Starting phenix.real_space_refine on Wed Jun 18 16:01:54 2025 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.cif Found real_map, /net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.06 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.map" default_real_map = "/net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.map" model { file = "/net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.cif" } default_model = "/net/cci-nas-00/data/ceres_data/9l4c_62809/06_2025/9l4c_62809.cif" } resolution = 4.06 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.006 sd= 0.041 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 Zn 2 6.06 5 S 40 5.16 5 C 8232 2.51 5 N 2621 2.21 5 O 2721 1.98 5 H 7891 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped. Time to flip 19 residue(s): 0.03s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5710/modules/chem_data/mon_lib" Total number of atoms: 21507 Number of models: 1 Model: "" Number of chains: 6 Chain: "A" Number of atoms: 6713 Number of conformers: 1 Conformer: "" Number of residues, atoms: 832, 6713 Classifications: {'peptide': 832} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 27, 'TRANS': 804} Chain breaks: 5 Unresolved chain link angles: 21 Unresolved non-hydrogen bonds: 2327 Unresolved non-hydrogen angles: 2972 Unresolved non-hydrogen dihedrals: 1930 Unresolved non-hydrogen chiralities: 251 Planarities with less than four sites: {'GLN:plan1': 30, 'HIS:plan': 24, 'TYR:plan': 20, 'ASN:plan1': 20, 'TRP:plan': 7, 'ASP:plan': 35, 'PHE:plan': 35, 'GLU:plan': 49, 'ARG:plan': 26} Unresolved non-hydrogen planarities: 1144 Chain: "B" Number of atoms: 6000 Number of conformers: 1 Conformer: "" Number of residues, atoms: 854, 6000 Classifications: {'peptide': 854} Link IDs: {'PTRANS': 28, 'TRANS': 825} Chain breaks: 6 Unresolved chain link angles: 28 Unresolved non-hydrogen bonds: 2694 Unresolved non-hydrogen angles: 3435 Unresolved non-hydrogen dihedrals: 2241 Unresolved non-hydrogen chiralities: 287 Planarities with less than four sites: {'GLN:plan1': 37, 'HIS:plan': 26, 'TYR:plan': 22, 'ASN:plan1': 23, 'TRP:plan': 8, 'ASP:plan': 38, 'PHE:plan': 43, 'GLU:plan': 54, 'ARG:plan': 30} Unresolved non-hydrogen planarities: 1311 Chain: "D" Number of atoms: 4382 Number of conformers: 1 Conformer: "" Number of residues, atoms: 389, 4382 Classifications: {'peptide': 389} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 19, 'TRANS': 369} Chain breaks: 4 Unresolved chain link angles: 7 Unresolved non-hydrogen bonds: 541 Unresolved non-hydrogen angles: 708 Unresolved non-hydrogen dihedrals: 430 Unresolved non-hydrogen chiralities: 88 Planarities with less than four sites: {'GLN:plan1': 7, 'HIS:plan': 9, 'TYR:plan': 1, 'ASN:plan1': 5, 'TRP:plan': 2, 'ASP:plan': 2, 'PHE:plan': 7, 'GLU:plan': 4, 'ARG:plan': 9} Unresolved non-hydrogen planarities: 222 Chain: "C" Number of atoms: 4410 Number of conformers: 1 Conformer: "" Number of residues, atoms: 393, 4410 Classifications: {'peptide': 393} Link IDs: {'PTRANS': 21, 'TRANS': 371} Chain breaks: 4 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 553 Unresolved non-hydrogen angles: 708 Unresolved non-hydrogen dihedrals: 439 Unresolved non-hydrogen chiralities: 76 Planarities with less than four sites: {'GLN:plan1': 11, 'ASP:plan': 5, 'TYR:plan': 3, 'ASN:plan1': 3, 'TRP:plan': 1, 'HIS:plan': 4, 'PHE:plan': 6, 'GLU:plan': 5, 'ARG:plan': 16} Unresolved non-hydrogen planarities: 254 Chain: "D" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "C" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 15320 SG CYS D 630 95.570 45.127 83.126 1.00111.91 S ATOM 15779 SG CYS D 680 96.216 42.676 83.610 1.00140.50 S ATOM 15795 SG CYS D 682 94.389 43.432 83.817 1.00111.49 S ATOM 19709 SG CYS C 624 47.007 122.661 57.220 1.00126.72 S ATOM 20337 SG CYS C 680 48.137 125.030 55.625 1.00132.59 S ATOM 20364 SG CYS C 682 50.492 123.034 55.584 1.00112.05 S Time building chain proxies: 14.30, per 1000 atoms: 0.66 Number of scatterers: 21507 At special positions: 0 Unit cell: (140.22, 168.92, 122.18, 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) Zn 2 29.99 S 40 16.00 O 2721 8.00 N 2621 7.00 C 8232 6.00 H 7891 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=2, symmetry=0 Simple disulfide: pdb=" SG CYS D 330 " - pdb=" SG CYS C 330 " distance=2.06 Simple disulfide: pdb=" SG CYS C 394 " - pdb=" SG CYS C 411 " distance=2.02 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: 6.57 Conformation dependent library (CDL) restraints added in 2.7 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN C 801 " pdb="ZN ZN C 801 " - pdb=" SG CYS C 624 " pdb="ZN ZN C 801 " - pdb=" SG CYS C 682 " pdb="ZN ZN C 801 " - pdb=" SG CYS C 680 " pdb=" ZN D 801 " pdb="ZN ZN D 801 " - pdb=" SG CYS D 682 " pdb="ZN ZN D 801 " - pdb=" SG CYS D 680 " pdb="ZN ZN D 801 " - pdb=" SG CYS D 630 " 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 4740 Finding SS restraints... Secondary structure from input PDB file: 120 helices and 1 sheets defined 80.4% alpha, 0.2% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 2.06 Creating SS restraints... Processing helix chain 'A' and resid 10 through 20 Processing helix chain 'A' and resid 22 through 46 removed outlier: 4.253A pdb=" N GLN A 31 " --> pdb=" O ASN A 27 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N LYS A 32 " --> pdb=" O THR A 28 " (cutoff:3.500A) Proline residue: A 33 - end of helix removed outlier: 3.695A pdb=" N ILE A 36 " --> pdb=" O LYS A 32 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N LEU A 37 " --> pdb=" O PRO A 33 " (cutoff:3.500A) Processing helix chain 'A' and resid 47 through 55 Processing helix chain 'A' and resid 63 through 79 Processing helix chain 'A' and resid 79 through 84 Processing helix chain 'A' and resid 90 through 113 removed outlier: 3.702A pdb=" N THR A 113 " --> pdb=" O ARG A 109 " (cutoff:3.500A) Processing helix chain 'A' and resid 115 through 138 removed outlier: 4.406A pdb=" N LEU A 119 " --> pdb=" O SER A 115 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N LYS A 121 " --> pdb=" O HIS A 117 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N LYS A 122 " --> pdb=" O LEU A 118 " (cutoff:3.500A) Processing helix chain 'A' and resid 138 through 166 Processing helix chain 'A' and resid 198 through 216 Processing helix chain 'A' and resid 225 through 239 Processing helix chain 'A' and resid 241 through 260 Processing helix chain 'A' and resid 262 through 283 removed outlier: 4.383A pdb=" N THR A 268 " --> pdb=" O GLN A 264 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N VAL A 281 " --> pdb=" O LEU A 277 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N GLU A 282 " --> pdb=" O LYS A 278 " (cutoff:3.500A) Processing helix chain 'A' and resid 284 through 303 removed outlier: 4.265A pdb=" N GLU A 293 " --> pdb=" O LYS A 289 " (cutoff:3.500A) Proline residue: A 294 - end of helix Processing helix chain 'A' and resid 308 through 313 removed outlier: 3.941A pdb=" N ASN A 312 " --> pdb=" O GLU A 308 " (cutoff:3.500A) Processing helix chain 'A' and resid 314 through 332 Processing helix chain 'A' and resid 332 through 337 Processing helix chain 'A' and resid 339 through 356 Processing helix chain 'A' and resid 364 through 385 removed outlier: 4.429A pdb=" N ILE A 385 " --> pdb=" O ASP A 381 " (cutoff:3.500A) Processing helix chain 'A' and resid 389 through 412 Proline residue: A 395 - end of helix Processing helix chain 'A' and resid 460 through 480 removed outlier: 3.630A pdb=" N SER A 464 " --> pdb=" O SER A 460 " (cutoff:3.500A) Processing helix chain 'A' and resid 485 through 506 Processing helix chain 'A' and resid 507 through 509 No H-bonds generated for 'chain 'A' and resid 507 through 509' Processing helix chain 'A' and resid 536 through 554 Processing helix chain 'A' and resid 555 through 580 removed outlier: 3.736A pdb=" N GLU A 560 " --> pdb=" O LYS A 556 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N ALA A 561 " --> pdb=" O LEU A 557 " (cutoff:3.500A) Processing helix chain 'A' and resid 584 through 603 Proline residue: A 597 - end of helix removed outlier: 4.177A pdb=" N SER A 601 " --> pdb=" O PRO A 597 " (cutoff:3.500A) Processing helix chain 'A' and resid 605 through 611 Processing helix chain 'A' and resid 611 through 617 removed outlier: 3.755A pdb=" N LEU A 617 " --> pdb=" O PHE A 613 " (cutoff:3.500A) Processing helix chain 'A' and resid 617 through 628 removed outlier: 3.572A pdb=" N SER A 627 " --> pdb=" O ARG A 623 " (cutoff:3.500A) Processing helix chain 'A' and resid 629 through 643 Processing helix chain 'A' and resid 648 through 662 Processing helix chain 'A' and resid 664 through 673 Processing helix chain 'A' and resid 674 through 683 Processing helix chain 'A' and resid 689 through 698 Processing helix chain 'A' and resid 699 through 720 removed outlier: 4.398A pdb=" N LYS A 705 " --> pdb=" O ASP A 701 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLU A 706 " --> pdb=" O ILE A 702 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N SER A 709 " --> pdb=" O LYS A 705 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N CYS A 716 " --> pdb=" O GLY A 712 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS A 719 " --> pdb=" O VAL A 715 " (cutoff:3.500A) Processing helix chain 'A' and resid 779 through 790 removed outlier: 4.544A pdb=" N HIS A 788 " --> pdb=" O ASP A 784 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N LEU A 789 " --> pdb=" O ASN A 785 " (cutoff:3.500A) Processing helix chain 'A' and resid 801 through 814 Processing helix chain 'A' and resid 826 through 835 Processing helix chain 'A' and resid 839 through 861 Processing helix chain 'A' and resid 862 through 880 Processing helix chain 'A' and resid 883 through 897 Processing helix chain 'A' and resid 900 through 919 Processing helix chain 'A' and resid 921 through 928 Processing helix chain 'A' and resid 929 through 947 Processing helix chain 'B' and resid 11 through 21 Processing helix chain 'B' and resid 25 through 45 Proline residue: B 33 - end of helix removed outlier: 3.553A pdb=" N ILE B 36 " --> pdb=" O LYS B 32 " (cutoff:3.500A) Processing helix chain 'B' and resid 65 through 79 Processing helix chain 'B' and resid 79 through 84 Processing helix chain 'B' and resid 91 through 113 removed outlier: 4.484A pdb=" N THR B 113 " --> pdb=" O ARG B 109 " (cutoff:3.500A) Processing helix chain 'B' and resid 116 through 138 removed outlier: 3.656A pdb=" N LYS B 122 " --> pdb=" O LEU B 118 " (cutoff:3.500A) Processing helix chain 'B' and resid 138 through 166 Processing helix chain 'B' and resid 198 through 221 removed outlier: 5.545A pdb=" N ALA B 218 " --> pdb=" O THR B 214 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N ILE B 219 " --> pdb=" O ARG B 215 " (cutoff:3.500A) Processing helix chain 'B' and resid 224 through 239 removed outlier: 4.001A pdb=" N LEU B 228 " --> pdb=" O ARG B 224 " (cutoff:3.500A) Processing helix chain 'B' and resid 241 through 258 Processing helix chain 'B' and resid 262 through 282 removed outlier: 3.522A pdb=" N SER B 267 " --> pdb=" O ALA B 263 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N THR B 268 " --> pdb=" O GLN B 264 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N VAL B 281 " --> pdb=" O LEU B 277 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N GLU B 282 " --> pdb=" O LYS B 278 " (cutoff:3.500A) Processing helix chain 'B' and resid 284 through 303 removed outlier: 4.668A pdb=" N GLU B 293 " --> pdb=" O LYS B 289 " (cutoff:3.500A) Proline residue: B 294 - end of helix Processing helix chain 'B' and resid 308 through 313 removed outlier: 4.207A pdb=" N ASN B 312 " --> pdb=" O GLU B 308 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ILE B 313 " --> pdb=" O ALA B 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 308 through 313' Processing helix chain 'B' and resid 314 through 332 Processing helix chain 'B' and resid 332 through 337 Processing helix chain 'B' and resid 339 through 355 Processing helix chain 'B' and resid 364 through 385 removed outlier: 4.313A pdb=" N ILE B 385 " --> pdb=" O ASP B 381 " (cutoff:3.500A) Processing helix chain 'B' and resid 388 through 413 removed outlier: 4.506A pdb=" N LEU B 392 " --> pdb=" O ASP B 388 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N GLY B 394 " --> pdb=" O GLU B 390 " (cutoff:3.500A) Proline residue: B 395 - end of helix Processing helix chain 'B' and resid 455 through 460 Processing helix chain 'B' and resid 460 through 480 Processing helix chain 'B' and resid 486 through 507 Processing helix chain 'B' and resid 536 through 552 Processing helix chain 'B' and resid 558 through 580 Processing helix chain 'B' and resid 583 through 603 Proline residue: B 597 - end of helix removed outlier: 4.492A pdb=" N TYR B 600 " --> pdb=" O LEU B 596 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N SER B 601 " --> pdb=" O PRO B 597 " (cutoff:3.500A) Processing helix chain 'B' and resid 605 through 611 removed outlier: 3.739A pdb=" N LEU B 610 " --> pdb=" O GLY B 606 " (cutoff:3.500A) Processing helix chain 'B' and resid 611 through 628 removed outlier: 3.684A pdb=" N ASN B 616 " --> pdb=" O THR B 612 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N THR B 619 " --> pdb=" O ALA B 615 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N LEU B 620 " --> pdb=" O ASN B 616 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N ASP B 626 " --> pdb=" O CYS B 622 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N SER B 627 " --> pdb=" O ARG B 623 " (cutoff:3.500A) Processing helix chain 'B' and resid 629 through 643 Processing helix chain 'B' and resid 648 through 662 removed outlier: 3.848A pdb=" N SER B 662 " --> pdb=" O TRP B 658 " (cutoff:3.500A) Processing helix chain 'B' and resid 664 through 683 removed outlier: 3.932A pdb=" N ILE B 677 " --> pdb=" O SER B 673 " (cutoff:3.500A) removed outlier: 4.927A pdb=" N GLN B 680 " --> pdb=" O PHE B 676 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLN B 681 " --> pdb=" O ILE B 677 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ASN B 683 " --> pdb=" O LEU B 679 " (cutoff:3.500A) Processing helix chain 'B' and resid 689 through 698 removed outlier: 3.559A pdb=" N ASP B 698 " --> pdb=" O ASP B 694 " (cutoff:3.500A) Processing helix chain 'B' and resid 700 through 718 removed outlier: 3.773A pdb=" N GLY B 712 " --> pdb=" O ALA B 708 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N GLN B 713 " --> pdb=" O SER B 709 " (cutoff:3.500A) Processing helix chain 'B' and resid 751 through 755 Processing helix chain 'B' and resid 759 through 770 Proline residue: B 765 - end of helix Processing helix chain 'B' and resid 775 through 792 removed outlier: 3.912A pdb=" N HIS B 788 " --> pdb=" O ASP B 784 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LYS B 791 " --> pdb=" O HIS B 787 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N HIS B 792 " --> pdb=" O HIS B 788 " (cutoff:3.500A) Processing helix chain 'B' and resid 798 through 815 Processing helix chain 'B' and resid 817 through 835 removed outlier: 3.897A pdb=" N HIS B 830 " --> pdb=" O GLY B 826 " (cutoff:3.500A) Processing helix chain 'B' and resid 839 through 861 Processing helix chain 'B' and resid 862 through 880 Processing helix chain 'B' and resid 883 through 899 Processing helix chain 'B' and resid 905 through 915 Processing helix chain 'B' and resid 929 through 948 Processing helix chain 'D' and resid 305 through 310 Processing helix chain 'D' and resid 312 through 317 Processing helix chain 'D' and resid 328 through 334 Processing helix chain 'D' and resid 374 through 392 Processing helix chain 'D' and resid 413 through 436 removed outlier: 3.826A pdb=" N VAL D 417 " --> pdb=" O LEU D 413 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N HIS D 418 " --> pdb=" O PRO D 414 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N PHE D 419 " --> pdb=" O GLY D 415 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N LEU D 420 " --> pdb=" O ALA D 416 " (cutoff:3.500A) Proline residue: D 421 - end of helix Processing helix chain 'D' and resid 468 through 487 Processing helix chain 'D' and resid 489 through 499 removed outlier: 3.656A pdb=" N VAL D 493 " --> pdb=" O SER D 489 " (cutoff:3.500A) Processing helix chain 'D' and resid 536 through 551 Processing helix chain 'D' and resid 553 through 575 removed outlier: 3.814A pdb=" N SER D 559 " --> pdb=" O HIS D 555 " (cutoff:3.500A) Processing helix chain 'D' and resid 578 through 595 removed outlier: 3.836A pdb=" N ARG D 582 " --> pdb=" O ASP D 578 " (cutoff:3.500A) removed outlier: 4.974A pdb=" N CYS D 585 " --> pdb=" O PRO D 581 " (cutoff:3.500A) removed outlier: 5.178A pdb=" N VAL D 586 " --> pdb=" O ARG D 582 " (cutoff:3.500A) Proline residue: D 591 - end of helix Processing helix chain 'D' and resid 599 through 615 Processing helix chain 'D' and resid 618 through 624 removed outlier: 3.889A pdb=" N CYS D 624 " --> pdb=" O ALA D 620 " (cutoff:3.500A) Processing helix chain 'D' and resid 630 through 642 Processing helix chain 'D' and resid 648 through 668 Processing helix chain 'D' and resid 681 through 704 removed outlier: 3.876A pdb=" N ALA D 704 " --> pdb=" O THR D 700 " (cutoff:3.500A) Processing helix chain 'D' and resid 710 through 734 Processing helix chain 'D' and resid 735 through 743 removed outlier: 3.776A pdb=" N MET D 739 " --> pdb=" O LYS D 735 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N GLU D 743 " --> pdb=" O MET D 739 " (cutoff:3.500A) Processing helix chain 'D' and resid 744 through 761 Proline residue: D 753 - end of helix Processing helix chain 'D' and resid 766 through 776 removed outlier: 3.678A pdb=" N LEU D 776 " --> pdb=" O ALA D 772 " (cutoff:3.500A) Processing helix chain 'C' and resid 302 through 318 Processing helix chain 'C' and resid 328 through 334 Processing helix chain 'C' and resid 371 through 392 Processing helix chain 'C' and resid 414 through 441 removed outlier: 3.782A pdb=" N HIS C 418 " --> pdb=" O PRO C 414 " (cutoff:3.500A) Proline residue: C 421 - end of helix removed outlier: 4.397A pdb=" N HIS C 430 " --> pdb=" O PHE C 426 " (cutoff:3.500A) removed outlier: 6.178A pdb=" N ALA C 433 " --> pdb=" O LEU C 429 " (cutoff:3.500A) Processing helix chain 'C' and resid 465 through 489 Processing helix chain 'C' and resid 490 through 498 Processing helix chain 'C' and resid 536 through 552 Processing helix chain 'C' and resid 554 through 575 Processing helix chain 'C' and resid 583 through 594 Proline residue: C 591 - end of helix Processing helix chain 'C' and resid 599 through 615 removed outlier: 3.554A pdb=" N ASP C 615 " --> pdb=" O SER C 611 " (cutoff:3.500A) Processing helix chain 'C' and resid 630 through 641 removed outlier: 4.415A pdb=" N LEU C 634 " --> pdb=" O CYS C 630 " (cutoff:3.500A) Processing helix chain 'C' and resid 648 through 669 Processing helix chain 'C' and resid 681 through 704 removed outlier: 3.955A pdb=" N VAL C 687 " --> pdb=" O ASN C 683 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N THR C 700 " --> pdb=" O ARG C 696 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALA C 704 " --> pdb=" O THR C 700 " (cutoff:3.500A) Processing helix chain 'C' and resid 710 through 733 removed outlier: 4.005A pdb=" N LEU C 725 " --> pdb=" O ARG C 721 " (cutoff:3.500A) Processing helix chain 'C' and resid 737 through 743 removed outlier: 4.548A pdb=" N GLU C 743 " --> pdb=" O MET C 739 " (cutoff:3.500A) Processing helix chain 'C' and resid 744 through 762 removed outlier: 3.575A pdb=" N PHE C 748 " --> pdb=" O VAL C 744 " (cutoff:3.500A) Proline residue: C 753 - end of helix Processing helix chain 'C' and resid 766 through 777 Processing sheet with id=AA1, first strand: chain 'B' and resid 723 through 725 1378 hydrogen bonds defined for protein. 4122 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: 8.31 Time building geometry restraints manager: 7.57 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.83 - 1.05: 7872 1.05 - 1.27: 2658 1.27 - 1.49: 5549 1.49 - 1.71: 5437 1.71 - 1.93: 51 Bond restraints: 21567 Sorted by residual: bond pdb=" CA CYS D 680 " pdb=" CB CYS D 680 " ideal model delta sigma weight residual 1.530 1.657 -0.127 2.00e-02 2.50e+03 4.03e+01 bond pdb=" N ASN D 683 " pdb=" CA ASN D 683 " ideal model delta sigma weight residual 1.459 1.510 -0.051 1.18e-02 7.18e+03 1.88e+01 bond pdb=" NH2 ARG A 177 " pdb="HH22 ARG A 177 " ideal model delta sigma weight residual 0.860 0.942 -0.082 2.00e-02 2.50e+03 1.69e+01 bond pdb=" CB CYS D 680 " pdb=" SG CYS D 680 " ideal model delta sigma weight residual 1.808 1.933 -0.125 3.30e-02 9.18e+02 1.44e+01 bond pdb=" N VAL A 822 " pdb=" CA VAL A 822 " ideal model delta sigma weight residual 1.457 1.494 -0.037 1.22e-02 6.72e+03 9.21e+00 ... (remaining 21562 not shown) Histogram of bond angle deviations from ideal: 0.00 - 4.11: 37628 4.11 - 8.22: 69 8.22 - 12.33: 5 12.33 - 16.44: 1 16.44 - 20.55: 1 Bond angle restraints: 37704 Sorted by residual: angle pdb=" N GLN D 681 " pdb=" CA GLN D 681 " pdb=" C GLN D 681 " ideal model delta sigma weight residual 111.71 98.42 13.29 1.15e+00 7.56e-01 1.34e+02 angle pdb=" CA CYS D 680 " pdb=" CB CYS D 680 " pdb=" SG CYS D 680 " ideal model delta sigma weight residual 114.40 134.95 -20.55 2.30e+00 1.89e-01 7.98e+01 angle pdb=" CA CYS D 682 " pdb=" C CYS D 682 " pdb=" O CYS D 682 " ideal model delta sigma weight residual 120.55 113.98 6.57 1.06e+00 8.90e-01 3.85e+01 angle pdb=" C CYS D 682 " pdb=" CA CYS D 682 " pdb=" CB CYS D 682 " ideal model delta sigma weight residual 110.79 120.58 -9.79 1.66e+00 3.63e-01 3.48e+01 angle pdb=" CA CYS D 682 " pdb=" C CYS D 682 " pdb=" N ASN D 683 " ideal model delta sigma weight residual 117.30 123.59 -6.29 1.16e+00 7.43e-01 2.94e+01 ... (remaining 37699 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.49: 10666 17.49 - 34.99: 386 34.99 - 52.48: 182 52.48 - 69.98: 105 69.98 - 87.47: 11 Dihedral angle restraints: 11350 sinusoidal: 3966 harmonic: 7384 Sorted by residual: dihedral pdb=" CA TRP A 171 " pdb=" C TRP A 171 " pdb=" N PRO A 172 " pdb=" CA PRO A 172 " ideal model delta harmonic sigma weight residual 180.00 136.81 43.19 0 5.00e+00 4.00e-02 7.46e+01 dihedral pdb=" CB CYS D 330 " pdb=" SG CYS D 330 " pdb=" SG CYS C 330 " pdb=" CB CYS C 330 " ideal model delta sinusoidal sigma weight residual -86.00 -28.16 -57.84 1 1.00e+01 1.00e-02 4.49e+01 dihedral pdb=" CA ARG A 224 " pdb=" C ARG A 224 " pdb=" N GLN A 225 " pdb=" CA GLN A 225 " ideal model delta harmonic sigma weight residual 180.00 153.50 26.50 0 5.00e+00 4.00e-02 2.81e+01 ... (remaining 11347 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.062: 2180 0.062 - 0.123: 314 0.123 - 0.185: 9 0.185 - 0.247: 1 0.247 - 0.308: 1 Chirality restraints: 2505 Sorted by residual: chirality pdb=" CA CYS D 680 " pdb=" N CYS D 680 " pdb=" C CYS D 680 " pdb=" CB CYS D 680 " both_signs ideal model delta sigma weight residual False 2.51 2.82 -0.31 2.00e-01 2.50e+01 2.37e+00 chirality pdb=" CG LEU C 720 " pdb=" CB LEU C 720 " pdb=" CD1 LEU C 720 " pdb=" CD2 LEU C 720 " both_signs ideal model delta sigma weight residual False -2.59 -2.38 -0.21 2.00e-01 2.50e+01 1.12e+00 chirality pdb=" CG LEU A 236 " pdb=" CB LEU A 236 " pdb=" CD1 LEU A 236 " pdb=" CD2 LEU A 236 " both_signs ideal model delta sigma weight residual False -2.59 -2.41 -0.18 2.00e-01 2.50e+01 8.06e-01 ... (remaining 2502 not shown) Planarity restraints: 5000 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB ASN D 683 " 0.201 2.00e-02 2.50e+03 2.25e-01 7.57e+02 pdb=" CG ASN D 683 " -0.013 2.00e-02 2.50e+03 pdb=" OD1 ASN D 683 " -0.193 2.00e-02 2.50e+03 pdb=" ND2 ASN D 683 " -0.004 2.00e-02 2.50e+03 pdb="HD21 ASN D 683 " -0.330 2.00e-02 2.50e+03 pdb="HD22 ASN D 683 " 0.340 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C GLN D 681 " 0.022 2.00e-02 2.50e+03 4.05e-02 1.64e+01 pdb=" N CYS D 682 " -0.070 2.00e-02 2.50e+03 pdb=" CA CYS D 682 " 0.018 2.00e-02 2.50e+03 pdb=" H CYS D 682 " 0.029 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C ASN D 683 " 0.017 2.00e-02 2.50e+03 3.28e-02 1.08e+01 pdb=" N VAL D 684 " -0.057 2.00e-02 2.50e+03 pdb=" CA VAL D 684 " 0.016 2.00e-02 2.50e+03 pdb=" H VAL D 684 " 0.024 2.00e-02 2.50e+03 ... (remaining 4997 not shown) Histogram of nonbonded interaction distances: 1.45 - 2.08: 296 2.08 - 2.71: 28721 2.71 - 3.34: 56823 3.34 - 3.97: 58528 3.97 - 4.60: 90983 Nonbonded interactions: 235351 Sorted by model distance: nonbonded pdb=" OG1 THR D 766 " pdb=" H GLU D 769 " model vdw 1.453 2.450 nonbonded pdb=" O PRO A 193 " pdb="HE21 GLN A 195 " model vdw 1.476 2.450 nonbonded pdb=" O SER A 595 " pdb=" H ILE A 599 " model vdw 1.514 2.450 nonbonded pdb=" O SER B 480 " pdb=" H ASN B 484 " model vdw 1.571 2.450 nonbonded pdb=" OE1 GLU A 390 " pdb=" H GLU A 390 " model vdw 1.581 2.450 ... (remaining 235346 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 10 and (name N or name CA or name C or name O or name CB \ or name HA )) or resid 11 through 34 or (resid 35 and (name N or name CA or name \ C or name O or name CB or name HA )) or resid 36 through 49 or resid 55 or (res \ id 64 and (name N or name CA or name C or name O or name CB or name HA )) or res \ id 65 through 106 or (resid 107 and (name N or name CA or name C or name O or na \ me CB or name HA )) or resid 108 through 165 or (resid 166 and (name N or name C \ A or name C or name O or name H )) or (resid 167 through 171 and (name N or name \ CA or name C or name O or name CB or name H or name HA )) or resid 172 or (resi \ d 173 through 183 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or (resid 192 through 193 and (name N or name CA or name C or na \ me O or name CB or name HA )) or (resid 194 through 200 and (name N or name CA o \ r name C or name O or name CB or name H or name HA )) or (resid 201 and (name N \ or name CA or name C or name O or name CB or name HA )) or (resid 202 through 23 \ 2 and (name N or name CA or name C or name O or name CB or name H or name HA )) \ or (resid 233 and (name N or name CA or name C or name O or name H )) or (resid \ 234 through 239 and (name N or name CA or name C or name O or name CB or name H \ or name HA )) or (resid 240 and (name N or name CA or name C or name O or name H \ )) or (resid 241 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or (resid 242 and (name N or name CA or name C or name O or name \ CB )) or (resid 243 through 258 and (name N or name CA or name C or name O or n \ ame CB or name H or name HA )) or (resid 259 through 260 and (name N or name CA \ or name C or name O or name H )) or (resid 261 and (name N or name CA or name C \ or name O or name CB or name H or name HA )) or (resid 262 and (name N or name C \ A or name C or name O or name CB or name HA )) or (resid 263 through 264 and (na \ me N or name CA or name C or name O or name CB or name H or name HA )) or (resid \ 265 and (name N or name CA or name C or name O or name CB or name HA )) or (res \ id 266 through 293 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or (resid 294 and (name N or name CA or name C or name O or nam \ e CB or name HA )) or (resid 295 through 303 and (name N or name CA or name C or \ name O or name CB or name H or name HA )) or (resid 304 through 393 and (name N \ or name CA or name C or name O or name CB or name H or name HA )) or (resid 394 \ and (name N or name CA or name C or name O or name H )) or (resid 395 and (name \ N or name CA or name C or name O or name CB or name HA )) or (resid 396 through \ 413 and (name N or name CA or name C or name O or name CB or name H or name HA \ )) or resid 453 through 509 or (resid 529 and (name N or name CA or name C or na \ me O or name CB or name HA )) or resid 530 through 915 or resid 928 through 948) \ ) selection = (chain 'B' and (resid 10 through 26 or (resid 27 and (name N or name CA or name \ C or name O or name CB or name HA )) or resid 28 through 241 or (resid 242 and ( \ name N or name CA or name C or name O or name CB )) or resid 243 through 413 or \ (resid 453 and (name N or name CA or name C or name O or name CB or name HA )) o \ r resid 454 through 493 or (resid 494 through 500 and (name N or name CA or name \ C or name O or name CB or name H or name HA )) or resid 501 through 509 or resi \ d 529 through 735 or (resid 778 and (name N or name CA or name C or name O or na \ me CB or name HA )) or resid 779 through 821 or (resid 822 and (name N or name C \ A or name C or name O or name CB )) or resid 823 through 948)) } ncs_group { reference = (chain 'C' and (resid 301 through 303 or (resid 304 through 308 and (name N or n \ ame CA or name C or name O or name CB or name H or name HA )) or resid 309 throu \ gh 310 or (resid 311 through 313 and (name N or name CA or name C or name O or n \ ame CB or name H or name HA )) or resid 314 or (resid 315 through 317 and (name \ N or name CA or name C or name O or name CB or name H or name HA )) or resid 318 \ through 332 or (resid 333 and (name N or name CA or name C or name O or name CB \ or name H or name HA )) or resid 334 through 337 or (resid 369 and (name N or n \ ame CA or name C or name O or name CB or name OG or name HA or name HB2 or name \ HB3 or name HG )) or (resid 370 and (name N or name CA or name C or name O or na \ me CB or name H or name HA )) or resid 371 or (resid 372 and (name N or name CA \ or name C or name O or name CB or name H or name HA )) or resid 373 through 376 \ or (resid 377 and (name N or name CA or name C or name O or name CB or name H or \ name HA )) or resid 378 or (resid 379 through 381 and (name N or name CA or nam \ e C or name O or name CB or name H or name HA )) or resid 382 through 386 or (re \ sid 387 through 389 and (name N or name CA or name C or name O or name CB or nam \ e H or name HA )) or resid 390 through 391 or (resid 392 and (name N or name CA \ or name C or name O or name CB or name H or name HA )) or resid 393 or (resid 39 \ 4 through 402 and (name N or name CA or name C or name O or name CB or name H or \ name HA )) or resid 403 through 410 or (resid 411 and (name N or name CA or nam \ e C or name O or name CB or name H or name HA )) or resid 412 through 420 or (re \ sid 421 and (name N or name CA or name C or name O or name CB or name HA )) or r \ esid 422 or (resid 423 and (name N or name CA or name C or name O or name CB or \ name H or name HA )) or resid 424 through 425 or (resid 426 through 427 and (nam \ e N or name CA or name C or name O or name CB or name H or name HA )) or resid 4 \ 28 through 437 or (resid 467 and (name N or name CA or name C or name O or name \ CB or name OG or name HA or name HB2 or name HB3 or name HG )) or resid 468 thro \ ugh 469 or (resid 470 through 471 and (name N or name CA or name C or name O or \ name CB or name H or name HA )) or resid 472 through 476 or (resid 477 and (name \ N or name CA or name C or name O or name CB or name H or name HA )) or resid 47 \ 8 through 479 or (resid 480 through 489 and (name N or name CA or name C or name \ O or name CB or name H or name HA )) or resid 490 or (resid 491 through 493 and \ (name N or name CA or name C or name O or name CB or name H or name HA )) or re \ sid 494 through 495 or (resid 496 through 497 and (name N or name CA or name C o \ r name O or name CB or name H or name HA )) or resid 498 through 499 or resid 50 \ 1 or (resid 535 through 536 and (name N or name CA or name C or name O or name C \ B or name H or name HA )) or resid 537 through 541 or (resid 542 through 546 and \ (name N or name CA or name C or name O or name CB or name H or name HA )) or re \ sid 547 through 552 or (resid 553 and (name N or name CA or name C or name O or \ name CB or name H or name HA )) or resid 554 through 555 or (resid 556 through 5 \ 57 and (name N or name CA or name C or name O or name CB or name H or name HA )) \ or resid 558 through 567 or (resid 568 through 571 and (name N or name CA or na \ me C or name O or name CB or name H or name HA )) or resid 572 through 578 or (r \ esid 579 through 580 and (name N or name CA or name C or name O or name CB or na \ me H or name HA )) or (resid 581 and (name N or name CA or name C or name O or n \ ame CB or name HA )) or (resid 582 through 584 and (name N or name CA or name C \ or name O or name CB or name H or name HA )) or resid 585 through 595 or (resid \ 596 and (name N or name CA or name C or name O or name CB or name HA )) or (resi \ d 597 through 598 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or resid 599 through 603 or (resid 604 through 605 and (name N o \ r name CA or name C or name O or name CB or name H or name HA )) or resid 606 or \ (resid 607 through 608 and (name N or name CA or name C or name O or name CB or \ name H or name HA )) or resid 609 or (resid 610 through 611 and (name N or name \ CA or name C or name O or name CB or name H or name HA )) or resid 612 through \ 620 or (resid 621 and (name N or name CA or name C or name O or name CB or name \ HA )) or (resid 622 through 623 and (name N or name CA or name C or name O or na \ me CB or name H or name HA )) or resid 624 or (resid 625 and (name N or name CA \ or name C or name O or name CB or name H or name HA )) or resid 626 or (resid 62 \ 7 and (name N or name CA or name C or name O or name CB or name H or name HA )) \ or resid 628 through 634 or (resid 635 through 642 and (name N or name CA or nam \ e C or name O or name CB or name H or name HA )) or resid 643 through 651 or (re \ sid 652 and (name N or name CA or name C or name O or name CB or name H or name \ HA )) or resid 653 through 654 or (resid 655 and (name N or name CA or name C or \ name O or name CB or name H or name HA )) or resid 656 through 661 or (resid 66 \ 2 through 663 and (name N or name CA or name C or name O or name CB or name H or \ name HA )) or resid 664 or (resid 665 through 666 and (name N or name CA or nam \ e C or name O or name CB or name H or name HA )) or resid 667 through 670 or (re \ sid 680 and (name N or name CA or name C or name O or name CB or name SG or name \ HA or name HB2 or name HB3)) or (resid 681 and (name N or name CA or name C or \ name O or name CB or name H or name HA )) or resid 682 through 692 or (resid 693 \ through 699 and (name N or name CA or name C or name O or name CB or name H or \ name HA )) or resid 700 or (resid 701 through 703 and (name N or name CA or name \ C or name O or name CB or name H or name HA )) or resid 704 through 706 or (res \ id 707 through 708 and (name N or name CA or name C or name O or name CB or name \ HA )) or resid 709 through 710 or (resid 711 and (name N or name CA or name C o \ r name O or name CB or name H or name HA )) or resid 712 through 719 or (resid 7 \ 20 through 721 and (name N or name CA or name C or name O or name CB or name H o \ r name HA )) or resid 722 through 723 or (resid 724 through 728 and (name N or n \ ame CA or name C or name O or name CB or name H or name HA )) or resid 729 throu \ gh 738 or (resid 739 through 740 and (name N or name CA or name C or name O or n \ ame CB or name H or name HA )) or resid 741 through 743 or (resid 744 through 74 \ 5 and (name N or name CA or name C or name O or name CB or name H or name HA )) \ or resid 746 through 750 or (resid 751 and (name N or name CA or name C or name \ O or name CB or name H or name HA )) or resid 752 through 754 or (resid 755 thro \ ugh 756 and (name N or name CA or name C or name O or name CB or name H or name \ HA )) or resid 757 through 778 or resid 801)) selection = (chain 'D' and ((resid 301 and (name N or name CA or name C or name O or name CB \ or name HA )) or resid 302 through 318 or (resid 319 and (name N or name CA or \ name C or name O or name CB or name H or name HA )) or (resid 320 through 322 an \ d (name N or name CA or name C or name O or name CB or name H or name HA )) or r \ esid 323 through 327 or (resid 328 through 329 and (name N or name CA or name C \ or name O or name CB or name H or name HA )) or resid 330 through 375 or (resid \ 376 through 377 and (name N or name CA or name C or name O or name CB or name H \ or name HA )) or resid 378 through 390 or (resid 391 through 392 and (name N or \ name CA or name C or name O or name CB or name H or name HA )) or resid 393 thro \ ugh 396 or (resid 402 and (name N or name CA or name C or name O or name CB or n \ ame H or name HA )) or resid 403 through 405 or (resid 406 and (name N or name C \ A or name C or name O or name CB or name H or name HA )) or resid 407 through 41 \ 2 or (resid 413 and (name N or name CA or name C or name O or name CB or name H \ or name HA )) or resid 414 through 418 or (resid 419 through 420 and (name N or \ name CA or name C or name O or name CB or name H or name HA )) or resid 421 thro \ ugh 426 or (resid 427 and (name N or name CA or name C or name O or name CB or n \ ame H or name HA )) or resid 428 through 430 or (resid 431 and (name N or name C \ A or name C or name O or name CB or name H or name HA )) or resid 432 through 43 \ 4 or (resid 435 and (name N or name CA or name C or name O or name CB or name H \ or name HA )) or resid 436 or (resid 437 and (name N or name CA or name C or nam \ e O or name CB or name H or name HA )) or resid 467 through 473 or (resid 474 an \ d (name N or name CA or name C or name O or name CB or name H or name HA )) or r \ esid 475 through 482 or (resid 483 through 489 and (name N or name CA or name C \ or name O or name CB or name H or name HA )) or resid 490 through 499 or resid 5 \ 34 or (resid 535 through 536 and (name N or name CA or name C or name O or name \ CB or name H or name HA )) or resid 537 or (resid 538 through 546 and (name N or \ name CA or name C or name O or name CB or name H or name HA )) or resid 547 thr \ ough 561 or (resid 562 and (name N or name CA or name C or name O or name CB or \ name H or name HA )) or resid 563 or (resid 564 through 566 and (name N or name \ CA or name C or name O or name CB or name H or name HA )) or resid 567 through 5 \ 68 or (resid 569 through 571 and (name N or name CA or name C or name O or name \ CB or name H or name HA )) or resid 572 through 575 or (resid 576 through 580 an \ d (name N or name CA or name C or name O or name CB or name H or name HA )) or r \ esid 581 or (resid 582 through 584 and (name N or name CA or name C or name O or \ name CB or name H or name HA )) or resid 585 through 587 or (resid 588 through \ 590 and (name N or name CA or name C or name O or name CB or name H or name HA ) \ ) or resid 591 or (resid 592 and (name N or name CA or name C or name O or name \ CB or name H or name HA )) or resid 593 through 594 or (resid 595 and (name N or \ name CA or name C or name O or name CB or name H or name HA )) or resid 596 thr \ ough 602 or (resid 603 through 605 and (name N or name CA or name C or name O or \ name CB or name H or name HA )) or resid 606 through 610 or (resid 611 and (nam \ e N or name CA or name C or name O or name CB or name H or name HA )) or resid 6 \ 12 or (resid 613 and (name N or name CA or name C or name O or name CB or name H \ or name HA )) or resid 614 through 635 or (resid 636 through 642 and (name N or \ name CA or name C or name O or name CB or name H or name HA )) or (resid 643 an \ d (name N or name CA or name C or name O or name CB or name HA )) or (resid 644 \ through 646 and (name N or name CA or name C or name O or name CB or name H or n \ ame HA )) or resid 647 through 650 or (resid 651 through 652 and (name N or name \ CA or name C or name O or name CB or name H or name HA )) or resid 653 or (resi \ d 654 through 655 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or resid 656 or (resid 657 and (name N or name CA or name C or n \ ame O or name CB or name H or name HA )) or resid 658 through 669 or (resid 670 \ and (name N or name CA or name C or name O or name CB or name H or name HA )) or \ resid 680 through 682 or (resid 683 through 684 and (name N or name CA or name \ C or name O or name CB or name H or name HA )) or resid 685 through 701 or (resi \ d 702 through 703 and (name N or name CA or name C or name O or name CB or name \ H or name HA )) or resid 704 through 717 or (resid 718 and (name N or name CA or \ name C or name O or name CB or name H or name HA )) or resid 719 through 724 or \ (resid 725 through 728 and (name N or name CA or name C or name O or name CB or \ name H or name HA )) or resid 729 through 733 or (resid 734 through 740 and (na \ me N or name CA or name C or name O or name CB or name H or name HA )) or resid \ 741 through 755 or (resid 756 and (name N or name CA or name C or name O or name \ CB or name H or name HA )) or resid 757 through 758 or (resid 759 through 760 a \ nd (name N or name CA or name C or name O or name CB or name H or name HA )) or \ resid 761 through 763 or (resid 764 through 765 and (name N or name CA or name C \ or name O or name CB or name H or name HA )) or resid 766 through 775 or (resid \ 776 and (name N or name CA or name C or name O or name CB or name H or name HA \ )) or resid 777 through 778 or resid 801)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.560 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: 0.510 Extract box with map and model: 0.810 Check model and map are aligned: 0.140 Set scattering table: 0.180 Process input model: 60.900 Find NCS groups from input model: 0.970 Set up NCS constraints: 0.130 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:3.230 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 72.440 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7709 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 : 0.014 1.175 13684 Z= 0.530 Angle : 0.706 20.548 18915 Z= 0.470 Chirality : 0.038 0.308 2505 Planarity : 0.004 0.040 2653 Dihedral : 11.578 86.356 3406 Min Nonbonded Distance : 1.861 Molprobity Statistics. All-atom Clashscore : 13.34 Ramachandran Plot: Outliers : 0.12 % Allowed : 2.35 % Favored : 97.52 % Rotamer: Outliers : 0.89 % Allowed : 6.01 % Favored : 93.10 % Cbeta Deviations : 0.04 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.03 (0.15), residues: 2423 helix: 0.47 (0.10), residues: 1778 sheet: None (None), residues: 0 loop : -1.00 (0.22), residues: 645 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.002 TRP C 652 HIS 0.008 0.003 HIS D 418 PHE 0.020 0.002 PHE A 178 TYR 0.025 0.001 TYR A 397 ARG 0.022 0.002 ARG D 714 Details of bonding type rmsd hydrogen bonds : bond 0.15155 ( 1378) hydrogen bonds : angle 6.39740 ( 4122) metal coordination : bond 0.60428 ( 6) SS BOND : bond 0.02226 ( 2) SS BOND : angle 2.61219 ( 4) covalent geometry : bond 0.00580 (13676) covalent geometry : angle 0.70512 (18911) *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 193 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 4 poor density : 189 time to evaluate : 2.057 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 195 GLN cc_start: 0.8661 (mm-40) cc_final: 0.8004 (tp40) REVERT: A 279 HIS cc_start: 0.8199 (m-70) cc_final: 0.7936 (m90) REVERT: D 566 LYS cc_start: 0.8998 (mttt) cc_final: 0.8766 (ttmt) REVERT: D 782 ASP cc_start: 0.7089 (t0) cc_final: 0.6344 (m-30) REVERT: C 685 GLU cc_start: 0.8514 (tm-30) cc_final: 0.8136 (tm-30) outliers start: 4 outliers final: 4 residues processed: 193 average time/residue: 0.4063 time to fit residues: 123.5389 Evaluate side-chains 158 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 4 poor density : 154 time to evaluate : 2.194 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 206 optimal weight: 8.9990 chunk 185 optimal weight: 2.9990 chunk 103 optimal weight: 0.9980 chunk 63 optimal weight: 10.0000 chunk 125 optimal weight: 0.8980 chunk 99 optimal weight: 30.0000 chunk 192 optimal weight: 5.9990 chunk 74 optimal weight: 0.9990 chunk 116 optimal weight: 6.9990 chunk 142 optimal weight: 9.9990 chunk 222 optimal weight: 8.9990 overall best weight: 2.3786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 201 ASN A 225 GLN D 424 GLN D 563 GLN C 303 GLN C 424 GLN C 432 GLN ** C 536 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 681 GLN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3715 r_free = 0.3715 target = 0.082336 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 50)----------------| | r_work = 0.3437 r_free = 0.3437 target = 0.069661 restraints weight = 202950.186| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 40)----------------| | r_work = 0.3472 r_free = 0.3472 target = 0.071322 restraints weight = 134510.461| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 38)----------------| | r_work = 0.3498 r_free = 0.3498 target = 0.072506 restraints weight = 99436.498| |-----------------------------------------------------------------------------| r_work (final): 0.3485 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7747 moved from start: 0.1505 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.068 13684 Z= 0.185 Angle : 0.506 7.902 18915 Z= 0.318 Chirality : 0.035 0.142 2505 Planarity : 0.003 0.040 2653 Dihedral : 4.803 42.000 2467 Min Nonbonded Distance : 2.345 Molprobity Statistics. All-atom Clashscore : 6.32 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.01 % Favored : 96.99 % Rotamer: Outliers : 0.00 % Allowed : 3.12 % Favored : 96.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.45 (0.16), residues: 2423 helix: 1.58 (0.12), residues: 1832 sheet: None (None), residues: 0 loop : -0.94 (0.25), residues: 591 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP C 652 HIS 0.005 0.001 HIS A 279 PHE 0.014 0.001 PHE C 370 TYR 0.019 0.001 TYR A 397 ARG 0.005 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.05034 ( 1378) hydrogen bonds : angle 5.23868 ( 4122) metal coordination : bond 0.04432 ( 6) SS BOND : bond 0.00600 ( 2) SS BOND : angle 2.16073 ( 4) covalent geometry : bond 0.00300 (13676) covalent geometry : angle 0.50540 (18911) *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 188 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 188 time to evaluate : 1.893 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: 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 195 GLN cc_start: 0.8735 (mm-40) cc_final: 0.8255 (tp40) REVERT: A 275 GLU cc_start: 0.8947 (tt0) cc_final: 0.8569 (tt0) REVERT: A 279 HIS cc_start: 0.8614 (m-70) cc_final: 0.8092 (m-70) REVERT: D 685 GLU cc_start: 0.8863 (tp30) cc_final: 0.8575 (tp30) REVERT: D 782 ASP cc_start: 0.7477 (t0) cc_final: 0.6576 (m-30) REVERT: C 332 LEU cc_start: 0.8995 (mt) cc_final: 0.8792 (mt) REVERT: C 685 GLU cc_start: 0.8778 (tm-30) cc_final: 0.8348 (tm-30) REVERT: C 767 ASP cc_start: 0.8479 (t70) cc_final: 0.8218 (t0) outliers start: 0 outliers final: 0 residues processed: 188 average time/residue: 0.3948 time to fit residues: 115.2789 Evaluate side-chains 163 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 163 time to evaluate : 2.029 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 197 optimal weight: 4.9990 chunk 47 optimal weight: 10.0000 chunk 127 optimal weight: 20.0000 chunk 44 optimal weight: 10.0000 chunk 96 optimal weight: 9.9990 chunk 118 optimal weight: 10.0000 chunk 94 optimal weight: 20.0000 chunk 167 optimal weight: 3.9990 chunk 13 optimal weight: 6.9990 chunk 216 optimal weight: 0.7980 chunk 3 optimal weight: 9.9990 overall best weight: 5.3588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 195 GLN C 380 ASN C 387 ASN ** C 536 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3659 r_free = 0.3659 target = 0.080098 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 55)----------------| | r_work = 0.3398 r_free = 0.3398 target = 0.068687 restraints weight = 215144.619| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 46)----------------| | r_work = 0.3430 r_free = 0.3430 target = 0.070155 restraints weight = 145417.334| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 46)----------------| | r_work = 0.3453 r_free = 0.3453 target = 0.071202 restraints weight = 108520.782| |-----------------------------------------------------------------------------| r_work (final): 0.3427 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7870 moved from start: 0.2322 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.047 13684 Z= 0.295 Angle : 0.600 6.448 18915 Z= 0.386 Chirality : 0.037 0.153 2505 Planarity : 0.004 0.046 2653 Dihedral : 5.024 40.197 2467 Min Nonbonded Distance : 2.288 Molprobity Statistics. All-atom Clashscore : 8.21 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.12 % Favored : 94.88 % Rotamer: Outliers : 0.00 % Allowed : 3.34 % Favored : 96.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.72 (0.17), residues: 2423 helix: 1.11 (0.12), residues: 1830 sheet: -3.43 (1.52), residues: 10 loop : -1.39 (0.24), residues: 583 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRP C 698 HIS 0.008 0.002 HIS C 331 PHE 0.016 0.002 PHE C 370 TYR 0.023 0.001 TYR A 397 ARG 0.003 0.001 ARG A 215 Details of bonding type rmsd hydrogen bonds : bond 0.05224 ( 1378) hydrogen bonds : angle 5.61950 ( 4122) metal coordination : bond 0.01238 ( 6) SS BOND : bond 0.01020 ( 2) SS BOND : angle 2.03122 ( 4) covalent geometry : bond 0.00471 (13676) covalent geometry : angle 0.59975 (18911) *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 174 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 174 time to evaluate : 1.826 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 279 HIS cc_start: 0.8510 (m-70) cc_final: 0.8218 (t-170) REVERT: A 283 MET cc_start: 0.8184 (mmt) cc_final: 0.7891 (mmm) REVERT: A 286 ASP cc_start: 0.8986 (m-30) cc_final: 0.8754 (m-30) REVERT: D 563 GLN cc_start: 0.9052 (mm-40) cc_final: 0.8800 (tp-100) REVERT: C 767 ASP cc_start: 0.8695 (t70) cc_final: 0.8487 (t0) outliers start: 0 outliers final: 0 residues processed: 174 average time/residue: 0.3353 time to fit residues: 91.6215 Evaluate side-chains 153 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 153 time to evaluate : 1.727 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 211 optimal weight: 2.9990 chunk 3 optimal weight: 10.0000 chunk 140 optimal weight: 0.9990 chunk 9 optimal weight: 9.9990 chunk 162 optimal weight: 9.9990 chunk 63 optimal weight: 0.9990 chunk 29 optimal weight: 6.9990 chunk 242 optimal weight: 1.9990 chunk 143 optimal weight: 30.0000 chunk 110 optimal weight: 9.9990 chunk 95 optimal weight: 6.9990 overall best weight: 2.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 387 ASN C 418 HIS C 536 HIS Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3688 r_free = 0.3688 target = 0.081376 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 50)----------------| | r_work = 0.3425 r_free = 0.3425 target = 0.069812 restraints weight = 216261.317| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 41)----------------| | r_work = 0.3458 r_free = 0.3458 target = 0.071338 restraints weight = 145336.768| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 44)----------------| | r_work = 0.3481 r_free = 0.3481 target = 0.072385 restraints weight = 108235.785| |-----------------------------------------------------------------------------| r_work (final): 0.3453 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7824 moved from start: 0.2613 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.065 13684 Z= 0.174 Angle : 0.484 5.709 18915 Z= 0.304 Chirality : 0.035 0.141 2505 Planarity : 0.003 0.046 2653 Dihedral : 4.661 39.162 2467 Min Nonbonded Distance : 2.283 Molprobity Statistics. All-atom Clashscore : 5.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.70 % Favored : 95.30 % Rotamer: Outliers : 0.00 % Allowed : 1.78 % Favored : 98.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.56 (0.17), residues: 2423 helix: 1.74 (0.12), residues: 1834 sheet: -3.44 (1.64), residues: 10 loop : -1.19 (0.25), residues: 579 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.001 TRP C 698 HIS 0.004 0.001 HIS D 418 PHE 0.019 0.001 PHE C 383 TYR 0.021 0.001 TYR A 397 ARG 0.002 0.000 ARG D 760 Details of bonding type rmsd hydrogen bonds : bond 0.04342 ( 1378) hydrogen bonds : angle 4.94452 ( 4122) metal coordination : bond 0.00516 ( 6) SS BOND : bond 0.01835 ( 2) SS BOND : angle 1.80151 ( 4) covalent geometry : bond 0.00284 (13676) covalent geometry : angle 0.48300 (18911) *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 175 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 175 time to evaluate : 1.794 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 206 GLU cc_start: 0.8827 (mt-10) cc_final: 0.8481 (mt-10) REVERT: A 279 HIS cc_start: 0.8542 (m-70) cc_final: 0.8227 (t-170) REVERT: A 283 MET cc_start: 0.8174 (mmt) cc_final: 0.7920 (mmm) REVERT: A 286 ASP cc_start: 0.8959 (m-30) cc_final: 0.8676 (m-30) REVERT: D 330 CYS cc_start: 0.6394 (m) cc_final: 0.6075 (m) REVERT: D 408 PHE cc_start: 0.8168 (m-80) cc_final: 0.7833 (m-80) REVERT: C 767 ASP cc_start: 0.8658 (t70) cc_final: 0.8450 (t0) outliers start: 0 outliers final: 0 residues processed: 175 average time/residue: 0.3432 time to fit residues: 94.7110 Evaluate side-chains 157 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 157 time to evaluate : 1.904 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 205 optimal weight: 6.9990 chunk 126 optimal weight: 0.9980 chunk 91 optimal weight: 3.9990 chunk 132 optimal weight: 9.9990 chunk 66 optimal weight: 0.8980 chunk 144 optimal weight: 9.9990 chunk 79 optimal weight: 4.9990 chunk 141 optimal weight: 10.0000 chunk 224 optimal weight: 3.9990 chunk 109 optimal weight: 9.9990 chunk 143 optimal weight: 20.0000 overall best weight: 2.9786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 279 HIS Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3679 r_free = 0.3679 target = 0.080907 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 50)----------------| | r_work = 0.3415 r_free = 0.3415 target = 0.069337 restraints weight = 215846.597| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 41)----------------| | r_work = 0.3448 r_free = 0.3448 target = 0.070857 restraints weight = 145080.637| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 37)----------------| | r_work = 0.3471 r_free = 0.3471 target = 0.071882 restraints weight = 107989.660| |-----------------------------------------------------------------------------| r_work (final): 0.3444 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7838 moved from start: 0.2999 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.053 13684 Z= 0.184 Angle : 0.478 5.541 18915 Z= 0.301 Chirality : 0.035 0.138 2505 Planarity : 0.003 0.048 2653 Dihedral : 4.437 36.015 2467 Min Nonbonded Distance : 2.292 Molprobity Statistics. All-atom Clashscore : 5.12 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.49 % Favored : 94.51 % Rotamer: Outliers : 0.00 % Allowed : 2.67 % Favored : 97.33 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.91 (0.17), residues: 2423 helix: 2.03 (0.12), residues: 1836 sheet: -4.17 (1.14), residues: 10 loop : -1.18 (0.25), residues: 577 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP C 698 HIS 0.004 0.001 HIS D 418 PHE 0.015 0.001 PHE A 256 TYR 0.018 0.001 TYR A 397 ARG 0.003 0.000 ARG D 376 Details of bonding type rmsd hydrogen bonds : bond 0.04082 ( 1378) hydrogen bonds : angle 4.74908 ( 4122) metal coordination : bond 0.00417 ( 6) SS BOND : bond 0.00893 ( 2) SS BOND : angle 1.20141 ( 4) covalent geometry : bond 0.00301 (13676) covalent geometry : angle 0.47815 (18911) *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 179 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 179 time to evaluate : 1.888 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 195 GLN cc_start: 0.8633 (mm110) cc_final: 0.8200 (tp40) REVERT: A 206 GLU cc_start: 0.8823 (mt-10) cc_final: 0.8474 (mt-10) REVERT: A 286 ASP cc_start: 0.8906 (m-30) cc_final: 0.8614 (m-30) REVERT: D 408 PHE cc_start: 0.8147 (m-80) cc_final: 0.7790 (m-80) REVERT: D 654 GLN cc_start: 0.8935 (tm-30) cc_final: 0.8550 (tm-30) REVERT: D 782 ASP cc_start: 0.7215 (t0) cc_final: 0.7013 (t0) outliers start: 0 outliers final: 0 residues processed: 179 average time/residue: 0.3438 time to fit residues: 96.7445 Evaluate side-chains 159 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 159 time to evaluate : 1.946 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 146 optimal weight: 9.9990 chunk 153 optimal weight: 8.9990 chunk 193 optimal weight: 5.9990 chunk 62 optimal weight: 10.0000 chunk 4 optimal weight: 7.9990 chunk 100 optimal weight: 0.9990 chunk 71 optimal weight: 9.9990 chunk 102 optimal weight: 9.9990 chunk 136 optimal weight: 7.9990 chunk 129 optimal weight: 9.9990 chunk 190 optimal weight: 0.9990 overall best weight: 4.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 712 GLN Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3645 r_free = 0.3645 target = 0.079301 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3378 r_free = 0.3378 target = 0.067845 restraints weight = 216028.142| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 42)----------------| | r_work = 0.3411 r_free = 0.3411 target = 0.069295 restraints weight = 145833.579| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 38)----------------| | r_work = 0.3434 r_free = 0.3434 target = 0.070299 restraints weight = 108832.510| |-----------------------------------------------------------------------------| r_work (final): 0.3406 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7897 moved from start: 0.3407 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.044 13684 Z= 0.255 Angle : 0.540 5.632 18915 Z= 0.349 Chirality : 0.036 0.140 2505 Planarity : 0.004 0.048 2653 Dihedral : 4.686 35.984 2467 Min Nonbonded Distance : 2.267 Molprobity Statistics. All-atom Clashscore : 6.51 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.94 % Favored : 94.06 % Rotamer: Outliers : 0.00 % Allowed : 3.12 % Favored : 96.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.19 (0.17), residues: 2423 helix: 1.49 (0.12), residues: 1854 sheet: -4.63 (0.99), residues: 10 loop : -1.45 (0.26), residues: 559 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP C 698 HIS 0.013 0.002 HIS A 279 PHE 0.021 0.001 PHE C 383 TYR 0.022 0.001 TYR A 397 ARG 0.014 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.04425 ( 1378) hydrogen bonds : angle 5.16384 ( 4122) metal coordination : bond 0.00591 ( 6) SS BOND : bond 0.01906 ( 2) SS BOND : angle 1.98768 ( 4) covalent geometry : bond 0.00406 (13676) covalent geometry : angle 0.53905 (18911) *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 168 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 168 time to evaluate : 2.672 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 195 GLN cc_start: 0.8589 (mm110) cc_final: 0.8221 (tp40) REVERT: D 408 PHE cc_start: 0.8177 (m-80) cc_final: 0.7815 (m-80) REVERT: D 782 ASP cc_start: 0.7257 (t0) cc_final: 0.7033 (t0) REVERT: C 774 ASP cc_start: 0.9181 (m-30) cc_final: 0.8975 (m-30) outliers start: 0 outliers final: 0 residues processed: 168 average time/residue: 0.4395 time to fit residues: 118.6396 Evaluate side-chains 148 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 148 time to evaluate : 2.618 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 92 optimal weight: 20.0000 chunk 111 optimal weight: 0.9980 chunk 219 optimal weight: 7.9990 chunk 33 optimal weight: 0.5980 chunk 231 optimal weight: 3.9990 chunk 5 optimal weight: 9.9990 chunk 214 optimal weight: 0.6980 chunk 71 optimal weight: 3.9990 chunk 106 optimal weight: 10.0000 chunk 60 optimal weight: 4.9990 chunk 83 optimal weight: 20.0000 overall best weight: 2.0584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3675 r_free = 0.3675 target = 0.080702 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 59)----------------| | r_work = 0.3411 r_free = 0.3411 target = 0.069154 restraints weight = 213380.854| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 47)----------------| | r_work = 0.3445 r_free = 0.3445 target = 0.070666 restraints weight = 142377.784| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 57)----------------| | r_work = 0.3469 r_free = 0.3469 target = 0.071739 restraints weight = 105251.420| |-----------------------------------------------------------------------------| r_work (final): 0.3440 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7842 moved from start: 0.3560 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.051 13684 Z= 0.147 Angle : 0.468 5.458 18915 Z= 0.289 Chirality : 0.036 0.146 2505 Planarity : 0.003 0.047 2653 Dihedral : 4.440 34.832 2467 Min Nonbonded Distance : 2.276 Molprobity Statistics. All-atom Clashscore : 5.12 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.28 % Favored : 94.72 % Rotamer: Outliers : 0.00 % Allowed : 0.89 % Favored : 99.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.93 (0.18), residues: 2423 helix: 2.06 (0.12), residues: 1847 sheet: -4.70 (0.96), residues: 10 loop : -1.29 (0.26), residues: 566 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.001 TRP C 698 HIS 0.004 0.001 HIS D 418 PHE 0.018 0.001 PHE A 256 TYR 0.017 0.001 TYR A 397 ARG 0.006 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.03919 ( 1378) hydrogen bonds : angle 4.61916 ( 4122) metal coordination : bond 0.00321 ( 6) SS BOND : bond 0.03055 ( 2) SS BOND : angle 2.19978 ( 4) covalent geometry : bond 0.00253 (13676) covalent geometry : angle 0.46732 (18911) *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 170 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 170 time to evaluate : 1.805 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 408 PHE cc_start: 0.8139 (m-80) cc_final: 0.7730 (m-80) REVERT: D 782 ASP cc_start: 0.7192 (t0) cc_final: 0.6972 (t0) REVERT: C 767 ASP cc_start: 0.8710 (t70) cc_final: 0.8503 (t0) REVERT: C 774 ASP cc_start: 0.9141 (m-30) cc_final: 0.8935 (m-30) outliers start: 0 outliers final: 0 residues processed: 170 average time/residue: 0.3534 time to fit residues: 97.2393 Evaluate side-chains 151 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 151 time to evaluate : 1.981 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 89 optimal weight: 4.9990 chunk 91 optimal weight: 3.9990 chunk 132 optimal weight: 10.0000 chunk 29 optimal weight: 0.0670 chunk 51 optimal weight: 10.0000 chunk 117 optimal weight: 9.9990 chunk 5 optimal weight: 9.9990 chunk 142 optimal weight: 10.0000 chunk 46 optimal weight: 8.9990 chunk 204 optimal weight: 6.9990 chunk 26 optimal weight: 8.9990 overall best weight: 5.0126 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3625 r_free = 0.3625 target = 0.078427 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 52)----------------| | r_work = 0.3359 r_free = 0.3359 target = 0.067000 restraints weight = 217569.404| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 43)----------------| | r_work = 0.3391 r_free = 0.3391 target = 0.068440 restraints weight = 146311.866| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 47)----------------| | r_work = 0.3414 r_free = 0.3414 target = 0.069448 restraints weight = 109212.737| |-----------------------------------------------------------------------------| r_work (final): 0.3388 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7928 moved from start: 0.3848 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.050 13684 Z= 0.264 Angle : 0.554 5.471 18915 Z= 0.357 Chirality : 0.036 0.139 2505 Planarity : 0.004 0.047 2653 Dihedral : 4.756 34.816 2467 Min Nonbonded Distance : 2.203 Molprobity Statistics. All-atom Clashscore : 7.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.89 % Favored : 93.11 % Rotamer: Outliers : 0.00 % Allowed : 1.78 % Favored : 98.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.95 (0.17), residues: 2423 helix: 1.35 (0.12), residues: 1849 sheet: -4.86 (0.91), residues: 10 loop : -1.65 (0.26), residues: 564 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.001 TRP C 698 HIS 0.009 0.002 HIS D 418 PHE 0.022 0.002 PHE A 251 TYR 0.015 0.001 TYR A 397 ARG 0.005 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.04510 ( 1378) hydrogen bonds : angle 5.27671 ( 4122) metal coordination : bond 0.00870 ( 6) SS BOND : bond 0.01803 ( 2) SS BOND : angle 1.37796 ( 4) covalent geometry : bond 0.00428 (13676) covalent geometry : angle 0.55320 (18911) *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 158 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 158 time to evaluate : 2.123 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 206 GLU cc_start: 0.8899 (mt-10) cc_final: 0.8492 (mt-10) REVERT: D 330 CYS cc_start: 0.6582 (m) cc_final: 0.6237 (m) REVERT: D 408 PHE cc_start: 0.8179 (m-80) cc_final: 0.7801 (m-80) REVERT: D 782 ASP cc_start: 0.7266 (t0) cc_final: 0.7041 (t0) REVERT: C 774 ASP cc_start: 0.9161 (m-30) cc_final: 0.8955 (m-30) outliers start: 0 outliers final: 0 residues processed: 158 average time/residue: 0.3148 time to fit residues: 81.5602 Evaluate side-chains 143 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 143 time to evaluate : 1.770 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 147 optimal weight: 8.9990 chunk 146 optimal weight: 10.0000 chunk 23 optimal weight: 1.9990 chunk 55 optimal weight: 10.0000 chunk 104 optimal weight: 0.7980 chunk 237 optimal weight: 5.9990 chunk 169 optimal weight: 0.9990 chunk 77 optimal weight: 9.9990 chunk 119 optimal weight: 6.9990 chunk 120 optimal weight: 3.9990 chunk 178 optimal weight: 8.9990 overall best weight: 2.7588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 279 HIS Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3656 r_free = 0.3656 target = 0.079811 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 57)----------------| | r_work = 0.3392 r_free = 0.3392 target = 0.068330 restraints weight = 214832.323| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 47)----------------| | r_work = 0.3426 r_free = 0.3426 target = 0.069835 restraints weight = 143010.208| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 40)----------------| | r_work = 0.3449 r_free = 0.3449 target = 0.070865 restraints weight = 105693.368| |-----------------------------------------------------------------------------| r_work (final): 0.3420 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7869 moved from start: 0.3961 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.028 13684 Z= 0.163 Angle : 0.479 6.154 18915 Z= 0.295 Chirality : 0.036 0.137 2505 Planarity : 0.003 0.049 2653 Dihedral : 4.454 34.356 2467 Min Nonbonded Distance : 2.233 Molprobity Statistics. All-atom Clashscore : 5.45 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.41 % Favored : 94.59 % Rotamer: Outliers : 0.00 % Allowed : 0.45 % Favored : 99.55 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.74 (0.18), residues: 2423 helix: 1.94 (0.12), residues: 1848 sheet: None (None), residues: 0 loop : -1.53 (0.26), residues: 575 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP C 698 HIS 0.004 0.001 HIS D 331 PHE 0.021 0.001 PHE C 426 TYR 0.015 0.001 TYR A 397 ARG 0.005 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.03935 ( 1378) hydrogen bonds : angle 4.69753 ( 4122) metal coordination : bond 0.00440 ( 6) SS BOND : bond 0.01463 ( 2) SS BOND : angle 1.89966 ( 4) covalent geometry : bond 0.00266 (13676) covalent geometry : angle 0.47798 (18911) *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 165 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 165 time to evaluate : 1.814 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 195 GLN cc_start: 0.8559 (mm-40) cc_final: 0.8261 (tp40) REVERT: D 330 CYS cc_start: 0.6486 (m) cc_final: 0.6184 (m) REVERT: D 408 PHE cc_start: 0.8133 (m-80) cc_final: 0.7658 (m-80) REVERT: D 654 GLN cc_start: 0.8589 (tm-30) cc_final: 0.8307 (tm-30) REVERT: D 782 ASP cc_start: 0.7257 (t0) cc_final: 0.7050 (t0) REVERT: C 767 ASP cc_start: 0.8795 (t70) cc_final: 0.8545 (t0) REVERT: C 774 ASP cc_start: 0.9114 (m-30) cc_final: 0.8909 (m-30) outliers start: 0 outliers final: 0 residues processed: 165 average time/residue: 0.3120 time to fit residues: 83.8340 Evaluate side-chains 151 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 151 time to evaluate : 1.794 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 16 optimal weight: 5.9990 chunk 193 optimal weight: 0.0050 chunk 71 optimal weight: 8.9990 chunk 62 optimal weight: 9.9990 chunk 244 optimal weight: 0.4980 chunk 219 optimal weight: 10.0000 chunk 171 optimal weight: 6.9990 chunk 192 optimal weight: 0.9990 chunk 242 optimal weight: 0.8980 chunk 40 optimal weight: 0.0370 chunk 22 optimal weight: 5.9990 overall best weight: 0.4874 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 712 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3694 r_free = 0.3694 target = 0.081587 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 50)----------------| | r_work = 0.3432 r_free = 0.3432 target = 0.069984 restraints weight = 212977.882| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 36)----------------| | r_work = 0.3466 r_free = 0.3466 target = 0.071504 restraints weight = 141391.737| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 42)----------------| | r_work = 0.3490 r_free = 0.3490 target = 0.072592 restraints weight = 104431.304| |-----------------------------------------------------------------------------| r_work (final): 0.3459 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7810 moved from start: 0.4116 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.044 13684 Z= 0.102 Angle : 0.439 5.291 18915 Z= 0.258 Chirality : 0.035 0.136 2505 Planarity : 0.003 0.052 2653 Dihedral : 4.062 31.780 2467 Min Nonbonded Distance : 2.315 Molprobity Statistics. All-atom Clashscore : 4.29 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.45 % Favored : 94.55 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.65 (0.18), residues: 2423 helix: 2.64 (0.12), residues: 1843 sheet: None (None), residues: 0 loop : -1.34 (0.27), residues: 580 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP C 698 HIS 0.010 0.001 HIS A 279 PHE 0.018 0.001 PHE A 256 TYR 0.012 0.001 TYR A 397 ARG 0.004 0.001 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.03427 ( 1378) hydrogen bonds : angle 4.12423 ( 4122) metal coordination : bond 0.00161 ( 6) SS BOND : bond 0.01293 ( 2) SS BOND : angle 1.09498 ( 4) covalent geometry : bond 0.00180 (13676) covalent geometry : angle 0.43863 (18911) ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4846 Ramachandran restraints generated. 2423 Oldfield, 0 Emsley, 2423 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 8 is missing expected H atoms. Skipping. Residue ALA 9 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue VAL 51 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue VAL 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue SER 191 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue ALA 494 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue LYS 918 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue VAL 920 is missing expected H atoms. Skipping. Residue LYS 921 is missing expected H atoms. Skipping. Residue LEU 922 is missing expected H atoms. Skipping. Residue SER 924 is missing expected H atoms. Skipping. Residue SER 927 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 10 is missing expected H atoms. Skipping. Residue MET 11 is missing expected H atoms. Skipping. Residue ILE 12 is missing expected H atoms. Skipping. Residue ALA 14 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 18 is missing expected H atoms. Skipping. Residue SER 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue THR 22 is missing expected H atoms. Skipping. Residue TYR 26 is missing expected H atoms. Skipping. Residue THR 28 is missing expected H atoms. Skipping. Residue VAL 29 is missing expected H atoms. Skipping. Residue VAL 30 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue ILE 36 is missing expected H atoms. Skipping. Residue LEU 37 is missing expected H atoms. Skipping. Residue ILE 41 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue THR 46 is missing expected H atoms. Skipping. Residue VAL 48 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 64 is missing expected H atoms. Skipping. Residue SER 65 is missing expected H atoms. Skipping. Residue VAL 66 is missing expected H atoms. Skipping. Residue MET 67 is missing expected H atoms. Skipping. Residue LEU 68 is missing expected H atoms. Skipping. Residue LEU 69 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue ILE 75 is missing expected H atoms. Skipping. Residue MET 76 is missing expected H atoms. Skipping. Residue LYS 77 is missing expected H atoms. Skipping. Residue SER 78 is missing expected H atoms. Skipping. Residue SER 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue MET 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue VAL 86 is missing expected H atoms. Skipping. Residue SER 87 is missing expected H atoms. Skipping. Residue SER 89 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue LYS 93 is missing expected H atoms. Skipping. Residue SER 95 is missing expected H atoms. Skipping. Residue ILE 97 is missing expected H atoms. Skipping. Residue SER 100 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue LEU 107 is missing expected H atoms. Skipping. Residue LEU 108 is missing expected H atoms. Skipping. Residue ILE 110 is missing expected H atoms. Skipping. Residue ALA 111 is missing expected H atoms. Skipping. Residue ALA 112 is missing expected H atoms. Skipping. Residue THR 113 is missing expected H atoms. Skipping. Residue SER 115 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue LEU 119 is missing expected H atoms. Skipping. Residue LYS 121 is missing expected H atoms. Skipping. Residue LYS 122 is missing expected H atoms. Skipping. Residue ILE 123 is missing expected H atoms. Skipping. Residue VAL 126 is missing expected H atoms. Skipping. Residue ILE 127 is missing expected H atoms. Skipping. Residue SER 129 is missing expected H atoms. Skipping. Residue LEU 130 is missing expected H atoms. Skipping. Residue LEU 131 is missing expected H atoms. Skipping. Residue LEU 133 is missing expected H atoms. Skipping. Residue LYS 135 is missing expected H atoms. Skipping. Residue SER 136 is missing expected H atoms. Skipping. Residue LYS 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue ALA 140 is missing expected H atoms. Skipping. Residue ILE 141 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue LEU 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LYS 147 is missing expected H atoms. Skipping. Residue LEU 149 is missing expected H atoms. Skipping. Residue LEU 150 is missing expected H atoms. Skipping. Residue LEU 152 is missing expected H atoms. Skipping. Residue LEU 156 is missing expected H atoms. Skipping. Residue VAL 157 is missing expected H atoms. Skipping. Residue TYR 158 is missing expected H atoms. Skipping. Residue LEU 159 is missing expected H atoms. Skipping. Residue VAL 164 is missing expected H atoms. Skipping. Residue MET 165 is missing expected H atoms. Skipping. Residue ALA 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue VAL 174 is missing expected H atoms. Skipping. Residue MET 175 is missing expected H atoms. Skipping. Residue SER 176 is missing expected H atoms. Skipping. Residue LEU 179 is missing expected H atoms. Skipping. Residue SER 180 is missing expected H atoms. Skipping. Residue LEU 182 is missing expected H atoms. Skipping. Residue ALA 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue MET 197 is missing expected H atoms. Skipping. Residue SER 198 is missing expected H atoms. Skipping. Residue MET 199 is missing expected H atoms. Skipping. Residue LEU 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue MET 211 is missing expected H atoms. Skipping. Residue VAL 212 is missing expected H atoms. Skipping. Residue LEU 213 is missing expected H atoms. Skipping. Residue THR 214 is missing expected H atoms. Skipping. Residue ILE 216 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 218 is missing expected H atoms. Skipping. Residue ILE 219 is missing expected H atoms. Skipping. Residue VAL 220 is missing expected H atoms. Skipping. Residue LEU 227 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue VAL 235 is missing expected H atoms. Skipping. Residue LEU 236 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue TYR 239 is missing expected H atoms. Skipping. Residue SER 241 is missing expected H atoms. Skipping. Residue LYS 243 is missing expected H atoms. Skipping. Residue ILE 244 is missing expected H atoms. Skipping. Residue LYS 245 is missing expected H atoms. Skipping. Residue SER 246 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue ALA 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue SER 250 is missing expected H atoms. Skipping. Residue LEU 252 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue LEU 255 is missing expected H atoms. Skipping. Residue LEU 258 is missing expected H atoms. Skipping. Residue LEU 261 is missing expected H atoms. Skipping. Residue ALA 263 is missing expected H atoms. Skipping. Residue ALA 266 is missing expected H atoms. Skipping. Residue SER 267 is missing expected H atoms. Skipping. Residue THR 268 is missing expected H atoms. Skipping. Residue SER 271 is missing expected H atoms. Skipping. Residue SER 272 is missing expected H atoms. Skipping. Residue LEU 274 is missing expected H atoms. Skipping. Residue LEU 276 is missing expected H atoms. Skipping. Residue LEU 277 is missing expected H atoms. Skipping. Residue LYS 278 is missing expected H atoms. Skipping. Residue LEU 280 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue LEU 288 is missing expected H atoms. Skipping. Residue LYS 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue TYR 291 is missing expected H atoms. Skipping. Residue LEU 295 is missing expected H atoms. Skipping. Residue SER 296 is missing expected H atoms. Skipping. Residue LYS 297 is missing expected H atoms. Skipping. Residue LEU 298 is missing expected H atoms. Skipping. Residue ILE 299 is missing expected H atoms. Skipping. Residue LYS 300 is missing expected H atoms. Skipping. Residue THR 301 is missing expected H atoms. Skipping. Residue LEU 302 is missing expected H atoms. Skipping. Residue ALA 307 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue TYR 310 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue VAL 316 is missing expected H atoms. Skipping. Residue TYR 317 is missing expected H atoms. Skipping. Residue LEU 318 is missing expected H atoms. Skipping. Residue MET 320 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue LEU 325 is missing expected H atoms. Skipping. Residue VAL 327 is missing expected H atoms. Skipping. Residue MET 328 is missing expected H atoms. Skipping. Residue VAL 333 is missing expected H atoms. Skipping. Residue LEU 334 is missing expected H atoms. Skipping. Residue MET 335 is missing expected H atoms. Skipping. Residue LEU 337 is missing expected H atoms. Skipping. Residue LYS 338 is missing expected H atoms. Skipping. Residue SER 339 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue LYS 343 is missing expected H atoms. Skipping. Residue ALA 344 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue LEU 346 is missing expected H atoms. Skipping. Residue LEU 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue TYR 352 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 355 is missing expected H atoms. Skipping. Residue VAL 357 is missing expected H atoms. Skipping. Residue ALA 359 is missing expected H atoms. Skipping. Residue TYR 361 is missing expected H atoms. Skipping. Residue SER 363 is missing expected H atoms. Skipping. Residue ALA 364 is missing expected H atoms. Skipping. Residue LEU 365 is missing expected H atoms. Skipping. Residue VAL 367 is missing expected H atoms. Skipping. Residue LYS 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue TYR 371 is missing expected H atoms. Skipping. Residue VAL 372 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue LYS 377 is missing expected H atoms. Skipping. Residue ALA 378 is missing expected H atoms. Skipping. Residue LEU 379 is missing expected H atoms. Skipping. Residue LEU 380 is missing expected H atoms. Skipping. Residue VAL 382 is missing expected H atoms. Skipping. Residue LEU 383 is missing expected H atoms. Skipping. Residue ILE 385 is missing expected H atoms. Skipping. Residue VAL 387 is missing expected H atoms. Skipping. Residue ALA 389 is missing expected H atoms. Skipping. Residue TYR 391 is missing expected H atoms. Skipping. Residue LEU 392 is missing expected H atoms. Skipping. Residue LEU 393 is missing expected H atoms. Skipping. Residue LEU 396 is missing expected H atoms. Skipping. Residue TYR 397 is missing expected H atoms. Skipping. Residue ALA 398 is missing expected H atoms. Skipping. Residue ALA 399 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue MET 402 is missing expected H atoms. Skipping. Residue SER 404 is missing expected H atoms. Skipping. Residue MET 405 is missing expected H atoms. Skipping. Residue ILE 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue ILE 411 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue VAL 454 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue LYS 459 is missing expected H atoms. Skipping. Residue SER 460 is missing expected H atoms. Skipping. Residue ILE 461 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue SER 464 is missing expected H atoms. Skipping. Residue LEU 466 is missing expected H atoms. Skipping. Residue LYS 467 is missing expected H atoms. Skipping. Residue LYS 469 is missing expected H atoms. Skipping. Residue SER 472 is missing expected H atoms. Skipping. Residue LEU 473 is missing expected H atoms. Skipping. Residue ILE 475 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue LEU 477 is missing expected H atoms. Skipping. Residue TYR 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LYS 483 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue ILE 487 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ILE 493 is missing expected H atoms. Skipping. Residue VAL 495 is missing expected H atoms. Skipping. Residue VAL 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 499 is missing expected H atoms. Skipping. Residue THR 500 is missing expected H atoms. Skipping. Residue LEU 502 is missing expected H atoms. Skipping. Residue THR 504 is missing expected H atoms. Skipping. Residue VAL 505 is missing expected H atoms. Skipping. Residue SER 508 is missing expected H atoms. Skipping. Residue MET 512 is missing expected H atoms. Skipping. Residue SER 529 is missing expected H atoms. Skipping. Residue VAL 530 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue ILE 532 is missing expected H atoms. Skipping. Residue THR 533 is missing expected H atoms. Skipping. Residue MET 535 is missing expected H atoms. Skipping. Residue SER 536 is missing expected H atoms. Skipping. Residue LEU 537 is missing expected H atoms. Skipping. Residue TYR 540 is missing expected H atoms. Skipping. Residue THR 541 is missing expected H atoms. Skipping. Residue LYS 542 is missing expected H atoms. Skipping. Residue VAL 543 is missing expected H atoms. Skipping. Residue LEU 544 is missing expected H atoms. Skipping. Residue LYS 545 is missing expected H atoms. Skipping. Residue SER 546 is missing expected H atoms. Skipping. Residue SER 549 is missing expected H atoms. Skipping. Residue LEU 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue SER 553 is missing expected H atoms. Skipping. Residue VAL 554 is missing expected H atoms. Skipping. Residue LYS 556 is missing expected H atoms. Skipping. Residue LEU 557 is missing expected H atoms. Skipping. Residue LEU 559 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue ILE 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue VAL 566 is missing expected H atoms. Skipping. Residue VAL 567 is missing expected H atoms. Skipping. Residue LYS 568 is missing expected H atoms. Skipping. Residue ILE 569 is missing expected H atoms. Skipping. Residue TYR 570 is missing expected H atoms. Skipping. Residue LEU 573 is missing expected H atoms. Skipping. Residue ILE 574 is missing expected H atoms. Skipping. Residue TYR 575 is missing expected H atoms. Skipping. Residue MET 576 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 580 is missing expected H atoms. Skipping. Residue SER 581 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue LEU 587 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue MET 593 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 596 is missing expected H atoms. Skipping. Residue ILE 599 is missing expected H atoms. Skipping. Residue TYR 600 is missing expected H atoms. Skipping. Residue SER 601 is missing expected H atoms. Skipping. Residue SER 603 is missing expected H atoms. Skipping. Residue LEU 608 is missing expected H atoms. Skipping. Residue LYS 609 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue THR 611 is missing expected H atoms. Skipping. Residue THR 612 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue LEU 618 is missing expected H atoms. Skipping. Residue THR 619 is missing expected H atoms. Skipping. Residue LEU 620 is missing expected H atoms. Skipping. Residue SER 621 is missing expected H atoms. Skipping. Residue ILE 624 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue TYR 628 is missing expected H atoms. Skipping. Residue SER 629 is missing expected H atoms. Skipping. Residue SER 634 is missing expected H atoms. Skipping. Residue VAL 637 is missing expected H atoms. Skipping. Residue LEU 639 is missing expected H atoms. Skipping. Residue LEU 640 is missing expected H atoms. Skipping. Residue THR 641 is missing expected H atoms. Skipping. Residue LEU 642 is missing expected H atoms. Skipping. Residue ILE 647 is missing expected H atoms. Skipping. Residue LEU 649 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue VAL 655 is missing expected H atoms. Skipping. Residue TYR 656 is missing expected H atoms. Skipping. Residue LEU 660 is missing expected H atoms. Skipping. Residue SER 662 is missing expected H atoms. Skipping. Residue SER 663 is missing expected H atoms. Skipping. Residue VAL 666 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 672 is missing expected H atoms. Skipping. Residue SER 673 is missing expected H atoms. Skipping. Residue ILE 677 is missing expected H atoms. Skipping. Residue LEU 678 is missing expected H atoms. Skipping. Residue LEU 679 is missing expected H atoms. Skipping. Residue SER 684 is missing expected H atoms. Skipping. Residue VAL 688 is missing expected H atoms. Skipping. Residue LYS 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LYS 695 is missing expected H atoms. Skipping. Residue VAL 696 is missing expected H atoms. Skipping. Residue LYS 697 is missing expected H atoms. Skipping. Residue SER 700 is missing expected H atoms. Skipping. Residue ILE 702 is missing expected H atoms. Skipping. Residue VAL 703 is missing expected H atoms. Skipping. Residue LYS 704 is missing expected H atoms. Skipping. Residue LYS 705 is missing expected H atoms. Skipping. Residue SER 709 is missing expected H atoms. Skipping. Residue ILE 710 is missing expected H atoms. Skipping. Residue LEU 711 is missing expected H atoms. Skipping. Residue LEU 714 is missing expected H atoms. Skipping. Residue VAL 715 is missing expected H atoms. Skipping. Residue THR 717 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue MET 721 is missing expected H atoms. Skipping. Residue TYR 723 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue THR 725 is missing expected H atoms. Skipping. Residue SER 726 is missing expected H atoms. Skipping. Residue SER 727 is missing expected H atoms. Skipping. Residue LEU 728 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue SER 733 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue LEU 740 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue LYS 746 is missing expected H atoms. Skipping. Residue THR 748 is missing expected H atoms. Skipping. Residue SER 749 is missing expected H atoms. Skipping. Residue SER 754 is missing expected H atoms. Skipping. Residue SER 755 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue LYS 759 is missing expected H atoms. Skipping. Residue SER 761 is missing expected H atoms. Skipping. Residue VAL 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue LEU 767 is missing expected H atoms. Skipping. Residue LEU 769 is missing expected H atoms. Skipping. Residue LEU 770 is missing expected H atoms. Skipping. Residue LYS 771 is missing expected H atoms. Skipping. Residue LYS 772 is missing expected H atoms. Skipping. Residue LYS 773 is missing expected H atoms. Skipping. Residue ILE 774 is missing expected H atoms. Skipping. Residue SER 776 is missing expected H atoms. Skipping. Residue VAL 778 is missing expected H atoms. Skipping. Residue LYS 779 is missing expected H atoms. Skipping. Residue LEU 780 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue LEU 789 is missing expected H atoms. Skipping. Residue LYS 791 is missing expected H atoms. Skipping. Residue LEU 793 is missing expected H atoms. Skipping. Residue THR 800 is missing expected H atoms. Skipping. Residue VAL 802 is missing expected H atoms. Skipping. Residue LYS 803 is missing expected H atoms. Skipping. Residue VAL 805 is missing expected H atoms. Skipping. Residue LEU 806 is missing expected H atoms. Skipping. Residue THR 808 is missing expected H atoms. Skipping. Residue LEU 809 is missing expected H atoms. Skipping. Residue LEU 810 is missing expected H atoms. Skipping. Residue LEU 812 is missing expected H atoms. Skipping. Residue MET 813 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 820 is missing expected H atoms. Skipping. Residue VAL 822 is missing expected H atoms. Skipping. Residue SER 825 is missing expected H atoms. Skipping. Residue ILE 828 is missing expected H atoms. Skipping. Residue LYS 829 is missing expected H atoms. Skipping. Residue ILE 831 is missing expected H atoms. Skipping. Residue LEU 832 is missing expected H atoms. Skipping. Residue SER 834 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue SER 837 is missing expected H atoms. Skipping. Residue ILE 842 is missing expected H atoms. Skipping. Residue LYS 843 is missing expected H atoms. Skipping. Residue LEU 845 is missing expected H atoms. Skipping. Residue VAL 847 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue MET 850 is missing expected H atoms. Skipping. Residue LYS 851 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue THR 855 is missing expected H atoms. Skipping. Residue ILE 859 is missing expected H atoms. Skipping. Residue SER 860 is missing expected H atoms. Skipping. Residue LEU 865 is missing expected H atoms. Skipping. Residue LYS 866 is missing expected H atoms. Skipping. Residue THR 868 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue ILE 870 is missing expected H atoms. Skipping. Residue LEU 871 is missing expected H atoms. Skipping. Residue THR 872 is missing expected H atoms. Skipping. Residue THR 873 is missing expected H atoms. Skipping. Residue ILE 876 is missing expected H atoms. Skipping. Residue LYS 881 is missing expected H atoms. Skipping. Residue LEU 884 is missing expected H atoms. Skipping. Residue VAL 885 is missing expected H atoms. Skipping. Residue LEU 889 is missing expected H atoms. Skipping. Residue LEU 890 is missing expected H atoms. Skipping. Residue LEU 892 is missing expected H atoms. Skipping. Residue LEU 893 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue LEU 897 is missing expected H atoms. Skipping. Residue SER 898 is missing expected H atoms. Skipping. Residue LYS 899 is missing expected H atoms. Skipping. Residue SER 900 is missing expected H atoms. Skipping. Residue SER 902 is missing expected H atoms. Skipping. Residue VAL 903 is missing expected H atoms. Skipping. Residue SER 904 is missing expected H atoms. Skipping. Residue TYR 908 is missing expected H atoms. Skipping. Residue THR 909 is missing expected H atoms. Skipping. Residue ILE 911 is missing expected H atoms. Skipping. Residue LEU 914 is missing expected H atoms. Skipping. Residue VAL 915 is missing expected H atoms. Skipping. Residue TYR 929 is missing expected H atoms. Skipping. Residue LYS 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue LEU 937 is missing expected H atoms. Skipping. Residue VAL 938 is missing expected H atoms. Skipping. Residue SER 940 is missing expected H atoms. Skipping. Residue LEU 941 is missing expected H atoms. Skipping. Residue SER 943 is missing expected H atoms. Skipping. Residue SER 944 is missing expected H atoms. Skipping. Residue MET 946 is missing expected H atoms. Skipping. Residue THR 947 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue THR 307 is missing expected H atoms. Skipping. Residue ILE 311 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 315 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue LEU 333 is missing expected H atoms. Skipping. Residue LEU 372 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 388 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue VAL 423 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue THR 477 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue SER 480 is missing expected H atoms. Skipping. Residue ILE 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue ALA 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 496 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LEU 542 is missing expected H atoms. Skipping. Residue LEU 543 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue THR 553 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue LEU 568 is missing expected H atoms. Skipping. Residue LEU 571 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue THR 598 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue LEU 604 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue LEU 610 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue SER 625 is missing expected H atoms. Skipping. Residue SER 627 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue LEU 635 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LEU 655 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue LEU 663 is missing expected H atoms. Skipping. Residue LYS 665 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue MET 693 is missing expected H atoms. Skipping. Residue LEU 694 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 701 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue LEU 720 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue VAL 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue MET 739 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue VAL 755 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue VAL 783 is missing expected H atoms. Skipping. Residue LEU 312 is missing expected H atoms. Skipping. Residue ILE 313 is missing expected H atoms. Skipping. Residue LEU 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue LEU 321 is missing expected H atoms. Skipping. Residue ILE 322 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue SER 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue TYR 366 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue LEU 381 is missing expected H atoms. Skipping. Residue THR 384 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue VAL 389 is missing expected H atoms. Skipping. Residue SER 395 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue LEU 413 is missing expected H atoms. Skipping. Residue LEU 420 is missing expected H atoms. Skipping. Residue ILE 427 is missing expected H atoms. Skipping. Residue LEU 429 is missing expected H atoms. Skipping. Residue LEU 434 is missing expected H atoms. Skipping. Residue LEU 437 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue LEU 471 is missing expected H atoms. Skipping. Residue VAL 476 is missing expected H atoms. Skipping. Residue LEU 479 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue LEU 485 is missing expected H atoms. Skipping. Residue VAL 486 is missing expected H atoms. Skipping. Residue SER 489 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 493 is missing expected H atoms. Skipping. Residue LEU 497 is missing expected H atoms. Skipping. Residue LEU 538 is missing expected H atoms. Skipping. Residue LEU 539 is missing expected H atoms. Skipping. Residue LYS 540 is missing expected H atoms. Skipping. Residue MET 541 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue LEU 546 is missing expected H atoms. Skipping. Residue SER 550 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 562 is missing expected H atoms. Skipping. Residue LEU 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue LYS 570 is missing expected H atoms. Skipping. Residue THR 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue LEU 580 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue VAL 589 is missing expected H atoms. Skipping. Residue LEU 590 is missing expected H atoms. Skipping. Residue LYS 592 is missing expected H atoms. Skipping. Residue SER 595 is missing expected H atoms. Skipping. Residue LEU 600 is missing expected H atoms. Skipping. Residue SER 602 is missing expected H atoms. Skipping. Residue VAL 603 is missing expected H atoms. Skipping. Residue LEU 605 is missing expected H atoms. Skipping. Residue SER 611 is missing expected H atoms. Skipping. Residue LEU 613 is missing expected H atoms. Skipping. Residue LEU 619 is missing expected H atoms. Skipping. Residue LEU 623 is missing expected H atoms. Skipping. Residue LEU 631 is missing expected H atoms. Skipping. Residue LEU 632 is missing expected H atoms. Skipping. Residue LEU 633 is missing expected H atoms. Skipping. Residue TYR 636 is missing expected H atoms. Skipping. Residue MET 637 is missing expected H atoms. Skipping. Residue TYR 638 is missing expected H atoms. Skipping. Residue THR 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue VAL 646 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue VAL 660 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue VAL 675 is missing expected H atoms. Skipping. Residue THR 676 is missing expected H atoms. Skipping. Residue SER 678 is missing expected H atoms. Skipping. Residue VAL 684 is missing expected H atoms. Skipping. Residue VAL 686 is missing expected H atoms. Skipping. Residue LEU 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue VAL 717 is missing expected H atoms. Skipping. Residue THR 723 is missing expected H atoms. Skipping. Residue LEU 725 is missing expected H atoms. Skipping. Residue LEU 727 is missing expected H atoms. Skipping. Residue LEU 730 is missing expected H atoms. Skipping. Residue LYS 733 is missing expected H atoms. Skipping. Residue LYS 735 is missing expected H atoms. Skipping. Residue LEU 736 is missing expected H atoms. Skipping. Residue MET 738 is missing expected H atoms. Skipping. Residue VAL 742 is missing expected H atoms. Skipping. Residue LEU 745 is missing expected H atoms. Skipping. Residue SER 756 is missing expected H atoms. Skipping. Residue LEU 758 is missing expected H atoms. Skipping. Residue ILE 759 is missing expected H atoms. Skipping. Residue VAL 765 is missing expected H atoms. Skipping. Residue LEU 776 is missing expected H atoms. Skipping. Evaluate side-chains 166 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 166 time to evaluate : 1.828 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 195 GLN cc_start: 0.8571 (mm-40) cc_final: 0.8226 (tp40) REVERT: A 206 GLU cc_start: 0.8887 (mt-10) cc_final: 0.8597 (mt-10) REVERT: D 330 CYS cc_start: 0.6268 (m) cc_final: 0.5942 (m) REVERT: D 408 PHE cc_start: 0.8132 (m-80) cc_final: 0.7682 (m-80) REVERT: D 782 ASP cc_start: 0.7183 (t0) cc_final: 0.6963 (t0) REVERT: C 767 ASP cc_start: 0.8681 (t70) cc_final: 0.8415 (t0) REVERT: C 774 ASP cc_start: 0.9047 (m-30) cc_final: 0.8784 (m-30) outliers start: 0 outliers final: 0 residues processed: 166 average time/residue: 0.3248 time to fit residues: 87.3721 Evaluate side-chains 152 residues out of total 2215 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 152 time to evaluate : 1.766 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 245 random chunks: chunk 236 optimal weight: 4.9990 chunk 234 optimal weight: 0.0570 chunk 116 optimal weight: 7.9990 chunk 150 optimal weight: 10.0000 chunk 3 optimal weight: 8.9990 chunk 189 optimal weight: 2.9990 chunk 179 optimal weight: 0.6980 chunk 88 optimal weight: 10.0000 chunk 232 optimal weight: 0.7980 chunk 193 optimal weight: 7.9990 chunk 82 optimal weight: 6.9990 overall best weight: 1.9102 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 279 HIS Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3678 r_free = 0.3678 target = 0.080855 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3415 r_free = 0.3415 target = 0.069297 restraints weight = 213916.108| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 42)----------------| | r_work = 0.3449 r_free = 0.3449 target = 0.070833 restraints weight = 142465.108| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 39)----------------| | r_work = 0.3473 r_free = 0.3473 target = 0.071883 restraints weight = 105152.481| |-----------------------------------------------------------------------------| r_work (final): 0.3443 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7835 moved from start: 0.4163 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.042 13684 Z= 0.132 Angle : 0.440 5.362 18915 Z= 0.267 Chirality : 0.035 0.135 2505 Planarity : 0.003 0.051 2653 Dihedral : 3.986 30.660 2467 Min Nonbonded Distance : 2.298 Molprobity Statistics. All-atom Clashscore : 3.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.28 % Favored : 94.72 % Rotamer: Outliers : 0.00 % Allowed : 0.22 % Favored : 99.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.08 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.68 (0.18), residues: 2423 helix: 2.66 (0.12), residues: 1840 sheet: None (None), residues: 0 loop : -1.29 (0.27), residues: 583 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.001 TRP C 698 HIS 0.010 0.001 HIS A 279 PHE 0.015 0.001 PHE A 256 TYR 0.010 0.001 TYR A 397 ARG 0.004 0.000 ARG D 582 Details of bonding type rmsd hydrogen bonds : bond 0.03438 ( 1378) hydrogen bonds : angle 4.21803 ( 4122) metal coordination : bond 0.00342 ( 6) SS BOND : bond 0.01005 ( 2) SS BOND : angle 1.46918 ( 4) covalent geometry : bond 0.00224 (13676) covalent geometry : angle 0.43962 (18911) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 6819.37 seconds wall clock time: 119 minutes 26.22 seconds (7166.22 seconds total)