pdb=" N TRP A 512 " --> pdb=" O GLY A 508 " (cutoff:3.500A) Processing helix chain 'A' and resid 536 through 555 Processing helix chain 'A' and resid 580 through 598 removed outlier: 3.542A pdb=" N ILE A 598 " --> pdb=" O LEU A 594 " (cutoff:3.500A) Processing helix chain 'A' and resid 638 through 654 Processing helix chain 'A' and resid 687 through 706 removed outlier: 3.593A pdb=" N LEU A 691 " --> pdb=" O GLY A 687 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N GLY A 706 " --> pdb=" O MET A 702 " (cutoff:3.500A) Processing helix chain 'A' and resid 729 through 734 Processing helix chain 'A' and resid 739 through 752 removed outlier: 3.513A pdb=" N ILE A 743 " --> pdb=" O SER A 739 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N LEU A 751 " --> pdb=" O LEU A 747 " (cutoff:3.500A) Processing helix chain 'A' and resid 774 through 777 Processing helix chain 'A' and resid 780 through 785 Processing helix chain 'A' and resid 833 through 848 Processing helix chain 'A' and resid 858 through 866 removed outlier: 3.974A pdb=" N GLU A 862 " --> pdb=" O GLY A 858 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LYS A 865 " --> pdb=" O ARG A 861 " (cutoff:3.500A) Processing helix chain 'A' and resid 869 through 890 Processing helix chain 'A' and resid 894 through 900 removed outlier: 3.694A pdb=" N VAL A 898 " --> pdb=" O ILE A 894 " (cutoff:3.500A) Processing helix chain 'A' and resid 901 through 922 removed outlier: 3.915A pdb=" N GLY A 905 " --> pdb=" O VAL A 901 " (cutoff:3.500A) Processing helix chain 'A' and resid 932 through 962 removed outlier: 4.265A pdb=" N LEU A 952 " --> pdb=" O LYS A 948 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ILE A 953 " --> pdb=" O ASN A 949 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLN A 961 " --> pdb=" O ALA A 957 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ALA A 962 " --> pdb=" O LYS A 958 " (cutoff:3.500A) Processing helix chain 'A' and resid 966 through 993 removed outlier: 3.582A pdb=" N ALA A 971 " --> pdb=" O ALA A 967 " (cutoff:3.500A) removed outlier: 5.196A pdb=" N ARG A 980 " --> pdb=" O ARG A 976 " (cutoff:3.500A) Proline residue: A 981 - end of helix Processing helix chain 'A' and resid 1003 through 1041 removed outlier: 4.012A pdb=" N GLN A1007 " --> pdb=" O SER A1003 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N THR A1013 " --> pdb=" O ALA A1009 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE A1027 " --> pdb=" O LEU A1023 " (cutoff:3.500A) Proline residue: A1030 - end of helix Processing helix chain 'B' and resid 2 through 7 removed outlier: 3.556A pdb=" N ASP B 7 " --> pdb=" O LYS B 3 " (cutoff:3.500A) Processing helix chain 'B' and resid 8 through 28 Processing helix chain 'B' and resid 53 through 61 Processing helix chain 'B' and resid 61 through 67 Processing helix chain 'B' and resid 99 through 115 removed outlier: 3.929A pdb=" N GLU B 113 " --> pdb=" O ASN B 109 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N VAL B 114 " --> pdb=" O LYS B 110 " (cutoff:3.500A) Processing helix chain 'B' and resid 116 through 118 No H-bonds generated for 'chain 'B' and resid 116 through 118' Processing helix chain 'B' and resid 119 through 126 Processing helix chain 'B' and resid 148 through 160 Processing helix chain 'B' and resid 160 through 165 Processing helix chain 'B' and resid 187 through 195 Processing helix chain 'B' and resid 197 through 209 Processing helix chain 'B' and resid 240 through 246 Processing helix chain 'B' and resid 260 through 263 No H-bonds generated for 'chain 'B' and resid 260 through 263' Processing helix chain 'B' and resid 296 through 312 Processing helix chain 'B' and resid 313 through 315 No H-bonds generated for 'chain 'B' and resid 313 through 315' Processing helix chain 'B' and resid 328 through 358 Processing helix chain 'B' and resid 364 through 384 Proline residue: B 371 - end of helix Processing helix chain 'B' and resid 389 through 422 removed outlier: 4.521A pdb=" N GLY B 401 " --> pdb=" O ILE B 397 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N ILE B 402 " --> pdb=" O LEU B 398 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ALA B 407 " --> pdb=" O VAL B 403 " (cutoff:3.500A) Processing helix chain 'B' and resid 424 through 452 removed outlier: 5.661A pdb=" N GLY B 438 " --> pdb=" O GLY B 434 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ALA B 439 " --> pdb=" O GLN B 435 " (cutoff:3.500A) Processing helix chain 'B' and resid 453 through 456 Processing helix chain 'B' and resid 459 through 495 removed outlier: 3.526A pdb=" N ASN B 463 " --> pdb=" O GLY B 459 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLN B 467 " --> pdb=" O ASN B 463 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N PHE B 468 " --> pdb=" O ILE B 464 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N THR B 487 " --> pdb=" O ALA B 483 " (cutoff:3.500A) Proline residue: B 488 - end of helix Processing helix chain 'B' and resid 508 through 534 removed outlier: 3.622A pdb=" N LYS B 534 " --> pdb=" O LYS B 530 " (cutoff:3.500A) Processing helix chain 'B' and resid 534 through 555 removed outlier: 4.016A pdb=" N MET B 538 " --> pdb=" O LYS B 534 " (cutoff:3.500A) Processing helix chain 'B' and resid 580 through 598 removed outlier: 3.708A pdb=" N SER B 597 " --> pdb=" O GLN B 593 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N ILE B 598 " --> pdb=" O LEU B 594 " (cutoff:3.500A) Processing helix chain 'B' and resid 638 through 654 Processing helix chain 'B' and resid 687 through 704 removed outlier: 3.781A pdb=" N ALA B 704 " --> pdb=" O GLN B 700 " (cutoff:3.500A) Processing helix chain 'B' and resid 729 through 736 Processing helix chain 'B' and resid 740 through 752 removed outlier: 4.183A pdb=" N LEU B 751 " --> pdb=" O LEU B 747 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N SER B 752 " --> pdb=" O ALA B 748 " (cutoff:3.500A) Processing helix chain 'B' and resid 774 through 777 Processing helix chain 'B' and resid 780 through 785 Processing helix chain 'B' and resid 797 through 801 Processing helix chain 'B' and resid 833 through 848 Processing helix chain 'B' and resid 859 through 865 removed outlier: 4.287A pdb=" N LYS B 865 " --> pdb=" O ARG B 861 " (cutoff:3.500A) Processing helix chain 'B' and resid 867 through 890 removed outlier: 3.849A pdb=" N ILE B 871 " --> pdb=" O GLY B 867 " (cutoff:3.500A) Processing helix chain 'B' and resid 894 through 899 removed outlier: 3.781A pdb=" N VAL B 898 " --> pdb=" O ILE B 894 " (cutoff:3.500A) Processing helix chain 'B' and resid 901 through 923 removed outlier: 3.619A pdb=" N GLY B 905 " --> pdb=" O VAL B 901 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LEU B 923 " --> pdb=" O PHE B 919 " (cutoff:3.500A) Processing helix chain 'B' and resid 932 through 963 removed outlier: 3.557A pdb=" N ASP B 959 " --> pdb=" O GLU B 955 " (cutoff:3.500A) Processing helix chain 'B' and resid 966 through 998 removed outlier: 3.541A pdb=" N ALA B 970 " --> pdb=" O SER B 966 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N ARG B 980 " --> pdb=" O ARG B 976 " (cutoff:3.500A) Proline residue: B 981 - end of helix Proline residue: B 995 - end of helix removed outlier: 3.665A pdb=" N ILE B 998 " --> pdb=" O VAL B 994 " (cutoff:3.500A) Processing helix chain 'B' and resid 1003 through 1040 removed outlier: 3.530A pdb=" N GLN B1007 " --> pdb=" O SER B1003 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N PHE B1027 " --> pdb=" O LEU B1023 " (cutoff:3.500A) Proline residue: B1030 - end of helix removed outlier: 3.717A pdb=" N PHE B1040 " --> pdb=" O VAL B1036 " (cutoff:3.500A) Processing helix chain 'C' and resid 2 through 6 Processing helix chain 'C' and resid 8 through 28 removed outlier: 3.664A pdb=" N ALA C 12 " --> pdb=" O ARG C 8 " (cutoff:3.500A) Processing helix chain 'C' and resid 53 through 61 Processing helix chain 'C' and resid 61 through 69 removed outlier: 3.567A pdb=" N ASN C 68 " --> pdb=" O VAL C 64 " (cutoff:3.500A) Processing helix chain 'C' and resid 99 through 116 removed outlier: 3.656A pdb=" N VAL C 114 " --> pdb=" O LYS C 110 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N SER C 116 " --> pdb=" O SER C 112 " (cutoff:3.500A) Processing helix chain 'C' and resid 119 through 126 Processing helix chain 'C' and resid 148 through 160 Processing helix chain 'C' and resid 160 through 167 removed outlier: 3.634A pdb=" N ILE C 167 " --> pdb=" O GLU C 163 " (cutoff:3.500A) Processing helix chain 'C' and resid 187 through 194 removed outlier: 3.599A pdb=" N TYR C 194 " --> pdb=" O LYS C 190 " (cutoff:3.500A) Processing helix chain 'C' and resid 197 through 209 Processing helix chain 'C' and resid 240 through 246 Processing helix chain 'C' and resid 296 through 312 Processing helix chain 'C' and resid 313 through 315 No H-bonds generated for 'chain 'C' and resid 313 through 315' Processing helix chain 'C' and resid 327 through 358 removed outlier: 4.276A pdb=" N VAL C 331 " --> pdb=" O THR C 327 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU C 332 " --> pdb=" O SER C 328 " (cutoff:3.500A) Processing helix chain 'C' and resid 359 through 364 Processing helix chain 'C' and resid 364 through 384 removed outlier: 3.829A pdb=" N VAL C 369 " --> pdb=" O ILE C 365 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N VAL C 370 " --> pdb=" O PRO C 366 " (cutoff:3.500A) Proline residue: C 371 - end of helix Processing helix chain 'C' and resid 389 through 400 Processing helix chain 'C' and resid 404 through 421 Processing helix chain 'C' and resid 424 through 444 removed outlier: 6.001A pdb=" N GLY C 438 " --> pdb=" O GLY C 434 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N ALA C 439 " --> pdb=" O GLN C 435 " (cutoff:3.500A) Processing helix chain 'C' and resid 447 through 452 removed outlier: 4.016A pdb=" N PHE C 451 " --> pdb=" O LEU C 447 " (cutoff:3.500A) Processing helix chain 'C' and resid 453 through 456 Processing helix chain 'C' and resid 460 through 494 removed outlier: 3.571A pdb=" N PHE C 468 " --> pdb=" O ILE C 464 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N THR C 487 " --> pdb=" O ALA C 483 " (cutoff:3.500A) Proline residue: C 488 - end of helix Processing helix chain 'C' and resid 508 through 533 Processing helix chain 'C' and resid 534 through 555 removed outlier: 3.572A pdb=" N ARG C 555 " --> pdb=" O PHE C 551 " (cutoff:3.500A) Processing helix chain 'C' and resid 580 through 598 removed outlier: 3.556A pdb=" N SER C 597 " --> pdb=" O GLN C 593 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE C 598 " --> pdb=" O LEU C 594 " (cutoff:3.500A) Processing helix chain 'C' and resid 628 through 632 removed outlier: 3.635A pdb=" N GLU C 631 " --> pdb=" O ASP C 628 " (cutoff:3.500A) Processing helix chain 'C' and resid 638 through 654 Processing helix chain 'C' and resid 687 through 703 removed outlier: 3.867A pdb=" N LEU C 691 " --> pdb=" O GLY C 687 " (cutoff:3.500A) Processing helix chain 'C' and resid 729 through 736 Processing helix chain 'C' and resid 740 through 752 removed outlier: 4.065A pdb=" N LEU C 751 " --> pdb=" O LEU C 747 " (cutoff:3.500A) Processing helix chain 'C' and resid 774 through 777 Processing helix chain 'C' and resid 780 through 785 Processing helix chain 'C' and resid 833 through 849 removed outlier: 3.879A pdb=" N GLY C 849 " --> pdb=" O VAL C 845 " (cutoff:3.500A) Processing helix chain 'C' and resid 858 through 890 removed outlier: 3.986A pdb=" N GLU C 862 " --> pdb=" O GLY C 858 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLY C 866 " --> pdb=" O GLU C 862 " (cutoff:3.500A) removed outlier: 4.461A pdb=" N GLY C 867 " --> pdb=" O GLU C 863 " (cutoff:3.500A) removed outlier: 5.161A pdb=" N SER C 868 " --> pdb=" O ALA C 864 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLN C 869 " --> pdb=" O LYS C 865 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N ILE C 871 " --> pdb=" O GLY C 867 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N ALA C 872 " --> pdb=" O SER C 868 " (cutoff:3.500A) Processing helix chain 'C' and resid 893 through 900 Processing helix chain 'C' and resid 901 through 923 removed outlier: 3.849A pdb=" N GLY C 905 " --> pdb=" O VAL C 901 " (cutoff:3.500A) Processing helix chain 'C' and resid 932 through 962 removed outlier: 3.859A pdb=" N ILE C 953 " --> pdb=" O ASN C 949 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N PHE C 956 " --> pdb=" O LEU C 952 " (cutoff:3.500A) Processing helix chain 'C' and resid 966 through 998 removed outlier: 4.988A pdb=" N ARG C 980 " --> pdb=" O ARG C 976 " (cutoff:3.500A) Proline residue: C 981 - end of helix Proline residue: C 995 - end of helix Processing helix chain 'C' and resid 1003 through 1040 removed outlier: 3.725A pdb=" N GLN C1007 " --> pdb=" O SER C1003 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N THR C1013 " --> pdb=" O ALA C1009 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N PHE C1027 " --> pdb=" O LEU C1023 " (cutoff:3.500A) Proline residue: C1030 - end of helix Processing sheet with id=AA1, first strand: chain 'A' and resid 127 through 130 removed outlier: 7.658A pdb=" N SER A 87 " --> pdb=" O ALA A 82 " (cutoff:3.500A) removed outlier: 5.208A pdb=" N ALA A 82 " --> pdb=" O SER A 87 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N SER A 89 " --> pdb=" O THR A 80 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N THR A 80 " --> pdb=" O SER A 89 " (cutoff:3.500A) removed outlier: 6.830A pdb=" N SER A 91 " --> pdb=" O MET A 78 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N MET A 78 " --> pdb=" O SER A 91 " (cutoff:3.500A) removed outlier: 7.062A pdb=" N THR A 93 " --> pdb=" O ASP A 76 " (cutoff:3.500A) removed outlier: 12.402A pdb=" N GLN A 812 " --> pdb=" O GLU A 823 " (cutoff:3.500A) removed outlier: 9.103A pdb=" N GLU A 823 " --> pdb=" O GLN A 812 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N VAL A 814 " --> pdb=" O ALA A 821 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N TYR A 819 " --> pdb=" O PHE A 816 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 127 through 130 removed outlier: 7.658A pdb=" N SER A 87 " --> pdb=" O ALA A 82 " (cutoff:3.500A) removed outlier: 5.208A pdb=" N ALA A 82 " --> pdb=" O SER A 87 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N SER A 89 " --> pdb=" O THR A 80 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N THR A 80 " --> pdb=" O SER A 89 " (cutoff:3.500A) removed outlier: 6.830A pdb=" N SER A 91 " --> pdb=" O MET A 78 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N MET A 78 " --> pdb=" O SER A 91 " (cutoff:3.500A) removed outlier: 7.062A pdb=" N THR A 93 " --> pdb=" O ASP A 76 " (cutoff:3.500A) removed outlier: 12.402A pdb=" N GLN A 812 " --> pdb=" O GLU A 823 " (cutoff:3.500A) removed outlier: 9.103A pdb=" N GLU A 823 " --> pdb=" O GLN A 812 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N VAL A 814 " --> pdb=" O ALA A 821 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N TYR A 819 " --> pdb=" O PHE A 816 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 170 through 175 removed outlier: 7.089A pdb=" N VAL A 170 " --> pdb=" O SER A 292 " (cutoff:3.500A) removed outlier: 5.514A pdb=" N SER A 292 " --> pdb=" O VAL A 170 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLN A 172 " --> pdb=" O MET A 290 " (cutoff:3.500A) removed outlier: 6.125A pdb=" N MET A 287 " --> pdb=" O ILE A 139 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N ILE A 139 " --> pdb=" O MET A 287 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL A 289 " --> pdb=" O LEU A 137 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N LEU A 291 " --> pdb=" O ASN A 135 " (cutoff:3.500A) removed outlier: 7.117A pdb=" N ASN A 135 " --> pdb=" O LEU A 291 " (cutoff:3.500A) removed outlier: 8.456A pdb=" N LEU A 137 " --> pdb=" O ASP A 326 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N ASP A 326 " --> pdb=" O LEU A 137 " (cutoff:3.500A) removed outlier: 7.179A pdb=" N ILE A 139 " --> pdb=" O PRO A 324 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A' and resid 266 through 270 removed outlier: 8.683A pdb=" N ARG A 180 " --> pdb=" O LEU A 765 " (cutoff:3.500A) removed outlier: 4.687A pdb=" N ARG A 767 " --> pdb=" O ARG A 180 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N SER A 757 " --> pdb=" O VAL A 768 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N VAL A 770 " --> pdb=" O TYR A 755 " (cutoff:3.500A) removed outlier: 5.425A pdb=" N TYR A 755 " --> pdb=" O VAL A 770 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 215 through 217 removed outlier: 4.398A pdb=" N GLY A 215 " --> pdb=" O VAL A 232 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N VAL A 232 " --> pdb=" O GLY A 215 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N THR A 231 " --> pdb=" O LEU B 724 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N ILE B 726 " --> pdb=" O THR A 231 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N THR A 233 " --> pdb=" O ILE B 726 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 248 through 250 removed outlier: 6.532A pdb=" N ILE A 258 " --> pdb=" O LEU A 249 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 282 through 283 removed outlier: 6.701A pdb=" N ILE A 625 " --> pdb=" O GLU A 602 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ILE A 604 " --> pdb=" O PHE A 623 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE A 623 " --> pdb=" O ILE A 604 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N THR A 606 " --> pdb=" O MET A 621 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N MET A 621 " --> pdb=" O THR A 606 " (cutoff:3.500A) removed outlier: 5.654A pdb=" N SER A 608 " --> pdb=" O MET A 619 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N MET A 619 " --> pdb=" O SER A 608 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'A' and resid 805 through 809 removed outlier: 4.265A pdb=" N THR C 231 " --> pdb=" O PRO A 722 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N GLY C 215 " --> pdb=" O VAL C 232 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'B' and resid 47 through 48 removed outlier: 7.849A pdb=" N SER B 87 " --> pdb=" O ALA B 82 " (cutoff:3.500A) removed outlier: 5.297A pdb=" N ALA B 82 " --> pdb=" O SER B 87 " (cutoff:3.500A) removed outlier: 6.990A pdb=" N SER B 89 " --> pdb=" O THR B 80 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N THR B 80 " --> pdb=" O SER B 89 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N SER B 91 " --> pdb=" O MET B 78 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N MET B 78 " --> pdb=" O SER B 91 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N THR B 93 " --> pdb=" O ASP B 76 " (cutoff:3.500A) removed outlier: 12.555A pdb=" N GLN B 812 " --> pdb=" O GLU B 823 " (cutoff:3.500A) removed outlier: 9.309A pdb=" N GLU B 823 " --> pdb=" O GLN B 812 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N VAL B 814 " --> pdb=" O ALA B 821 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N TYR B 819 " --> pdb=" O PHE B 816 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'B' and resid 130 through 131 removed outlier: 7.849A pdb=" N SER B 87 " --> pdb=" O ALA B 82 " (cutoff:3.500A) removed outlier: 5.297A pdb=" N ALA B 82 " --> pdb=" O SER B 87 " (cutoff:3.500A) removed outlier: 6.990A pdb=" N SER B 89 " --> pdb=" O THR B 80 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N THR B 80 " --> pdb=" O SER B 89 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N SER B 91 " --> pdb=" O MET B 78 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N MET B 78 " --> pdb=" O SER B 91 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N THR B 93 " --> pdb=" O ASP B 76 " (cutoff:3.500A) removed outlier: 12.555A pdb=" N GLN B 812 " --> pdb=" O GLU B 823 " (cutoff:3.500A) removed outlier: 9.309A pdb=" N GLU B 823 " --> pdb=" O GLN B 812 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N VAL B 814 " --> pdb=" O ALA B 821 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N TYR B 819 " --> pdb=" O PHE B 816 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 170 through 176 removed outlier: 6.786A pdb=" N MET B 290 " --> pdb=" O GLY B 171 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N VAL B 173 " --> pdb=" O ALA B 288 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA B 288 " --> pdb=" O VAL B 173 " (cutoff:3.500A) removed outlier: 5.016A pdb=" N LEU B 175 " --> pdb=" O GLY B 286 " (cutoff:3.500A) removed outlier: 7.425A pdb=" N GLY B 286 " --> pdb=" O LEU B 175 " (cutoff:3.500A) removed outlier: 5.230A pdb=" N LEU B 291 " --> pdb=" O PHE B 136 " (cutoff:3.500A) removed outlier: 5.907A pdb=" N PHE B 136 " --> pdb=" O LEU B 291 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'B' and resid 170 through 176 removed outlier: 6.786A pdb=" N MET B 290 " --> pdb=" O GLY B 171 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N VAL B 173 " --> pdb=" O ALA B 288 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA B 288 " --> pdb=" O VAL B 173 " (cutoff:3.500A) removed outlier: 5.016A pdb=" N LEU B 175 " --> pdb=" O GLY B 286 " (cutoff:3.500A) removed outlier: 7.425A pdb=" N GLY B 286 " --> pdb=" O LEU B 175 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N THR B 284 " --> pdb=" O THR B 277 " (cutoff:3.500A) removed outlier: 4.970A pdb=" N THR B 277 " --> pdb=" O THR B 284 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N SER B 276 " --> pdb=" O SER B 608 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'B' and resid 264 through 270 removed outlier: 3.527A pdb=" N LYS B 265 " --> pdb=" O TRP B 185 " (cutoff:3.500A) removed outlier: 7.530A pdb=" N ARG B 180 " --> pdb=" O LEU B 765 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N ARG B 767 " --> pdb=" O ARG B 180 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG B 764 " --> pdb=" O ASN B 761 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N SER B 757 " --> pdb=" O VAL B 768 " (cutoff:3.500A) removed outlier: 7.018A pdb=" N VAL B 770 " --> pdb=" O TYR B 755 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N TYR B 755 " --> pdb=" O VAL B 770 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'B' and resid 215 through 217 removed outlier: 4.285A pdb=" N GLY B 215 " --> pdb=" O VAL B 232 " (cutoff:3.500A) removed outlier: 6.316A pdb=" N THR B 231 " --> pdb=" O LEU C 724 " (cutoff:3.500A) removed outlier: 7.740A pdb=" N ILE C 726 " --> pdb=" O THR B 231 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N THR B 233 " --> pdb=" O ILE C 726 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'B' and resid 248 through 250 removed outlier: 7.097A pdb=" N ILE B 258 " --> pdb=" O LEU B 249 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'B' and resid 788 through 789 Processing sheet with id=AB8, first strand: chain 'C' and resid 128 through 130 removed outlier: 4.068A pdb=" N SER C 87 " --> pdb=" O ASP C 83 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP C 83 " --> pdb=" O SER C 87 " (cutoff:3.500A) removed outlier: 11.834A pdb=" N GLN C 812 " --> pdb=" O GLU C 823 " (cutoff:3.500A) removed outlier: 9.240A pdb=" N GLU C 823 " --> pdb=" O GLN C 812 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N VAL C 814 " --> pdb=" O ALA C 821 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N TYR C 819 " --> pdb=" O PHE C 816 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'C' and resid 128 through 130 removed outlier: 4.068A pdb=" N SER C 87 " --> pdb=" O ASP C 83 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP C 83 " --> pdb=" O SER C 87 " (cutoff:3.500A) removed outlier: 11.834A pdb=" N GLN C 812 " --> pdb=" O GLU C 823 " (cutoff:3.500A) removed outlier: 9.240A pdb=" N GLU C 823 " --> pdb=" O GLN C 812 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N VAL C 814 " --> pdb=" O ALA C 821 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N TYR C 819 " --> pdb=" O PHE C 816 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'C' and resid 170 through 175 removed outlier: 6.856A pdb=" N MET C 290 " --> pdb=" O GLY C 171 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N VAL C 173 " --> pdb=" O ALA C 288 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N ALA C 288 " --> pdb=" O VAL C 173 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N LEU C 175 " --> pdb=" O GLY C 286 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N GLY C 286 " --> pdb=" O LEU C 175 " (cutoff:3.500A) removed outlier: 6.007A pdb=" N THR C 285 " --> pdb=" O MET C 141 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N MET C 141 " --> pdb=" O THR C 285 " (cutoff:3.500A) removed outlier: 5.974A pdb=" N MET C 287 " --> pdb=" O ILE C 139 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N ILE C 139 " --> pdb=" O MET C 287 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N VAL C 289 " --> pdb=" O LEU C 137 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N LEU C 291 " --> pdb=" O ASN C 135 " (cutoff:3.500A) removed outlier: 6.945A pdb=" N ASN C 135 " --> pdb=" O LEU C 291 " (cutoff:3.500A) removed outlier: 8.439A pdb=" N LEU C 137 " --> pdb=" O ASP C 326 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N ASP C 326 " --> pdb=" O LEU C 137 " (cutoff:3.500A) removed outlier: 7.155A pdb=" N ILE C 139 " --> pdb=" O PRO C 324 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'C' and resid 264 through 270 removed outlier: 8.532A pdb=" N ARG C 180 " --> pdb=" O LEU C 765 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG C 767 " --> pdb=" O ARG C 180 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N SER C 757 " --> pdb=" O VAL C 768 " (cutoff:3.500A) removed outlier: 6.864A pdb=" N VAL C 770 " --> pdb=" O TYR C 755 " (cutoff:3.500A) removed outlier: 5.508A pdb=" N TYR C 755 " --> pdb=" O VAL C 770 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'C' and resid 248 through 251 removed outlier: 6.534A pdb=" N ILE C 258 " --> pdb=" O LEU C 249 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'C' and resid 282 through 283 removed outlier: 3.502A pdb=" N VAL C 282 " --> pdb=" O LEU C 279 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ILE C 625 " --> pdb=" O GLU C 602 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N ILE C 604 " --> pdb=" O PHE C 623 " (cutoff:3.500A) removed outlier: 6.236A pdb=" N PHE C 623 " --> pdb=" O ILE C 604 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'C' and resid 282 through 283 removed outlier: 3.502A pdb=" N VAL C 282 " --> pdb=" O LEU C 279 " (cutoff:3.500A) removed outlier: 5.756A pdb=" N MET C 619 " --> pdb=" O GLY C 609 " (cutoff:3.500A) removed outlier: 9.810A pdb=" N SER C 611 " --> pdb=" O GLN C 617 " (cutoff:3.500A) removed outlier: 10.155A pdb=" N GLN C 617 " --> pdb=" O SER C 611 " (cutoff:3.500A) 1536 hydrogen bonds defined for protein. 4497 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: 7.15 Time building geometry restraints manager: 2.72 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.82 - 1.02: 4959 1.02 - 1.21: 63 1.21 - 1.41: 9424 1.41 - 1.61: 14747 1.61 - 1.81: 281 Bond restraints: 29474 Sorted by residual: bond pdb=" C8 PTY C1106 " pdb=" O7 PTY C1106 " ideal model delta sigma weight residual 1.331 1.183 0.148 2.00e-02 2.50e+03 5.44e+01 bond pdb=" C30 PTY B1103 " pdb=" O4 PTY B1103 " ideal model delta sigma weight residual 1.331 1.184 0.147 2.00e-02 2.50e+03 5.42e+01 bond pdb=" ND2 ASN B 135 " pdb="HD21 ASN B 135 " ideal model delta sigma weight residual 0.860 0.982 -0.122 2.00e-02 2.50e+03 3.69e+01 bond pdb=" ND2 ASN B 672 " pdb="HD21 ASN B 672 " ideal model delta sigma weight residual 0.860 0.981 -0.121 2.00e-02 2.50e+03 3.65e+01 bond pdb=" ND2 ASN A 679 " pdb="HD21 ASN A 679 " ideal model delta sigma weight residual 0.860 0.981 -0.121 2.00e-02 2.50e+03 3.65e+01 ... (remaining 29469 not shown) Histogram of bond angle deviations from ideal: 0.00 - 3.46: 41369 3.46 - 6.92: 554 6.92 - 10.38: 61 10.38 - 13.83: 4 13.83 - 17.29: 6 Bond angle restraints: 41994 Sorted by residual: angle pdb=" N VAL C 756 " pdb=" CA VAL C 756 " pdb=" C VAL C 756 " ideal model delta sigma weight residual 110.72 121.62 -10.90 1.01e+00 9.80e-01 1.16e+02 angle pdb=" N SER A 143 " pdb=" CA SER A 143 " pdb=" C SER A 143 " ideal model delta sigma weight residual 111.17 124.20 -13.03 1.41e+00 5.03e-01 8.53e+01 angle pdb=" N VAL A 61 " pdb=" CA VAL A 61 " pdb=" C VAL A 61 " ideal model delta sigma weight residual 111.56 119.43 -7.87 8.60e-01 1.35e+00 8.37e+01 angle pdb=" N VAL A 756 " pdb=" CA VAL A 756 " pdb=" C VAL A 756 " ideal model delta sigma weight residual 111.67 119.76 -8.09 9.50e-01 1.11e+00 7.25e+01 angle pdb=" N THR A 712 " pdb=" CA THR A 712 " pdb=" C THR A 712 " ideal model delta sigma weight residual 111.36 119.80 -8.44 1.09e+00 8.42e-01 6.00e+01 ... (remaining 41989 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 33.96: 18154 33.96 - 67.91: 574 67.91 - 101.87: 30 101.87 - 135.82: 7 135.82 - 169.78: 2 Dihedral angle restraints: 18767 sinusoidal: 9827 harmonic: 8940 Sorted by residual: dihedral pdb=" CB CYS D 120 " pdb=" SG CYS D 120 " pdb=" SG CYS D 128 " pdb=" CB CYS D 128 " ideal model delta sinusoidal sigma weight residual -86.00 -127.02 41.02 1 1.00e+01 1.00e-02 2.36e+01 dihedral pdb=" C3 PTY B1101 " pdb=" O11 PTY B1101 " pdb=" P1 PTY B1101 " pdb=" O12 PTY B1101 " ideal model delta sinusoidal sigma weight residual 300.23 130.45 169.78 1 3.00e+01 1.11e-03 2.12e+01 dihedral pdb=" N1 PTY A1105 " pdb=" C2 PTY A1105 " pdb=" C3 PTY A1105 " pdb=" O11 PTY A1105 " ideal model delta sinusoidal sigma weight residual 65.33 -126.48 -168.19 1 3.00e+01 1.11e-03 2.11e+01 ... (remaining 18764 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.098: 3577 0.098 - 0.196: 225 0.196 - 0.294: 25 0.294 - 0.392: 10 0.392 - 0.490: 2 Chirality restraints: 3839 Sorted by residual: chirality pdb=" CA LEU C 654 " pdb=" N LEU C 654 " pdb=" C LEU C 654 " pdb=" CB LEU C 654 " both_signs ideal model delta sigma weight residual False 2.51 2.02 0.49 2.00e-01 2.50e+01 5.99e+00 chirality pdb=" CA LEU B 220 " pdb=" N LEU B 220 " pdb=" C LEU B 220 " pdb=" CB LEU B 220 " both_signs ideal model delta sigma weight residual False 2.51 2.09 0.42 2.00e-01 2.50e+01 4.51e+00 chirality pdb=" CA ASP C 99 " pdb=" N ASP C 99 " pdb=" C ASP C 99 " pdb=" CB ASP C 99 " both_signs ideal model delta sigma weight residual False 2.51 2.12 0.39 2.00e-01 2.50e+01 3.74e+00 ... (remaining 3836 not shown) Planarity restraints: 7093 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB ASN A 514 " 0.288 2.00e-02 2.50e+03 3.17e-01 1.51e+03 pdb=" CG ASN A 514 " -0.023 2.00e-02 2.50e+03 pdb=" OD1 ASN A 514 " -0.281 2.00e-02 2.50e+03 pdb=" ND2 ASN A 514 " 0.004 2.00e-02 2.50e+03 pdb="HD21 ASN A 514 " -0.463 2.00e-02 2.50e+03 pdb="HD22 ASN A 514 " 0.475 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CG GLN B 859 " 0.215 2.00e-02 2.50e+03 2.64e-01 1.05e+03 pdb=" CD GLN B 859 " -0.014 2.00e-02 2.50e+03 pdb=" OE1 GLN B 859 " -0.214 2.00e-02 2.50e+03 pdb=" NE2 GLN B 859 " 0.008 2.00e-02 2.50e+03 pdb="HE21 GLN B 859 " -0.402 2.00e-02 2.50e+03 pdb="HE22 GLN B 859 " 0.407 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CG GLN C 869 " 0.216 2.00e-02 2.50e+03 2.62e-01 1.03e+03 pdb=" CD GLN C 869 " -0.017 2.00e-02 2.50e+03 pdb=" OE1 GLN C 869 " -0.210 2.00e-02 2.50e+03 pdb=" NE2 GLN C 869 " 0.005 2.00e-02 2.50e+03 pdb="HE21 GLN C 869 " -0.397 2.00e-02 2.50e+03 pdb="HE22 GLN C 869 " 0.404 2.00e-02 2.50e+03 ... (remaining 7090 not shown) Histogram of nonbonded interaction distances: 1.63 - 2.23: 358 2.23 - 2.82: 22338 2.82 - 3.41: 49582 3.41 - 4.01: 65187 4.01 - 4.60: 97064 Nonbonded interactions: 234529 Sorted by model distance: nonbonded pdb=" OE2 GLU B 412 " pdb="HH21 ARG B 980 " model vdw 1.634 2.450 nonbonded pdb=" O LEU A 707 " pdb=" H ALA A 829 " model vdw 1.641 2.450 nonbonded pdb=" O ASN A 293 " pdb=" HG SER A 294 " model vdw 1.672 2.450 nonbonded pdb="HH22 ARG C 158 " pdb=" O ASN C 761 " model vdw 1.673 2.450 nonbonded pdb="HH22 ARG B 158 " pdb=" O ASN B 761 " model vdw 1.675 2.450 ... (remaining 234524 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: 0.00 Found NCS groups: ncs_group { reference = (chain 'A' and (resid 1 through 184 or (resid 185 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 186 through 219 or \ (resid 220 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2)) or resid 221 through 320 or (resid 321 and (name N or nam \ e CA or name C or name O or name CB or name CG or name CD1 or name CD2 or name N \ E1 or name CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 322 th \ rough 444 or resid 446 through 477 or (resid 478 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name CE2 or name CZ \ or name H )) or resid 479 through 519 or (resid 520 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 521 through 628 \ or (resid 629 and (name N or name CA or name C or name O or name CB or name CG \ or name CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name \ CZ3 or name CH2 or name H or name HB3 or name HE1)) or resid 630 through 855 or \ (resid 856 and (name N or name CA or name C or name O or name CB or name CG or n \ ame CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 857 through 891 or (resid 892 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2 or name H or name HB2 or n \ ame HE1)) or resid 893 through 917 or (resid 918 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2)) or resid 919 through \ 1040 or (resid 1107 and (name C13 or name C14 or name C15 or name C16 or name C \ 17 or name C18 or name C19)) or (resid 1109 and (name C11 or name C12 or name C1 \ 3 or name C14 or name C15 or name C16 or name C17 or name C18 or name C19 or nam \ e C20 or name C21 or name C22 or name C23 or name C24 or name C25 or name C26 or \ name C27 or name C28 or name C29)))) selection = (chain 'B' and (resid 1 through 184 or (resid 185 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 186 through 219 or \ (resid 220 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2)) or resid 221 through 444 or resid 446 through 477 or (res \ id 478 and (name N or name CA or name C or name O or name CB or name CG or name \ CD1 or name CD2 or name CE2 or name CZ or name H )) or resid 479 through 519 or \ (resid 520 and (name N or name CA or name C or name O or name CB or name CG or n \ ame CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 521 through 628 or (resid 629 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2 or name H or name HB3 or n \ ame HE1)) or resid 630 through 805 or (resid 806 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name CE \ 2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 807 through 1040 or \ (resid 1101 and (name C13 or name C14 or name C15 or name C16 or name C17 or na \ me C18 or name C19)) or (resid 1103 and (name C11 or name C12 or name C13 or nam \ e C14 or name C15 or name C16 or name C17 or name C18 or name C19 or name C20 or \ name C21 or name C22 or name C23 or name C24 or name C25 or name C26 or name C2 \ 7 or name C28 or name C29)))) selection = (chain 'C' and (resid 1 through 320 or (resid 321 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 322 through 805 or \ (resid 806 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 807 through 855 or (resid 856 and (name N or name CA or \ name C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or na \ me CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 857 through 91 \ 7 or (resid 918 and (name N or name CA or name C or name O or name CB or name CG \ or name CD1 or name CD2)) or resid 919 through 1040 or (resid 1107 and (name C1 \ 3 or name C14 or name C15 or name C16 or name C17 or name C18 or name C19)) or ( \ resid 1109 and (name C11 or name C12 or name C13 or name C14 or name C15 or name \ C16 or name C17 or name C18 or name C19 or name C20 or name C21 or name C22 or \ name C23 or name C24 or name C25 or name C26 or name C27 or name C28 or name C29 \ )))) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.280 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.170 Extract box with map and model: 0.470 Check model and map are aligned: 0.100 Set scattering table: 0.100 Process input model: 26.540 Find NCS groups from input model: 0.700 Set up NCS constraints: 0.050 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:9.090 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 39.510 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8035 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.148 24516 Z= 0.338 Angle : 0.969 17.293 33042 Z= 0.531 Chirality : 0.055 0.490 3839 Planarity : 0.004 0.052 4147 Dihedral : 15.988 169.778 9079 Min Nonbonded Distance : 2.211 Molprobity Statistics. All-atom Clashscore : 14.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.68 % Favored : 95.32 % Rotamer: Outliers : 3.07 % Allowed : 16.08 % Favored : 80.85 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: -1.69 (0.14), residues: 3120 helix: -0.14 (0.12), residues: 1687 sheet: -2.02 (0.22), residues: 466 loop : -2.21 (0.18), residues: 967 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG A 764 TYR 0.010 0.001 TYR B 889 PHE 0.019 0.001 PHE A 457 TRP 0.013 0.001 TRP B1016 HIS 0.002 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00588 (24515) covalent geometry : angle 0.96880 (33040) SS BOND : bond 0.00114 ( 1) SS BOND : angle 0.40756 ( 2) hydrogen bonds : bond 0.16120 ( 1484) hydrogen bonds : angle 6.73242 ( 4497) *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 495 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 77 poor density : 418 time to evaluate : 1.155 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 354 TYR cc_start: 0.8160 (t80) cc_final: 0.7878 (t80) REVERT: A 364 LEU cc_start: 0.8488 (mt) cc_final: 0.8283 (mm) REVERT: A 415 GLU cc_start: 0.7868 (OUTLIER) cc_final: 0.7667 (tm-30) REVERT: A 466 LYS cc_start: 0.8177 (tttt) cc_final: 0.7933 (tttp) REVERT: A 554 MET cc_start: 0.7761 (mtt) cc_final: 0.7468 (mtp) REVERT: A 621 MET cc_start: 0.8678 (ptt) cc_final: 0.8296 (ptm) REVERT: A 769 MET cc_start: 0.9033 (mtt) cc_final: 0.8501 (mtm) REVERT: A 792 SER cc_start: 0.8654 (OUTLIER) cc_final: 0.8361 (m) REVERT: A 808 MET cc_start: 0.8738 (OUTLIER) cc_final: 0.8439 (mmm) REVERT: A 838 MET cc_start: 0.8224 (mtt) cc_final: 0.7950 (mtm) REVERT: A 843 LYS cc_start: 0.8454 (ttpt) cc_final: 0.8136 (tttm) REVERT: A 973 GLU cc_start: 0.6735 (tt0) cc_final: 0.6343 (tp30) REVERT: A 1038 LYS cc_start: 0.7818 (tttt) cc_final: 0.7609 (tttm) REVERT: A 1039 PHE cc_start: 0.7353 (t80) cc_final: 0.7007 (t80) REVERT: B 298 MET cc_start: 0.8470 (mtp) cc_final: 0.8200 (mtm) REVERT: B 340 HIS cc_start: 0.7428 (m-70) cc_final: 0.7044 (m90) REVERT: B 384 MET cc_start: 0.8809 (mmm) cc_final: 0.8593 (mmp) REVERT: B 496 LYS cc_start: 0.8366 (mttt) cc_final: 0.8092 (mttm) REVERT: B 570 MET cc_start: 0.8306 (ttp) cc_final: 0.8095 (ttp) REVERT: B 808 MET cc_start: 0.8377 (mmm) cc_final: 0.8123 (tpp) REVERT: B 846 ASP cc_start: 0.7557 (m-30) cc_final: 0.7295 (m-30) REVERT: C 57 MET cc_start: 0.8236 (tpp) cc_final: 0.7844 (tpt) REVERT: C 210 ILE cc_start: 0.8783 (tt) cc_final: 0.8477 (tp) REVERT: C 393 MET cc_start: 0.8554 (mmp) cc_final: 0.7728 (mmp) REVERT: C 433 MET cc_start: 0.8393 (mmm) cc_final: 0.8119 (mmm) REVERT: C 527 ARG cc_start: 0.6349 (mtt180) cc_final: 0.5588 (mmp80) REVERT: C 619 MET cc_start: 0.9136 (mmt) cc_final: 0.8884 (mmm) REVERT: C 838 MET cc_start: 0.8797 (mtp) cc_final: 0.8476 (mtm) REVERT: C 920 GLU cc_start: 0.7557 (mt-10) cc_final: 0.7348 (mm-30) outliers start: 77 outliers final: 34 residues processed: 479 average time/residue: 0.7521 time to fit residues: 414.2686 Evaluate side-chains 354 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 37 poor density : 317 time to evaluate : 0.952 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain A residue 360 ILE Chi-restraints excluded: chain A residue 369 VAL Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 792 SER Chi-restraints excluded: chain A residue 799 SER Chi-restraints excluded: chain A residue 808 MET Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 832 VAL Chi-restraints excluded: chain B residue 111 LEU Chi-restraints excluded: chain B residue 217 ILE Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 485 THR Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 721 SER Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 841 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 334 SER Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 531 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 804 VAL Chi-restraints excluded: chain C residue 1006 SER Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 197 optimal weight: 4.9990 chunk 215 optimal weight: 4.9990 chunk 20 optimal weight: 0.8980 chunk 132 optimal weight: 2.9990 chunk 261 optimal weight: 5.9990 chunk 248 optimal weight: 0.9990 chunk 207 optimal weight: 0.9980 chunk 155 optimal weight: 4.9990 chunk 244 optimal weight: 1.9990 chunk 183 optimal weight: 7.9990 chunk 298 optimal weight: 2.9990 overall best weight: 1.5786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 193 ASN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 936 GLN B 317 GLN B 463 ASN B 593 GLN B 762 GLN B 807 GLN B 869 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 593 GLN C 812 GLN C 963 GLN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3469 r_free = 0.3469 target = 0.126725 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3160 r_free = 0.3160 target = 0.102667 restraints weight = 41674.073| |-----------------------------------------------------------------------------| r_work (start): 0.3153 rms_B_bonded: 1.73 r_work: 0.3026 rms_B_bonded: 2.40 restraints_weight: 0.5000 r_work: 0.2890 rms_B_bonded: 4.05 restraints_weight: 0.2500 r_work (final): 0.2890 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8284 moved from start: 0.1686 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.050 24516 Z= 0.158 Angle : 0.487 6.053 33042 Z= 0.263 Chirality : 0.040 0.141 3839 Planarity : 0.004 0.042 4147 Dihedral : 11.067 175.403 3885 Min Nonbonded Distance : 2.228 Molprobity Statistics. All-atom Clashscore : 15.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.33 % Favored : 96.67 % Rotamer: Outliers : 3.91 % Allowed : 20.15 % Favored : 75.94 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: -0.16 (0.15), residues: 3120 helix: 1.24 (0.12), residues: 1711 sheet: -1.39 (0.23), residues: 484 loop : -1.88 (0.19), residues: 925 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG B 158 TYR 0.016 0.001 TYR C 77 PHE 0.013 0.001 PHE C 11 TRP 0.014 0.001 TRP B1016 HIS 0.004 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00355 (24515) covalent geometry : angle 0.48673 (33040) SS BOND : bond 0.00135 ( 1) SS BOND : angle 0.35413 ( 2) hydrogen bonds : bond 0.04975 ( 1484) hydrogen bonds : angle 4.67819 ( 4497) *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 439 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 98 poor density : 341 time to evaluate : 0.855 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8852 (OUTLIER) cc_final: 0.7634 (tp-100) REVERT: A 307 ARG cc_start: 0.8038 (tpp80) cc_final: 0.7770 (ttm-80) REVERT: A 354 TYR cc_start: 0.8071 (t80) cc_final: 0.7826 (t80) REVERT: A 364 LEU cc_start: 0.8437 (mt) cc_final: 0.8226 (mm) REVERT: A 415 GLU cc_start: 0.7966 (OUTLIER) cc_final: 0.7316 (pp20) REVERT: A 466 LYS cc_start: 0.8295 (tttt) cc_final: 0.7993 (tttp) REVERT: A 628 ASP cc_start: 0.8203 (OUTLIER) cc_final: 0.7959 (t70) REVERT: A 752 SER cc_start: 0.8109 (OUTLIER) cc_final: 0.7788 (m) REVERT: A 838 MET cc_start: 0.8309 (mtt) cc_final: 0.8002 (mtm) REVERT: A 843 LYS cc_start: 0.8605 (ttpt) cc_final: 0.8333 (tttm) REVERT: A 973 GLU cc_start: 0.7092 (tt0) cc_final: 0.6319 (tp30) REVERT: A 1038 LYS cc_start: 0.7982 (tttt) cc_final: 0.7606 (tttm) REVERT: A 1039 PHE cc_start: 0.7637 (t80) cc_final: 0.7275 (t80) REVERT: B 287 MET cc_start: 0.9265 (mtm) cc_final: 0.9041 (mtm) REVERT: B 346 MET cc_start: 0.7909 (OUTLIER) cc_final: 0.6852 (mpp) REVERT: B 496 LYS cc_start: 0.8280 (mttt) cc_final: 0.8004 (mttp) REVERT: B 518 ASP cc_start: 0.7507 (t70) cc_final: 0.7296 (m-30) REVERT: B 570 MET cc_start: 0.8851 (ttp) cc_final: 0.8538 (ttm) REVERT: B 808 MET cc_start: 0.9014 (mmm) cc_final: 0.8695 (tpp) REVERT: B 945 LEU cc_start: 0.8332 (OUTLIER) cc_final: 0.8088 (mt) REVERT: C 49 TYR cc_start: 0.8142 (t80) cc_final: 0.7940 (t80) REVERT: C 203 SER cc_start: 0.8070 (m) cc_final: 0.7795 (p) REVERT: C 210 ILE cc_start: 0.8831 (tt) cc_final: 0.8541 (tp) REVERT: C 527 ARG cc_start: 0.6686 (mtt180) cc_final: 0.5714 (mmp80) REVERT: C 769 MET cc_start: 0.9431 (OUTLIER) cc_final: 0.8700 (mtm) REVERT: C 838 MET cc_start: 0.9126 (mtp) cc_final: 0.8884 (mtm) REVERT: C 876 LEU cc_start: 0.8760 (OUTLIER) cc_final: 0.8542 (mp) REVERT: C 899 LEU cc_start: 0.8865 (OUTLIER) cc_final: 0.8651 (tp) REVERT: C 920 GLU cc_start: 0.7979 (mt-10) cc_final: 0.7759 (mm-30) outliers start: 98 outliers final: 51 residues processed: 403 average time/residue: 0.7632 time to fit residues: 352.2001 Evaluate side-chains 383 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 60 poor density : 323 time to evaluate : 0.777 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 984 MET Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1026 VAL Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 97 ASP Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 718 LEU Chi-restraints excluded: chain B residue 773 ASP Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 945 LEU Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 564 GLU Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 876 LEU Chi-restraints excluded: chain C residue 899 LEU Chi-restraints excluded: chain C residue 928 SER Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 251 optimal weight: 0.9980 chunk 54 optimal weight: 7.9990 chunk 270 optimal weight: 0.0170 chunk 134 optimal weight: 3.9990 chunk 6 optimal weight: 2.9990 chunk 243 optimal weight: 2.9990 chunk 153 optimal weight: 5.9990 chunk 129 optimal weight: 4.9990 chunk 110 optimal weight: 2.9990 chunk 266 optimal weight: 2.9990 chunk 294 optimal weight: 5.9990 overall best weight: 2.0024 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 34 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 283 ASN B 317 GLN B 593 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3498 r_free = 0.3498 target = 0.128129 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3188 r_free = 0.3188 target = 0.104189 restraints weight = 41838.863| |-----------------------------------------------------------------------------| r_work (start): 0.3174 rms_B_bonded: 1.70 r_work: 0.3040 rms_B_bonded: 2.38 restraints_weight: 0.5000 r_work: 0.2907 rms_B_bonded: 4.00 restraints_weight: 0.2500 r_work (final): 0.2907 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8369 moved from start: 0.2270 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.036 24516 Z= 0.179 Angle : 0.491 5.832 33042 Z= 0.262 Chirality : 0.041 0.145 3839 Planarity : 0.004 0.052 4147 Dihedral : 10.545 168.604 3848 Min Nonbonded Distance : 2.272 Molprobity Statistics. All-atom Clashscore : 14.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.72 % Favored : 96.28 % Rotamer: Outliers : 5.35 % Allowed : 19.99 % Favored : 74.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.51 (0.15), residues: 3120 helix: 1.76 (0.12), residues: 1708 sheet: -0.86 (0.24), residues: 470 loop : -1.67 (0.19), residues: 942 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.008 0.000 ARG B 683 TYR 0.011 0.001 TYR B 354 PHE 0.017 0.001 PHE C 11 TRP 0.011 0.001 TRP B 856 HIS 0.003 0.001 HIS A 340 Details of bonding type rmsd covalent geometry : bond 0.00418 (24515) covalent geometry : angle 0.49121 (33040) SS BOND : bond 0.00155 ( 1) SS BOND : angle 0.75172 ( 2) hydrogen bonds : bond 0.05270 ( 1484) hydrogen bonds : angle 4.48305 ( 4497) *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 466 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 134 poor density : 332 time to evaluate : 0.893 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 58 GLU cc_start: 0.8295 (OUTLIER) cc_final: 0.7984 (tt0) REVERT: A 141 MET cc_start: 0.8852 (OUTLIER) cc_final: 0.8020 (mmt) REVERT: A 237 GLN cc_start: 0.8974 (OUTLIER) cc_final: 0.8585 (mt0) REVERT: A 415 GLU cc_start: 0.8007 (OUTLIER) cc_final: 0.7289 (pp20) REVERT: A 466 LYS cc_start: 0.8435 (tttt) cc_final: 0.8137 (tttp) REVERT: A 628 ASP cc_start: 0.8183 (OUTLIER) cc_final: 0.7915 (t70) REVERT: A 752 SER cc_start: 0.8153 (OUTLIER) cc_final: 0.7755 (m) REVERT: A 838 MET cc_start: 0.8429 (mtt) cc_final: 0.8089 (mtm) REVERT: A 839 GLU cc_start: 0.7787 (tt0) cc_final: 0.6907 (mp0) REVERT: A 843 LYS cc_start: 0.8718 (ttpt) cc_final: 0.8447 (tttm) REVERT: A 846 ASP cc_start: 0.8586 (m-30) cc_final: 0.8329 (m-30) REVERT: A 942 VAL cc_start: 0.8821 (OUTLIER) cc_final: 0.8409 (m) REVERT: A 945 LEU cc_start: 0.8653 (OUTLIER) cc_final: 0.8082 (mt) REVERT: A 955 GLU cc_start: 0.7991 (tp30) cc_final: 0.7415 (tm-30) REVERT: A 973 GLU cc_start: 0.7217 (tt0) cc_final: 0.6528 (tp30) REVERT: A 1038 LYS cc_start: 0.8010 (tttt) cc_final: 0.7653 (tttm) REVERT: A 1039 PHE cc_start: 0.7728 (t80) cc_final: 0.7393 (t80) REVERT: B 290 MET cc_start: 0.8693 (OUTLIER) cc_final: 0.7988 (mtt) REVERT: B 322 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8656 (ttmt) REVERT: B 496 LYS cc_start: 0.8329 (mttt) cc_final: 0.8086 (mtmm) REVERT: B 560 PHE cc_start: 0.7679 (t80) cc_final: 0.7403 (t80) REVERT: B 570 MET cc_start: 0.8910 (ttp) cc_final: 0.8580 (ttm) REVERT: B 604 ILE cc_start: 0.8950 (OUTLIER) cc_final: 0.8734 (tt) REVERT: B 702 MET cc_start: 0.7468 (mtp) cc_final: 0.7132 (mtp) REVERT: B 727 ASP cc_start: 0.7905 (OUTLIER) cc_final: 0.7700 (m-30) REVERT: B 783 ILE cc_start: 0.8578 (OUTLIER) cc_final: 0.8302 (pt) REVERT: B 945 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8175 (mt) REVERT: C 117 THR cc_start: 0.8242 (OUTLIER) cc_final: 0.8036 (p) REVERT: C 210 ILE cc_start: 0.8975 (tt) cc_final: 0.8649 (tp) REVERT: C 229 THR cc_start: 0.9320 (OUTLIER) cc_final: 0.9115 (t) REVERT: C 527 ARG cc_start: 0.6815 (mtt180) cc_final: 0.5887 (tpm170) REVERT: C 769 MET cc_start: 0.9412 (OUTLIER) cc_final: 0.8753 (mtm) REVERT: C 876 LEU cc_start: 0.8837 (OUTLIER) cc_final: 0.8625 (mp) REVERT: C 920 GLU cc_start: 0.8046 (mt-10) cc_final: 0.7837 (mm-30) REVERT: C 937 VAL cc_start: 0.8562 (OUTLIER) cc_final: 0.8146 (m) outliers start: 134 outliers final: 73 residues processed: 421 average time/residue: 0.7799 time to fit residues: 377.5876 Evaluate side-chains 411 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 92 poor density : 319 time to evaluate : 0.613 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 141 MET Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 494 MET Chi-restraints excluded: chain A residue 495 LEU Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 913 VAL Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 945 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1026 VAL Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 33 SER Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 290 MET Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 604 ILE Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 718 LEU Chi-restraints excluded: chain B residue 727 ASP Chi-restraints excluded: chain B residue 783 ILE Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 945 LEU Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 117 THR Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 876 LEU Chi-restraints excluded: chain C residue 885 LEU Chi-restraints excluded: chain C residue 922 LEU Chi-restraints excluded: chain C residue 928 SER Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 113 optimal weight: 3.9990 chunk 81 optimal weight: 3.9990 chunk 210 optimal weight: 5.9990 chunk 228 optimal weight: 2.9990 chunk 183 optimal weight: 5.9990 chunk 257 optimal weight: 0.0270 chunk 95 optimal weight: 5.9990 chunk 85 optimal weight: 3.9990 chunk 77 optimal weight: 3.9990 chunk 198 optimal weight: 3.9990 chunk 64 optimal weight: 3.9990 overall best weight: 3.0046 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 389 ASN B 593 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3440 r_free = 0.3440 target = 0.123646 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 33)----------------| | r_work = 0.3127 r_free = 0.3127 target = 0.099747 restraints weight = 42079.700| |-----------------------------------------------------------------------------| r_work (start): 0.3142 rms_B_bonded: 1.71 r_work: 0.3003 rms_B_bonded: 2.42 restraints_weight: 0.5000 r_work: 0.2869 rms_B_bonded: 4.04 restraints_weight: 0.2500 r_work (final): 0.2869 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8415 moved from start: 0.2547 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.037 24516 Z= 0.250 Angle : 0.552 9.227 33042 Z= 0.292 Chirality : 0.043 0.156 3839 Planarity : 0.004 0.064 4147 Dihedral : 10.829 169.340 3847 Min Nonbonded Distance : 2.256 Molprobity Statistics. All-atom Clashscore : 13.83 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.26 % Favored : 95.74 % Rotamer: Outliers : 5.71 % Allowed : 20.43 % Favored : 73.86 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.53 (0.15), residues: 3120 helix: 1.71 (0.12), residues: 1711 sheet: -0.80 (0.24), residues: 507 loop : -1.61 (0.20), residues: 902 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG A 67 TYR 0.011 0.002 TYR C 77 PHE 0.020 0.002 PHE C 11 TRP 0.011 0.002 TRP B 856 HIS 0.004 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00598 (24515) covalent geometry : angle 0.55246 (33040) SS BOND : bond 0.00271 ( 1) SS BOND : angle 0.69354 ( 2) hydrogen bonds : bond 0.05817 ( 1484) hydrogen bonds : angle 4.58226 ( 4497) *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 460 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 143 poor density : 317 time to evaluate : 0.773 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8780 (OUTLIER) cc_final: 0.8085 (tt0) REVERT: A 58 GLU cc_start: 0.8380 (OUTLIER) cc_final: 0.8066 (tt0) REVERT: A 133 ARG cc_start: 0.8198 (mtt90) cc_final: 0.7847 (mmt-90) REVERT: A 466 LYS cc_start: 0.8481 (tttt) cc_final: 0.8154 (tttp) REVERT: A 524 TYR cc_start: 0.8108 (t80) cc_final: 0.7899 (t80) REVERT: A 628 ASP cc_start: 0.8130 (OUTLIER) cc_final: 0.7843 (t70) REVERT: A 838 MET cc_start: 0.8415 (mtt) cc_final: 0.8027 (mtm) REVERT: A 843 LYS cc_start: 0.8764 (ttpt) cc_final: 0.8482 (tttm) REVERT: A 945 LEU cc_start: 0.8696 (OUTLIER) cc_final: 0.8116 (mt) REVERT: A 973 GLU cc_start: 0.7291 (tt0) cc_final: 0.6581 (tp30) REVERT: A 1038 LYS cc_start: 0.8018 (tttt) cc_final: 0.7665 (tttm) REVERT: B 168 GLU cc_start: 0.8760 (OUTLIER) cc_final: 0.8442 (tt0) REVERT: B 290 MET cc_start: 0.8798 (OUTLIER) cc_final: 0.8072 (mtt) REVERT: B 346 MET cc_start: 0.8087 (OUTLIER) cc_final: 0.6991 (mpp) REVERT: B 496 LYS cc_start: 0.8366 (mttt) cc_final: 0.8041 (mttm) REVERT: B 518 ASP cc_start: 0.7812 (t70) cc_final: 0.7449 (m-30) REVERT: B 570 MET cc_start: 0.8926 (ttp) cc_final: 0.8651 (ttm) REVERT: B 702 MET cc_start: 0.7498 (mtp) cc_final: 0.7175 (mtp) REVERT: B 783 ILE cc_start: 0.8548 (OUTLIER) cc_final: 0.8268 (pt) REVERT: B 945 LEU cc_start: 0.8425 (OUTLIER) cc_final: 0.8220 (mt) REVERT: C 117 THR cc_start: 0.8262 (OUTLIER) cc_final: 0.8029 (p) REVERT: C 229 THR cc_start: 0.9316 (OUTLIER) cc_final: 0.9089 (t) REVERT: C 307 ARG cc_start: 0.8744 (OUTLIER) cc_final: 0.7845 (tpt170) REVERT: C 496 LYS cc_start: 0.8534 (mtmm) cc_final: 0.8241 (mtmt) REVERT: C 527 ARG cc_start: 0.6914 (mtt180) cc_final: 0.5991 (tpm170) REVERT: C 563 THR cc_start: 0.9294 (OUTLIER) cc_final: 0.9037 (t) REVERT: C 764 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.8277 (mtp180) REVERT: C 876 LEU cc_start: 0.8833 (OUTLIER) cc_final: 0.8584 (mp) REVERT: C 937 VAL cc_start: 0.8659 (OUTLIER) cc_final: 0.8159 (m) REVERT: C 1039 PHE cc_start: 0.7565 (t80) cc_final: 0.7304 (t80) outliers start: 143 outliers final: 87 residues processed: 413 average time/residue: 0.7917 time to fit residues: 375.2089 Evaluate side-chains 415 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 103 poor density : 312 time to evaluate : 0.741 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 494 MET Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 808 MET Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 832 VAL Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 913 VAL Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 945 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 33 SER Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 97 ASP Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 290 MET Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 485 THR Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 783 ILE Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 945 LEU Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 117 THR Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 628 ASP Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 868 SER Chi-restraints excluded: chain C residue 876 LEU Chi-restraints excluded: chain C residue 885 LEU Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 35 optimal weight: 0.7980 chunk 186 optimal weight: 0.7980 chunk 269 optimal weight: 0.2980 chunk 176 optimal weight: 2.9990 chunk 156 optimal weight: 3.9990 chunk 23 optimal weight: 0.9990 chunk 132 optimal weight: 3.9990 chunk 306 optimal weight: 2.9990 chunk 151 optimal weight: 1.9990 chunk 230 optimal weight: 0.6980 chunk 36 optimal weight: 4.9990 overall best weight: 0.7182 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 593 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 104 GLN C 235 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3444 r_free = 0.3444 target = 0.125787 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 54)----------------| | r_work = 0.3134 r_free = 0.3134 target = 0.101587 restraints weight = 41899.708| |-----------------------------------------------------------------------------| r_work (start): 0.3129 rms_B_bonded: 1.78 r_work: 0.2997 rms_B_bonded: 2.47 restraints_weight: 0.5000 r_work: 0.2862 rms_B_bonded: 4.12 restraints_weight: 0.2500 r_work (final): 0.2862 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8262 moved from start: 0.2715 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.045 24516 Z= 0.097 Angle : 0.405 5.947 33042 Z= 0.220 Chirality : 0.038 0.138 3839 Planarity : 0.003 0.038 4147 Dihedral : 9.670 166.714 3844 Min Nonbonded Distance : 2.314 Molprobity Statistics. All-atom Clashscore : 15.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.88 % Favored : 97.12 % Rotamer: Outliers : 2.99 % Allowed : 22.59 % Favored : 74.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.28 (0.16), residues: 3120 helix: 2.34 (0.13), residues: 1712 sheet: -0.42 (0.25), residues: 468 loop : -1.35 (0.20), residues: 940 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.002 0.000 ARG C 416 TYR 0.010 0.001 TYR A 354 PHE 0.017 0.001 PHE A 457 TRP 0.011 0.001 TRP B1016 HIS 0.002 0.000 HIS B 503 Details of bonding type rmsd covalent geometry : bond 0.00204 (24515) covalent geometry : angle 0.40481 (33040) SS BOND : bond 0.00016 ( 1) SS BOND : angle 0.46482 ( 2) hydrogen bonds : bond 0.03914 ( 1484) hydrogen bonds : angle 4.15807 ( 4497) *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 412 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 75 poor density : 337 time to evaluate : 0.870 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 133 ARG cc_start: 0.8191 (mtt90) cc_final: 0.7743 (mmt-90) REVERT: A 237 GLN cc_start: 0.8925 (OUTLIER) cc_final: 0.8471 (mt0) REVERT: A 456 MET cc_start: 0.7574 (OUTLIER) cc_final: 0.7202 (mtm) REVERT: A 466 LYS cc_start: 0.8142 (tttt) cc_final: 0.7838 (tttp) REVERT: A 610 PHE cc_start: 0.8750 (t80) cc_final: 0.8522 (t80) REVERT: A 621 MET cc_start: 0.9017 (ptt) cc_final: 0.8808 (ptm) REVERT: A 628 ASP cc_start: 0.8081 (OUTLIER) cc_final: 0.7823 (t70) REVERT: A 838 MET cc_start: 0.8304 (mtt) cc_final: 0.7999 (mtm) REVERT: A 839 GLU cc_start: 0.7715 (tt0) cc_final: 0.6833 (mp0) REVERT: A 942 VAL cc_start: 0.8734 (p) cc_final: 0.8365 (m) REVERT: A 945 LEU cc_start: 0.8539 (mt) cc_final: 0.8018 (mt) REVERT: A 973 GLU cc_start: 0.7269 (tt0) cc_final: 0.6458 (tp30) REVERT: A 976 ARG cc_start: 0.7191 (ttp80) cc_final: 0.6901 (ttp80) REVERT: A 1038 LYS cc_start: 0.7943 (tttt) cc_final: 0.7552 (tttm) REVERT: B 496 LYS cc_start: 0.8203 (mttt) cc_final: 0.7964 (mtmm) REVERT: B 570 MET cc_start: 0.8865 (ttp) cc_final: 0.8574 (ttm) REVERT: B 783 ILE cc_start: 0.8488 (OUTLIER) cc_final: 0.8272 (pt) REVERT: C 496 LYS cc_start: 0.8411 (mtmm) cc_final: 0.8122 (mtmt) REVERT: C 527 ARG cc_start: 0.6665 (mtt180) cc_final: 0.5738 (tpm170) REVERT: C 764 ARG cc_start: 0.8621 (OUTLIER) cc_final: 0.8327 (mtp180) REVERT: C 838 MET cc_start: 0.9154 (mtp) cc_final: 0.8881 (mtm) REVERT: C 937 VAL cc_start: 0.8336 (OUTLIER) cc_final: 0.8087 (m) REVERT: C 1039 PHE cc_start: 0.7834 (t80) cc_final: 0.7472 (t80) outliers start: 75 outliers final: 34 residues processed: 384 average time/residue: 0.7748 time to fit residues: 340.4633 Evaluate side-chains 367 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 40 poor density : 327 time to evaluate : 0.863 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 456 MET Chi-restraints excluded: chain A residue 494 MET Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 808 MET Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain B residue 33 SER Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 783 ILE Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 38 optimal weight: 5.9990 chunk 301 optimal weight: 0.9990 chunk 103 optimal weight: 7.9990 chunk 166 optimal weight: 6.9990 chunk 186 optimal weight: 10.0000 chunk 123 optimal weight: 0.5980 chunk 283 optimal weight: 3.9990 chunk 293 optimal weight: 1.9990 chunk 162 optimal weight: 0.6980 chunk 74 optimal weight: 0.8980 chunk 215 optimal weight: 5.9990 overall best weight: 1.0384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3436 r_free = 0.3436 target = 0.125162 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 36)----------------| | r_work = 0.3124 r_free = 0.3124 target = 0.100943 restraints weight = 41992.080| |-----------------------------------------------------------------------------| r_work (start): 0.3120 rms_B_bonded: 1.78 r_work: 0.2988 rms_B_bonded: 2.47 restraints_weight: 0.5000 r_work: 0.2853 rms_B_bonded: 4.13 restraints_weight: 0.2500 r_work (final): 0.2853 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8270 moved from start: 0.2793 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.043 24516 Z= 0.113 Angle : 0.410 5.946 33042 Z= 0.220 Chirality : 0.038 0.138 3839 Planarity : 0.003 0.040 4147 Dihedral : 9.210 165.709 3839 Min Nonbonded Distance : 2.303 Molprobity Statistics. All-atom Clashscore : 15.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.24 % Favored : 96.76 % Rotamer: Outliers : 3.31 % Allowed : 22.59 % Favored : 74.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.55 (0.16), residues: 3120 helix: 2.56 (0.12), residues: 1712 sheet: -0.32 (0.25), residues: 470 loop : -1.21 (0.20), residues: 938 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.002 0.000 ARG B 683 TYR 0.015 0.001 TYR A 524 PHE 0.014 0.001 PHE A 509 TRP 0.010 0.001 TRP B1016 HIS 0.002 0.000 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00250 (24515) covalent geometry : angle 0.41012 (33040) SS BOND : bond 0.00054 ( 1) SS BOND : angle 0.42632 ( 2) hydrogen bonds : bond 0.04028 ( 1484) hydrogen bonds : angle 4.08765 ( 4497) *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 413 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 83 poor density : 330 time to evaluate : 0.709 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 133 ARG cc_start: 0.8211 (mtt90) cc_final: 0.7765 (mmt-90) REVERT: A 192 GLN cc_start: 0.7929 (OUTLIER) cc_final: 0.7658 (tt0) REVERT: A 237 GLN cc_start: 0.8938 (OUTLIER) cc_final: 0.8485 (mt0) REVERT: A 456 MET cc_start: 0.7537 (OUTLIER) cc_final: 0.7200 (mtm) REVERT: A 466 LYS cc_start: 0.8139 (tttt) cc_final: 0.7841 (tttp) REVERT: A 610 PHE cc_start: 0.8802 (t80) cc_final: 0.8578 (t80) REVERT: A 628 ASP cc_start: 0.8060 (OUTLIER) cc_final: 0.7797 (t70) REVERT: A 838 MET cc_start: 0.8327 (mtt) cc_final: 0.8049 (mtm) REVERT: A 839 GLU cc_start: 0.7749 (tt0) cc_final: 0.6904 (mp0) REVERT: A 919 PHE cc_start: 0.6963 (m-80) cc_final: 0.6703 (t80) REVERT: A 942 VAL cc_start: 0.8740 (p) cc_final: 0.8407 (m) REVERT: A 955 GLU cc_start: 0.7822 (tp30) cc_final: 0.7042 (tm-30) REVERT: A 973 GLU cc_start: 0.7253 (tt0) cc_final: 0.6500 (tp30) REVERT: A 976 ARG cc_start: 0.7234 (ttp80) cc_final: 0.6914 (ttp80) REVERT: A 1038 LYS cc_start: 0.7946 (tttt) cc_final: 0.7552 (tttm) REVERT: B 138 MET cc_start: 0.8979 (ttm) cc_final: 0.8607 (ttp) REVERT: B 290 MET cc_start: 0.8545 (OUTLIER) cc_final: 0.7790 (mtt) REVERT: B 322 LYS cc_start: 0.8781 (OUTLIER) cc_final: 0.8520 (ttmt) REVERT: B 496 LYS cc_start: 0.8220 (mttt) cc_final: 0.7948 (mttm) REVERT: B 570 MET cc_start: 0.8864 (ttp) cc_final: 0.8580 (ttm) REVERT: B 736 GLN cc_start: 0.7135 (OUTLIER) cc_final: 0.6009 (mp10) REVERT: C 3 LYS cc_start: 0.8648 (OUTLIER) cc_final: 0.8441 (mttp) REVERT: C 386 MET cc_start: 0.9260 (mtt) cc_final: 0.9041 (mtm) REVERT: C 496 LYS cc_start: 0.8404 (mtmm) cc_final: 0.8119 (mtmt) REVERT: C 527 ARG cc_start: 0.6686 (mtt180) cc_final: 0.5722 (tpm170) REVERT: C 764 ARG cc_start: 0.8618 (OUTLIER) cc_final: 0.8309 (mtp180) REVERT: C 838 MET cc_start: 0.9180 (mtp) cc_final: 0.8929 (mtm) REVERT: C 937 VAL cc_start: 0.8352 (OUTLIER) cc_final: 0.8119 (m) REVERT: C 1039 PHE cc_start: 0.7838 (t80) cc_final: 0.7483 (t80) outliers start: 83 outliers final: 53 residues processed: 383 average time/residue: 0.7747 time to fit residues: 340.0752 Evaluate side-chains 388 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 63 poor density : 325 time to evaluate : 0.973 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 456 MET Chi-restraints excluded: chain A residue 494 MET Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 33 SER Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 290 MET Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 406 ASP Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 736 GLN Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 621 MET Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 822 MET Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 270 optimal weight: 2.9990 chunk 126 optimal weight: 4.9990 chunk 116 optimal weight: 2.9990 chunk 169 optimal weight: 4.9990 chunk 308 optimal weight: 5.9990 chunk 260 optimal weight: 2.9990 chunk 284 optimal weight: 3.9990 chunk 181 optimal weight: 3.9990 chunk 6 optimal weight: 0.9980 chunk 220 optimal weight: 3.9990 chunk 280 optimal weight: 3.9990 overall best weight: 2.7988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 869 GLN B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 108 GLN C 211 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3383 r_free = 0.3383 target = 0.120914 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 36)----------------| | r_work = 0.3064 r_free = 0.3064 target = 0.096686 restraints weight = 41960.321| |-----------------------------------------------------------------------------| r_work (start): 0.3066 rms_B_bonded: 1.77 r_work: 0.2932 rms_B_bonded: 2.45 restraints_weight: 0.5000 r_work: 0.2797 rms_B_bonded: 4.08 restraints_weight: 0.2500 r_work (final): 0.2797 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8316 moved from start: 0.2811 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.034 24516 Z= 0.233 Angle : 0.526 7.545 33042 Z= 0.278 Chirality : 0.042 0.151 3839 Planarity : 0.004 0.054 4147 Dihedral : 9.753 169.466 3838 Min Nonbonded Distance : 2.294 Molprobity Statistics. All-atom Clashscore : 13.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.23 % Favored : 95.77 % Rotamer: Outliers : 4.71 % Allowed : 21.51 % Favored : 73.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.15 (0.15), residues: 3120 helix: 2.17 (0.12), residues: 1713 sheet: -0.33 (0.25), residues: 479 loop : -1.34 (0.20), residues: 928 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG A 183 TYR 0.016 0.002 TYR A 524 PHE 0.017 0.002 PHE C 987 TRP 0.010 0.001 TRP B 856 HIS 0.004 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00558 (24515) covalent geometry : angle 0.52603 (33040) SS BOND : bond 0.00158 ( 1) SS BOND : angle 0.79076 ( 2) hydrogen bonds : bond 0.05525 ( 1484) hydrogen bonds : angle 4.40100 ( 4497) *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 437 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 118 poor density : 319 time to evaluate : 0.713 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8935 (OUTLIER) cc_final: 0.8118 (tt0) REVERT: A 58 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.8047 (tt0) REVERT: A 133 ARG cc_start: 0.8291 (mtt90) cc_final: 0.7841 (mmt-90) REVERT: A 192 GLN cc_start: 0.7873 (OUTLIER) cc_final: 0.7635 (tt0) REVERT: A 237 GLN cc_start: 0.8967 (OUTLIER) cc_final: 0.8535 (mt0) REVERT: A 466 LYS cc_start: 0.8263 (tttt) cc_final: 0.7944 (tttp) REVERT: A 628 ASP cc_start: 0.8048 (OUTLIER) cc_final: 0.7767 (t70) REVERT: A 838 MET cc_start: 0.8246 (mtt) cc_final: 0.7814 (mtm) REVERT: A 839 GLU cc_start: 0.7826 (tt0) cc_final: 0.7017 (mp0) REVERT: A 942 VAL cc_start: 0.8747 (p) cc_final: 0.8359 (m) REVERT: A 973 GLU cc_start: 0.7177 (tt0) cc_final: 0.6443 (tp30) REVERT: A 990 ILE cc_start: 0.8054 (OUTLIER) cc_final: 0.7689 (mp) REVERT: A 1038 LYS cc_start: 0.7943 (tttt) cc_final: 0.7549 (tttm) REVERT: B 290 MET cc_start: 0.8779 (OUTLIER) cc_final: 0.8069 (mtt) REVERT: B 322 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.8526 (ttmt) REVERT: B 496 LYS cc_start: 0.8296 (mttt) cc_final: 0.8037 (mttm) REVERT: B 570 MET cc_start: 0.8899 (ttp) cc_final: 0.8605 (ttm) REVERT: B 702 MET cc_start: 0.7310 (mtp) cc_final: 0.7041 (mtp) REVERT: B 736 GLN cc_start: 0.7127 (OUTLIER) cc_final: 0.6018 (mp10) REVERT: B 902 MET cc_start: 0.7961 (mmt) cc_final: 0.7553 (mmt) REVERT: C 3 LYS cc_start: 0.8719 (OUTLIER) cc_final: 0.8503 (mttp) REVERT: C 117 THR cc_start: 0.8255 (OUTLIER) cc_final: 0.8025 (p) REVERT: C 496 LYS cc_start: 0.8500 (mtmm) cc_final: 0.8197 (mtmt) REVERT: C 527 ARG cc_start: 0.6785 (mtt180) cc_final: 0.5816 (tpm170) REVERT: C 563 THR cc_start: 0.9215 (OUTLIER) cc_final: 0.8975 (t) REVERT: C 764 ARG cc_start: 0.8674 (OUTLIER) cc_final: 0.8155 (mtp180) REVERT: C 937 VAL cc_start: 0.8470 (OUTLIER) cc_final: 0.7988 (m) REVERT: C 1008 ARG cc_start: 0.8880 (OUTLIER) cc_final: 0.8327 (mtm-85) REVERT: C 1039 PHE cc_start: 0.7838 (t80) cc_final: 0.7527 (t80) outliers start: 118 outliers final: 68 residues processed: 399 average time/residue: 0.7864 time to fit residues: 361.1307 Evaluate side-chains 404 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 83 poor density : 321 time to evaluate : 0.945 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 494 MET Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 786 LEU Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 913 VAL Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 984 MET Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 290 MET Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 736 GLN Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 117 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 621 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 158 optimal weight: 3.9990 chunk 39 optimal weight: 4.9990 chunk 123 optimal weight: 0.5980 chunk 47 optimal weight: 2.9990 chunk 1 optimal weight: 1.9990 chunk 216 optimal weight: 10.0000 chunk 101 optimal weight: 6.9990 chunk 61 optimal weight: 1.9990 chunk 113 optimal weight: 0.6980 chunk 55 optimal weight: 3.9990 chunk 46 optimal weight: 0.9980 overall best weight: 1.2584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN C 812 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3419 r_free = 0.3419 target = 0.123740 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.3103 r_free = 0.3103 target = 0.099501 restraints weight = 41855.443| |-----------------------------------------------------------------------------| r_work (start): 0.3107 rms_B_bonded: 1.77 r_work: 0.2974 rms_B_bonded: 2.46 restraints_weight: 0.5000 r_work: 0.2840 rms_B_bonded: 4.10 restraints_weight: 0.2500 r_work (final): 0.2840 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8281 moved from start: 0.2877 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.042 24516 Z= 0.125 Angle : 0.426 5.941 33042 Z= 0.229 Chirality : 0.039 0.140 3839 Planarity : 0.003 0.041 4147 Dihedral : 9.191 169.598 3838 Min Nonbonded Distance : 2.326 Molprobity Statistics. All-atom Clashscore : 15.54 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.30 % Favored : 96.70 % Rotamer: Outliers : 3.43 % Allowed : 22.87 % Favored : 73.70 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.53 (0.16), residues: 3120 helix: 2.51 (0.12), residues: 1710 sheet: -0.19 (0.25), residues: 475 loop : -1.23 (0.20), residues: 935 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.002 0.000 ARG B 158 TYR 0.009 0.001 TYR A 524 PHE 0.015 0.001 PHE A 457 TRP 0.010 0.001 TRP B1016 HIS 0.002 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00281 (24515) covalent geometry : angle 0.42590 (33040) SS BOND : bond 0.00039 ( 1) SS BOND : angle 0.29144 ( 2) hydrogen bonds : bond 0.04272 ( 1484) hydrogen bonds : angle 4.14936 ( 4497) *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 416 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 86 poor density : 330 time to evaluate : 0.737 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8791 (OUTLIER) cc_final: 0.8108 (tt0) REVERT: A 133 ARG cc_start: 0.8302 (mtt90) cc_final: 0.7859 (mtt-85) REVERT: A 192 GLN cc_start: 0.7893 (OUTLIER) cc_final: 0.7651 (tt0) REVERT: A 237 GLN cc_start: 0.8940 (OUTLIER) cc_final: 0.8502 (mt0) REVERT: A 466 LYS cc_start: 0.8171 (tttt) cc_final: 0.7854 (tttp) REVERT: A 628 ASP cc_start: 0.8047 (OUTLIER) cc_final: 0.7786 (t70) REVERT: A 838 MET cc_start: 0.8303 (mtt) cc_final: 0.7928 (mtm) REVERT: A 839 GLU cc_start: 0.7799 (tt0) cc_final: 0.6953 (mp0) REVERT: A 942 VAL cc_start: 0.8753 (p) cc_final: 0.8391 (m) REVERT: A 973 GLU cc_start: 0.7290 (tt0) cc_final: 0.6504 (tp30) REVERT: A 976 ARG cc_start: 0.7274 (ttp80) cc_final: 0.6894 (ttp80) REVERT: A 1038 LYS cc_start: 0.7954 (tttt) cc_final: 0.7559 (tttm) REVERT: B 322 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8540 (ttmt) REVERT: B 346 MET cc_start: 0.8004 (OUTLIER) cc_final: 0.6864 (mpp) REVERT: B 482 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.7957 (mm) REVERT: B 496 LYS cc_start: 0.8292 (mttt) cc_final: 0.7989 (mttm) REVERT: B 570 MET cc_start: 0.8857 (ttp) cc_final: 0.8576 (ttm) REVERT: B 736 GLN cc_start: 0.7064 (OUTLIER) cc_final: 0.6021 (mp10) REVERT: B 846 ASP cc_start: 0.7744 (m-30) cc_final: 0.7397 (m-30) REVERT: C 307 ARG cc_start: 0.8639 (OUTLIER) cc_final: 0.7752 (tpt170) REVERT: C 386 MET cc_start: 0.9231 (mtt) cc_final: 0.9008 (mtm) REVERT: C 496 LYS cc_start: 0.8442 (mtmm) cc_final: 0.8148 (mtmt) REVERT: C 527 ARG cc_start: 0.6740 (mtt180) cc_final: 0.5785 (tpm170) REVERT: C 682 ASP cc_start: 0.8795 (p0) cc_final: 0.8511 (t70) REVERT: C 764 ARG cc_start: 0.8635 (OUTLIER) cc_final: 0.8315 (mtp180) REVERT: C 838 MET cc_start: 0.9164 (mtp) cc_final: 0.8950 (mtm) REVERT: C 937 VAL cc_start: 0.8394 (OUTLIER) cc_final: 0.8047 (m) REVERT: C 1039 PHE cc_start: 0.7855 (t80) cc_final: 0.7513 (t80) outliers start: 86 outliers final: 54 residues processed: 385 average time/residue: 0.8139 time to fit residues: 358.9347 Evaluate side-chains 393 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 65 poor density : 328 time to evaluate : 1.017 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 482 LEU Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 736 GLN Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1023 LEU Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 621 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 88 optimal weight: 2.9990 chunk 211 optimal weight: 0.0050 chunk 34 optimal weight: 2.9990 chunk 140 optimal weight: 4.9990 chunk 210 optimal weight: 5.9990 chunk 57 optimal weight: 5.9990 chunk 229 optimal weight: 4.9990 chunk 161 optimal weight: 5.9990 chunk 55 optimal weight: 2.9990 chunk 308 optimal weight: 4.9990 chunk 273 optimal weight: 0.9980 overall best weight: 2.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN ** C 688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3402 r_free = 0.3402 target = 0.122290 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 46)----------------| | r_work = 0.3084 r_free = 0.3084 target = 0.098070 restraints weight = 41798.502| |-----------------------------------------------------------------------------| r_work (start): 0.3083 rms_B_bonded: 1.78 r_work: 0.2951 rms_B_bonded: 2.46 restraints_weight: 0.5000 r_work: 0.2816 rms_B_bonded: 4.10 restraints_weight: 0.2500 r_work (final): 0.2816 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8294 moved from start: 0.2899 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.038 24516 Z= 0.175 Angle : 0.467 5.934 33042 Z= 0.249 Chirality : 0.040 0.146 3839 Planarity : 0.003 0.042 4147 Dihedral : 9.246 170.543 3838 Min Nonbonded Distance : 2.321 Molprobity Statistics. All-atom Clashscore : 14.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.91 % Favored : 96.09 % Rotamer: Outliers : 3.71 % Allowed : 22.71 % Favored : 73.58 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.46 (0.16), residues: 3120 helix: 2.43 (0.12), residues: 1710 sheet: -0.19 (0.25), residues: 482 loop : -1.23 (0.20), residues: 928 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.002 0.000 ARG A 183 TYR 0.011 0.001 TYR A 524 PHE 0.015 0.001 PHE A 509 TRP 0.010 0.001 TRP B1016 HIS 0.003 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00412 (24515) covalent geometry : angle 0.46711 (33040) SS BOND : bond 0.00070 ( 1) SS BOND : angle 0.55560 ( 2) hydrogen bonds : bond 0.04833 ( 1484) hydrogen bonds : angle 4.22488 ( 4497) *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 417 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 93 poor density : 324 time to evaluate : 0.786 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8898 (OUTLIER) cc_final: 0.8199 (tt0) REVERT: A 58 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.7992 (tt0) REVERT: A 133 ARG cc_start: 0.8322 (mtt90) cc_final: 0.7868 (mtt-85) REVERT: A 192 GLN cc_start: 0.7908 (OUTLIER) cc_final: 0.7672 (tt0) REVERT: A 237 GLN cc_start: 0.8949 (OUTLIER) cc_final: 0.8504 (mt0) REVERT: A 466 LYS cc_start: 0.8204 (tttt) cc_final: 0.7891 (tttp) REVERT: A 628 ASP cc_start: 0.8036 (OUTLIER) cc_final: 0.7762 (t70) REVERT: A 838 MET cc_start: 0.8289 (mtt) cc_final: 0.7896 (mtm) REVERT: A 839 GLU cc_start: 0.7814 (tt0) cc_final: 0.7016 (mp0) REVERT: A 863 GLU cc_start: 0.7351 (mm-30) cc_final: 0.6972 (mm-30) REVERT: A 942 VAL cc_start: 0.8747 (p) cc_final: 0.8381 (m) REVERT: A 955 GLU cc_start: 0.7795 (tp30) cc_final: 0.7073 (tm-30) REVERT: A 973 GLU cc_start: 0.7259 (tt0) cc_final: 0.6449 (tp30) REVERT: A 990 ILE cc_start: 0.7988 (OUTLIER) cc_final: 0.7628 (mp) REVERT: A 1038 LYS cc_start: 0.7944 (tttt) cc_final: 0.7544 (tttm) REVERT: B 346 MET cc_start: 0.8020 (OUTLIER) cc_final: 0.6886 (mpp) REVERT: B 482 LEU cc_start: 0.8398 (OUTLIER) cc_final: 0.7981 (mm) REVERT: B 496 LYS cc_start: 0.8329 (mttt) cc_final: 0.8045 (mtmm) REVERT: B 570 MET cc_start: 0.8891 (ttp) cc_final: 0.8613 (ttm) REVERT: B 736 GLN cc_start: 0.7079 (OUTLIER) cc_final: 0.5987 (mp10) REVERT: B 846 ASP cc_start: 0.7774 (m-30) cc_final: 0.7428 (m-30) REVERT: B 902 MET cc_start: 0.7895 (mmt) cc_final: 0.7536 (mmt) REVERT: C 69 MET cc_start: 0.9210 (OUTLIER) cc_final: 0.8612 (mpp) REVERT: C 117 THR cc_start: 0.8269 (OUTLIER) cc_final: 0.8041 (p) REVERT: C 307 ARG cc_start: 0.8659 (OUTLIER) cc_final: 0.7783 (tpt170) REVERT: C 496 LYS cc_start: 0.8474 (mtmm) cc_final: 0.8162 (mtmt) REVERT: C 527 ARG cc_start: 0.6728 (mtt180) cc_final: 0.5798 (tpm170) REVERT: C 563 THR cc_start: 0.9177 (OUTLIER) cc_final: 0.8940 (t) REVERT: C 764 ARG cc_start: 0.8658 (OUTLIER) cc_final: 0.8300 (mtp180) REVERT: C 937 VAL cc_start: 0.8421 (OUTLIER) cc_final: 0.8033 (m) REVERT: C 1008 ARG cc_start: 0.8759 (OUTLIER) cc_final: 0.8177 (mtm-85) REVERT: C 1039 PHE cc_start: 0.7786 (t80) cc_final: 0.7429 (t80) outliers start: 93 outliers final: 65 residues processed: 393 average time/residue: 0.7833 time to fit residues: 354.3777 Evaluate side-chains 405 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 81 poor density : 324 time to evaluate : 0.991 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 913 VAL Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 482 LEU Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 736 GLN Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 69 MET Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 117 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 621 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 257 optimal weight: 3.9990 chunk 239 optimal weight: 3.9990 chunk 4 optimal weight: 1.9990 chunk 84 optimal weight: 7.9990 chunk 266 optimal weight: 2.9990 chunk 35 optimal weight: 4.9990 chunk 176 optimal weight: 0.7980 chunk 65 optimal weight: 3.9990 chunk 82 optimal weight: 3.9990 chunk 155 optimal weight: 7.9990 chunk 169 optimal weight: 2.9990 overall best weight: 2.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 700 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3386 r_free = 0.3386 target = 0.121144 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 41)----------------| | r_work = 0.3065 r_free = 0.3065 target = 0.096844 restraints weight = 41591.158| |-----------------------------------------------------------------------------| r_work (start): 0.3065 rms_B_bonded: 1.78 r_work: 0.2932 rms_B_bonded: 2.46 restraints_weight: 0.5000 r_work: 0.2797 rms_B_bonded: 4.09 restraints_weight: 0.2500 r_work (final): 0.2797 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8295 moved from start: 0.2925 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.035 24516 Z= 0.213 Angle : 0.504 6.172 33042 Z= 0.267 Chirality : 0.041 0.149 3839 Planarity : 0.004 0.052 4147 Dihedral : 9.357 172.935 3838 Min Nonbonded Distance : 2.313 Molprobity Statistics. All-atom Clashscore : 14.44 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.04 % Favored : 95.96 % Rotamer: Outliers : 3.59 % Allowed : 22.98 % Favored : 73.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.29 (0.16), residues: 3120 helix: 2.26 (0.12), residues: 1712 sheet: -0.31 (0.25), residues: 508 loop : -1.24 (0.20), residues: 900 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.003 0.000 ARG B 632 TYR 0.012 0.001 TYR A 524 PHE 0.016 0.001 PHE C 987 TRP 0.009 0.001 TRP B1016 HIS 0.004 0.001 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00508 (24515) covalent geometry : angle 0.50418 (33040) SS BOND : bond 0.00136 ( 1) SS BOND : angle 0.40691 ( 2) hydrogen bonds : bond 0.05255 ( 1484) hydrogen bonds : angle 4.32093 ( 4497) ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 416 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 90 poor density : 326 time to evaluate : 1.049 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8899 (OUTLIER) cc_final: 0.8196 (tt0) REVERT: A 58 GLU cc_start: 0.8361 (OUTLIER) cc_final: 0.7949 (tt0) REVERT: A 133 ARG cc_start: 0.8372 (mtt90) cc_final: 0.7876 (mtt-85) REVERT: A 192 GLN cc_start: 0.7957 (OUTLIER) cc_final: 0.7732 (tt0) REVERT: A 237 GLN cc_start: 0.8955 (OUTLIER) cc_final: 0.8511 (mt0) REVERT: A 466 LYS cc_start: 0.8233 (tttt) cc_final: 0.7896 (tttp) REVERT: A 628 ASP cc_start: 0.8039 (OUTLIER) cc_final: 0.7771 (t70) REVERT: A 838 MET cc_start: 0.8092 (mtt) cc_final: 0.7727 (mtm) REVERT: A 839 GLU cc_start: 0.7777 (tt0) cc_final: 0.6983 (mp0) REVERT: A 859 GLN cc_start: 0.7948 (mt0) cc_final: 0.7708 (mt0) REVERT: A 942 VAL cc_start: 0.8735 (p) cc_final: 0.8337 (m) REVERT: A 973 GLU cc_start: 0.7329 (tt0) cc_final: 0.6457 (tp30) REVERT: A 990 ILE cc_start: 0.8005 (OUTLIER) cc_final: 0.7649 (mp) REVERT: A 1038 LYS cc_start: 0.7936 (tttt) cc_final: 0.7535 (tttm) REVERT: B 346 MET cc_start: 0.8030 (OUTLIER) cc_final: 0.6907 (mpp) REVERT: B 496 LYS cc_start: 0.8335 (mttt) cc_final: 0.8054 (mtmm) REVERT: B 570 MET cc_start: 0.8893 (ttp) cc_final: 0.8624 (ttm) REVERT: B 736 GLN cc_start: 0.7067 (OUTLIER) cc_final: 0.6010 (mp10) REVERT: B 902 MET cc_start: 0.7938 (mmt) cc_final: 0.7542 (mmt) REVERT: C 117 THR cc_start: 0.8303 (OUTLIER) cc_final: 0.8070 (p) REVERT: C 307 ARG cc_start: 0.8651 (OUTLIER) cc_final: 0.7773 (tpt170) REVERT: C 496 LYS cc_start: 0.8446 (mtmm) cc_final: 0.8123 (mtmt) REVERT: C 527 ARG cc_start: 0.6765 (mtt180) cc_final: 0.5792 (tpm170) REVERT: C 563 THR cc_start: 0.9179 (OUTLIER) cc_final: 0.8940 (t) REVERT: C 764 ARG cc_start: 0.8663 (OUTLIER) cc_final: 0.8299 (mtp180) REVERT: C 937 VAL cc_start: 0.8454 (OUTLIER) cc_final: 0.8007 (m) REVERT: C 1008 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.8196 (mtm-85) REVERT: C 1039 PHE cc_start: 0.7808 (t80) cc_final: 0.7450 (t80) outliers start: 90 outliers final: 66 residues processed: 392 average time/residue: 0.7816 time to fit residues: 351.5102 Evaluate side-chains 401 residues out of total 2506 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 80 poor density : 321 time to evaluate : 0.816 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 913 VAL Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 736 GLN Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 117 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 621 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 922 LEU Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Chi-restraints excluded: chain C residue 1008 ARG Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 151 optimal weight: 0.7980 chunk 246 optimal weight: 4.9990 chunk 157 optimal weight: 3.9990 chunk 110 optimal weight: 1.9990 chunk 138 optimal weight: 3.9990 chunk 223 optimal weight: 0.6980 chunk 160 optimal weight: 0.9980 chunk 74 optimal weight: 0.8980 chunk 211 optimal weight: 0.9980 chunk 137 optimal weight: 0.9980 chunk 295 optimal weight: 0.9990 overall best weight: 0.8780 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3430 r_free = 0.3430 target = 0.124701 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3117 r_free = 0.3117 target = 0.100479 restraints weight = 42190.174| |-----------------------------------------------------------------------------| r_work (start): 0.3114 rms_B_bonded: 1.79 r_work: 0.2983 rms_B_bonded: 2.47 restraints_weight: 0.5000 r_work: 0.2849 rms_B_bonded: 4.13 restraints_weight: 0.2500 r_work (final): 0.2849 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8276 moved from start: 0.3002 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.043 24516 Z= 0.106 Angle : 0.415 5.967 33042 Z= 0.224 Chirality : 0.038 0.141 3839 Planarity : 0.003 0.041 4147 Dihedral : 8.753 172.802 3838 Min Nonbonded Distance : 2.336 Molprobity Statistics. All-atom Clashscore : 15.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.11 % Favored : 96.89 % Rotamer: Outliers : 2.75 % Allowed : 23.74 % Favored : 73.50 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 1.73 (0.16), residues: 3120 helix: 2.64 (0.12), residues: 1711 sheet: -0.08 (0.25), residues: 480 loop : -1.10 (0.20), residues: 929 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.003 0.000 ARG A 180 TYR 0.009 0.001 TYR C 77 PHE 0.015 0.001 PHE A 457 TRP 0.010 0.001 TRP C1016 HIS 0.002 0.000 HIS C 46 Details of bonding type rmsd covalent geometry : bond 0.00232 (24515) covalent geometry : angle 0.41457 (33040) SS BOND : bond 0.00023 ( 1) SS BOND : angle 0.41770 ( 2) hydrogen bonds : bond 0.04052 ( 1484) hydrogen bonds : angle 4.07662 ( 4497) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 9029.07 seconds wall clock time: 153 minutes 58.37 seconds (9238.37 seconds total)