Starting phenix.real_space_refine on Thu Jun 12 18:54:36 2025 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.cif Found real_map, /net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.61 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.map" default_real_map = "/net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.map" model { file = "/net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.cif" } default_model = "/net/cci-nas-00/data/ceres_data/9cm5_45739/06_2025/9cm5_45739.cif" } resolution = 4.61 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= 0.001 sd= 0.022 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians C 5779 2.51 5 N 1927 2.21 5 O 1927 1.98 5 H 4396 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5710/modules/chem_data/mon_lib" Total number of atoms: 14029 Number of models: 1 Model: "" Number of chains: 2 Chain: "B" Number of atoms: 415 Number of conformers: 1 Conformer: "" Number of residues, atoms: 57, 415 Classifications: {'peptide': 57} Link IDs: {'PTRANS': 1, 'TRANS': 55} Unresolved non-hydrogen bonds: 199 Unresolved non-hydrogen angles: 245 Unresolved non-hydrogen dihedrals: 168 Unresolved non-hydrogen chiralities: 14 Planarities with less than four sites: {'ASN:plan1': 4, 'TRP:plan': 1, 'ASP:plan': 3, 'PHE:plan': 4, 'GLU:plan': 10, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 104 Chain: "A" Number of atoms: 13614 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1870, 13614 Classifications: {'peptide': 1870} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 43, 'TRANS': 1822} Chain breaks: 6 Unresolved non-hydrogen bonds: 5847 Unresolved non-hydrogen angles: 7493 Unresolved non-hydrogen dihedrals: 4764 Unresolved non-hydrogen chiralities: 553 Planarities with less than four sites: {'GLN:plan1': 47, 'HIS:plan': 17, 'TYR:plan': 93, 'ASN:plan1': 160, 'TRP:plan': 8, 'ASP:plan': 130, 'PHE:plan': 97, 'GLU:plan': 170, 'ARG:plan': 39} Unresolved non-hydrogen planarities: 3323 Time building chain proxies: 9.48, per 1000 atoms: 0.68 Number of scatterers: 14029 At special positions: 0 Unit cell: (115.491, 114.648, 168.6, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) O 1927 8.00 N 1927 7.00 C 5779 6.00 H 4396 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.00 Amino acid : True - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 4.11 Conformation dependent library (CDL) restraints added in 2.0 seconds 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 3670 Finding SS restraints... Secondary structure from input PDB file: 77 helices and 17 sheets defined 30.0% alpha, 4.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 1.98 Creating SS restraints... Processing helix chain 'B' and resid 1 through 17 Processing helix chain 'B' and resid 22 through 38 Processing helix chain 'B' and resid 39 through 57 Processing helix chain 'A' and resid 4 through 11 removed outlier: 5.020A pdb=" N LEU A 9 " --> pdb=" O ARG A 6 " (cutoff:3.500A) Processing helix chain 'A' and resid 21 through 25 Processing helix chain 'A' and resid 26 through 37 removed outlier: 3.789A pdb=" N TYR A 34 " --> pdb=" O ALA A 30 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N HIS A 35 " --> pdb=" O LEU A 31 " (cutoff:3.500A) Processing helix chain 'A' and resid 46 through 49 Processing helix chain 'A' and resid 50 through 55 removed outlier: 3.727A pdb=" N LEU A 55 " --> pdb=" O ASP A 51 " (cutoff:3.500A) Processing helix chain 'A' and resid 57 through 62 removed outlier: 3.531A pdb=" N ASP A 61 " --> pdb=" O ILE A 58 " (cutoff:3.500A) Processing helix chain 'A' and resid 66 through 86 removed outlier: 4.346A pdb=" N LEU A 72 " --> pdb=" O ARG A 68 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N LYS A 73 " --> pdb=" O ASN A 69 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N LYS A 74 " --> pdb=" O LYS A 70 " (cutoff:3.500A) Processing helix chain 'A' and resid 137 through 147 removed outlier: 3.681A pdb=" N LYS A 142 " --> pdb=" O ILE A 138 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N GLU A 147 " --> pdb=" O LYS A 143 " (cutoff:3.500A) Processing helix chain 'A' and resid 147 through 152 Processing helix chain 'A' and resid 153 through 158 Processing helix chain 'A' and resid 159 through 161 No H-bonds generated for 'chain 'A' and resid 159 through 161' Processing helix chain 'A' and resid 175 through 177 No H-bonds generated for 'chain 'A' and resid 175 through 177' Processing helix chain 'A' and resid 178 through 187 removed outlier: 4.317A pdb=" N LYS A 182 " --> pdb=" O ILE A 178 " (cutoff:3.500A) removed outlier: 4.503A pdb=" N GLN A 183 " --> pdb=" O ILE A 179 " (cutoff:3.500A) Processing helix chain 'A' and resid 188 through 189 No H-bonds generated for 'chain 'A' and resid 188 through 189' Processing helix chain 'A' and resid 190 through 191 No H-bonds generated for 'chain 'A' and resid 190 through 191' Processing helix chain 'A' and resid 192 through 197 removed outlier: 3.525A pdb=" N GLU A 196 " --> pdb=" O ALA A 192 " (cutoff:3.500A) Processing helix chain 'A' and resid 201 through 215 Processing helix chain 'A' and resid 218 through 234 removed outlier: 3.944A pdb=" N TYR A 224 " --> pdb=" O GLU A 220 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N LEU A 229 " --> pdb=" O ILE A 225 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR A 233 " --> pdb=" O LEU A 229 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLN A 234 " --> pdb=" O ASN A 230 " (cutoff:3.500A) Processing helix chain 'A' and resid 249 through 257 removed outlier: 3.632A pdb=" N TYR A 255 " --> pdb=" O SER A 251 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N GLN A 257 " --> pdb=" O ASN A 253 " (cutoff:3.500A) Processing helix chain 'A' and resid 257 through 262 Processing helix chain 'A' and resid 266 through 275 removed outlier: 4.479A pdb=" N LEU A 272 " --> pdb=" O ALA A 268 " (cutoff:3.500A) Processing helix chain 'A' and resid 276 through 280 removed outlier: 4.218A pdb=" N GLU A 279 " --> pdb=" O ALA A 276 " (cutoff:3.500A) Processing helix chain 'A' and resid 308 through 313 removed outlier: 3.792A pdb=" N TRP A 312 " --> pdb=" O THR A 308 " (cutoff:3.500A) Processing helix chain 'A' and resid 314 through 319 Processing helix chain 'A' and resid 332 through 336 removed outlier: 3.563A pdb=" N PHE A 335 " --> pdb=" O SER A 332 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ASP A 336 " --> pdb=" O GLU A 333 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 332 through 336' Processing helix chain 'A' and resid 395 through 400 removed outlier: 3.727A pdb=" N VAL A 400 " --> pdb=" O SER A 396 " (cutoff:3.500A) Processing helix chain 'A' and resid 403 through 420 removed outlier: 3.568A pdb=" N ILE A 409 " --> pdb=" O ASN A 405 " (cutoff:3.500A) Proline residue: A 416 - end of helix removed outlier: 4.238A pdb=" N GLU A 420 " --> pdb=" O PRO A 416 " (cutoff:3.500A) Processing helix chain 'A' and resid 423 through 438 removed outlier: 4.193A pdb=" N THR A 427 " --> pdb=" O ASP A 423 " (cutoff:3.500A) Processing helix chain 'A' and resid 448 through 453 removed outlier: 3.772A pdb=" N GLY A 451 " --> pdb=" O MET A 448 " (cutoff:3.500A) Processing helix chain 'A' and resid 463 through 468 Processing helix chain 'A' and resid 470 through 477 removed outlier: 3.634A pdb=" N ALA A 475 " --> pdb=" O PRO A 471 " (cutoff:3.500A) Processing helix chain 'A' and resid 478 through 480 No H-bonds generated for 'chain 'A' and resid 478 through 480' Processing helix chain 'A' and resid 496 through 502 removed outlier: 3.959A pdb=" N PHE A 501 " --> pdb=" O LEU A 498 " (cutoff:3.500A) Processing helix chain 'A' and resid 504 through 506 No H-bonds generated for 'chain 'A' and resid 504 through 506' Processing helix chain 'A' and resid 515 through 519 Processing helix chain 'A' and resid 523 through 525 No H-bonds generated for 'chain 'A' and resid 523 through 525' Processing helix chain 'A' and resid 526 through 532 removed outlier: 3.904A pdb=" N GLN A 530 " --> pdb=" O ARG A 526 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 539 Processing helix chain 'A' and resid 560 through 564 removed outlier: 4.349A pdb=" N GLU A 564 " --> pdb=" O TYR A 561 " (cutoff:3.500A) Processing helix chain 'A' and resid 590 through 600 removed outlier: 4.606A pdb=" N PHE A 598 " --> pdb=" O ALA A 594 " (cutoff:3.500A) Processing helix chain 'A' and resid 668 through 673 removed outlier: 3.708A pdb=" N SER A 672 " --> pdb=" O VAL A 668 " (cutoff:3.500A) Processing helix chain 'A' and resid 674 through 680 removed outlier: 4.304A pdb=" N ALA A 677 " --> pdb=" O GLU A 674 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ALA A 678 " --> pdb=" O ILE A 675 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N ILE A 679 " --> pdb=" O GLU A 676 " (cutoff:3.500A) Processing helix chain 'A' and resid 681 through 685 Processing helix chain 'A' and resid 714 through 721 removed outlier: 4.708A pdb=" N VAL A 719 " --> pdb=" O LEU A 716 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N LYS A 720 " --> pdb=" O LEU A 717 " (cutoff:3.500A) Processing helix chain 'A' and resid 722 through 727 Processing helix chain 'A' and resid 728 through 734 removed outlier: 6.203A pdb=" N GLN A 732 " --> pdb=" O SER A 729 " (cutoff:3.500A) removed outlier: 6.200A pdb=" N ASP A 733 " --> pdb=" O ILE A 730 " (cutoff:3.500A) Processing helix chain 'A' and resid 764 through 772 Processing helix chain 'A' and resid 793 through 802 removed outlier: 4.445A pdb=" N LEU A 797 " --> pdb=" O ASN A 793 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU A 800 " --> pdb=" O GLU A 796 " (cutoff:3.500A) Processing helix chain 'A' and resid 803 through 809 Processing helix chain 'A' and resid 814 through 835 removed outlier: 3.874A pdb=" N CYS A 824 " --> pdb=" O MET A 820 " (cutoff:3.500A) Processing helix chain 'A' and resid 836 through 838 No H-bonds generated for 'chain 'A' and resid 836 through 838' Processing helix chain 'A' and resid 858 through 862 removed outlier: 4.247A pdb=" N LEU A 861 " --> pdb=" O GLU A 858 " (cutoff:3.500A) Processing helix chain 'A' and resid 863 through 869 removed outlier: 3.873A pdb=" N ASP A 867 " --> pdb=" O GLU A 863 " (cutoff:3.500A) Processing helix chain 'A' and resid 921 through 926 removed outlier: 3.777A pdb=" N ILE A 925 " --> pdb=" O TYR A 921 " (cutoff:3.500A) Processing helix chain 'A' and resid 927 through 931 Processing helix chain 'A' and resid 957 through 963 Processing helix chain 'A' and resid 963 through 970 Processing helix chain 'A' and resid 972 through 976 removed outlier: 3.974A pdb=" N GLU A 976 " --> pdb=" O SER A 973 " (cutoff:3.500A) Processing helix chain 'A' and resid 984 through 992 removed outlier: 4.902A pdb=" N VAL A 989 " --> pdb=" O LYS A 986 " (cutoff:3.500A) Processing helix chain 'A' and resid 997 through 1001 removed outlier: 3.742A pdb=" N ILE A1001 " --> pdb=" O LEU A 998 " (cutoff:3.500A) Processing helix chain 'A' and resid 1006 through 1010 Processing helix chain 'A' and resid 1011 through 1016 removed outlier: 3.985A pdb=" N LEU A1015 " --> pdb=" O VAL A1011 " (cutoff:3.500A) Processing helix chain 'A' and resid 1074 through 1079 Processing helix chain 'A' and resid 1128 through 1133 Processing helix chain 'A' and resid 1138 through 1142 Processing helix chain 'A' and resid 1199 through 1206 Processing helix chain 'A' and resid 1373 through 1377 removed outlier: 4.216A pdb=" N SER A1376 " --> pdb=" O SER A1373 " (cutoff:3.500A) Processing helix chain 'A' and resid 1383 through 1387 removed outlier: 4.248A pdb=" N HIS A1387 " --> pdb=" O LEU A1384 " (cutoff:3.500A) Processing helix chain 'A' and resid 1566 through 1570 removed outlier: 4.297A pdb=" N MET A1569 " --> pdb=" O LEU A1566 " (cutoff:3.500A) Processing helix chain 'A' and resid 1579 through 1584 removed outlier: 3.781A pdb=" N PHE A1584 " --> pdb=" O SER A1580 " (cutoff:3.500A) Processing helix chain 'A' and resid 1736 through 1740 removed outlier: 3.895A pdb=" N TYR A1740 " --> pdb=" O SER A1737 " (cutoff:3.500A) Processing helix chain 'A' and resid 1775 through 1779 Processing helix chain 'A' and resid 1867 through 1871 Processing helix chain 'A' and resid 1944 through 1948 removed outlier: 3.829A pdb=" N GLU A1947 " --> pdb=" O GLY A1944 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A' and resid 92 through 93 Processing sheet with id=AA2, first strand: chain 'A' and resid 98 through 100 removed outlier: 6.864A pdb=" N HIS A 99 " --> pdb=" O LEU A 285 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ILE A 383 " --> pdb=" O ALA A 376 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N ALA A 376 " --> pdb=" O ILE A 383 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 290 through 291 Processing sheet with id=AA4, first strand: chain 'A' and resid 645 through 646 Processing sheet with id=AA5, first strand: chain 'A' and resid 662 through 663 Processing sheet with id=AA6, first strand: chain 'A' and resid 736 through 737 removed outlier: 3.558A pdb=" N LYS A 786 " --> pdb=" O ASN A 781 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 890 through 891 removed outlier: 6.908A pdb=" N SER A 890 " --> pdb=" O VAL A 911 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA7 Processing sheet with id=AA8, first strand: chain 'A' and resid 1152 through 1156 removed outlier: 3.500A pdb=" N GLU A1154 " --> pdb=" O VAL A1163 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'A' and resid 1322 through 1323 removed outlier: 7.635A pdb=" N TYR A1323 " --> pdb=" O ASP A1347 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N ILE A1346 " --> pdb=" O THR A1405 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA9 Processing sheet with id=AB1, first strand: chain 'A' and resid 1482 through 1484 removed outlier: 6.126A pdb=" N VAL A1497 " --> pdb=" O LEU A1483 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'A' and resid 1717 through 1718 removed outlier: 7.170A pdb=" N VAL A1717 " --> pdb=" O ARG A1766 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N TRP A1742 " --> pdb=" O SER A1802 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'A' and resid 1732 through 1733 Processing sheet with id=AB4, first strand: chain 'A' and resid 1814 through 1815 Processing sheet with id=AB5, first strand: chain 'A' and resid 1844 through 1846 removed outlier: 4.034A pdb=" N TYR A1844 " --> pdb=" O ILE A1853 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ASN A1851 " --> pdb=" O LYS A1846 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'A' and resid 1877 through 1881 Processing sheet with id=AB7, first strand: chain 'A' and resid 1927 through 1931 removed outlier: 3.973A pdb=" N GLY A1927 " --> pdb=" O PHE A1938 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N PHE A1938 " --> pdb=" O GLY A1927 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'A' and resid 2008 through 2012 296 hydrogen bonds defined for protein. 699 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 6.03 Time building geometry restraints manager: 4.93 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.86 - 1.00: 130 1.00 - 1.14: 4266 1.14 - 1.28: 1927 1.28 - 1.42: 1919 1.42 - 1.56: 5824 Bond restraints: 14066 Sorted by residual: bond pdb=" N THR A 916 " pdb=" H THR A 916 " ideal model delta sigma weight residual 0.860 1.011 -0.151 2.00e-02 2.50e+03 5.67e+01 bond pdb=" N PHE A 136 " pdb=" H PHE A 136 " ideal model delta sigma weight residual 0.860 1.010 -0.150 2.00e-02 2.50e+03 5.65e+01 bond pdb=" N TYR A 209 " pdb=" H TYR A 209 " ideal model delta sigma weight residual 0.860 1.010 -0.150 2.00e-02 2.50e+03 5.65e+01 bond pdb=" N GLU A2021 " pdb=" H GLU A2021 " ideal model delta sigma weight residual 0.860 1.010 -0.150 2.00e-02 2.50e+03 5.65e+01 bond pdb=" N LEU A1213 " pdb=" H LEU A1213 " ideal model delta sigma weight residual 0.860 1.010 -0.150 2.00e-02 2.50e+03 5.65e+01 ... (remaining 14061 not shown) Histogram of bond angle deviations from ideal: 0.00 - 2.15: 15739 2.15 - 4.30: 6033 4.30 - 6.45: 1497 6.45 - 8.60: 1047 8.60 - 10.75: 36 Bond angle restraints: 24352 Sorted by residual: angle pdb=" N VAL A1691 " pdb=" CA VAL A1691 " pdb=" C VAL A1691 " ideal model delta sigma weight residual 112.83 120.98 -8.15 9.90e-01 1.02e+00 6.78e+01 angle pdb=" N LYS A1846 " pdb=" CA LYS A1846 " pdb=" C LYS A1846 " ideal model delta sigma weight residual 108.07 114.85 -6.78 8.90e-01 1.26e+00 5.80e+01 angle pdb=" N THR A 905 " pdb=" CA THR A 905 " pdb=" C THR A 905 " ideal model delta sigma weight residual 112.24 121.67 -9.43 1.28e+00 6.10e-01 5.43e+01 angle pdb=" CA PRO A1489 " pdb=" N PRO A1489 " pdb=" CD PRO A1489 " ideal model delta sigma weight residual 112.00 103.15 8.85 1.40e+00 5.10e-01 3.99e+01 angle pdb=" N ILE A 723 " pdb=" CA ILE A 723 " pdb=" C ILE A 723 " ideal model delta sigma weight residual 110.23 116.55 -6.32 1.04e+00 9.25e-01 3.70e+01 ... (remaining 24347 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 11.95: 7283 11.95 - 23.90: 397 23.90 - 35.86: 83 35.86 - 47.81: 60 47.81 - 59.76: 44 Dihedral angle restraints: 7867 sinusoidal: 2278 harmonic: 5589 Sorted by residual: dihedral pdb=" CA ARG A1571 " pdb=" C ARG A1571 " pdb=" N LYS A1572 " pdb=" CA LYS A1572 " ideal model delta harmonic sigma weight residual 180.00 150.95 29.05 0 5.00e+00 4.00e-02 3.38e+01 dihedral pdb=" CA PRO A1054 " pdb=" C PRO A1054 " pdb=" N LEU A1055 " pdb=" CA LEU A1055 " ideal model delta harmonic sigma weight residual -180.00 -150.99 -29.01 0 5.00e+00 4.00e-02 3.37e+01 dihedral pdb=" CA LEU A1421 " pdb=" C LEU A1421 " pdb=" N SER A1422 " pdb=" CA SER A1422 " ideal model delta harmonic sigma weight residual 180.00 151.08 28.92 0 5.00e+00 4.00e-02 3.34e+01 ... (remaining 7864 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.099: 1503 0.099 - 0.199: 254 0.199 - 0.298: 67 0.298 - 0.398: 9 0.398 - 0.497: 2 Chirality restraints: 1835 Sorted by residual: chirality pdb=" CA PRO A1489 " pdb=" N PRO A1489 " pdb=" C PRO A1489 " pdb=" CB PRO A1489 " both_signs ideal model delta sigma weight residual False 2.72 2.22 0.50 2.00e-01 2.50e+01 6.18e+00 chirality pdb=" CA THR A 905 " pdb=" N THR A 905 " pdb=" C THR A 905 " pdb=" CB THR A 905 " both_signs ideal model delta sigma weight residual False 2.53 2.08 0.44 2.00e-01 2.50e+01 4.91e+00 chirality pdb=" CA ASN A 699 " pdb=" N ASN A 699 " pdb=" C ASN A 699 " pdb=" CB ASN A 699 " both_signs ideal model delta sigma weight residual False 2.51 2.16 0.35 2.00e-01 2.50e+01 3.02e+00 ... (remaining 1832 not shown) Planarity restraints: 3838 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C LYS A1690 " -0.040 2.00e-02 2.50e+03 7.25e-02 5.26e+01 pdb=" N VAL A1691 " 0.125 2.00e-02 2.50e+03 pdb=" CA VAL A1691 " -0.036 2.00e-02 2.50e+03 pdb=" H VAL A1691 " -0.049 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C GLU A 904 " 0.035 2.00e-02 2.50e+03 6.16e-02 3.80e+01 pdb=" N THR A 905 " -0.107 2.00e-02 2.50e+03 pdb=" CA THR A 905 " 0.031 2.00e-02 2.50e+03 pdb=" H THR A 905 " 0.041 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C ILE A1494 " 0.034 2.00e-02 2.50e+03 6.05e-02 3.67e+01 pdb=" N SER A1495 " -0.105 2.00e-02 2.50e+03 pdb=" CA SER A1495 " 0.031 2.00e-02 2.50e+03 pdb=" H SER A1495 " 0.040 2.00e-02 2.50e+03 ... (remaining 3835 not shown) Histogram of nonbonded interaction distances: 1.66 - 2.21: 706 2.21 - 2.76: 13976 2.76 - 3.31: 27607 3.31 - 3.85: 24414 3.85 - 4.40: 33240 Nonbonded interactions: 99943 Sorted by model distance: nonbonded pdb=" H GLU A1027 " pdb=" HA ALA A1044 " model vdw 1.664 2.270 nonbonded pdb=" H LYS A 65 " pdb=" H SER A 66 " model vdw 1.730 2.100 nonbonded pdb=" H ASP A 336 " pdb=" H MET A 337 " model vdw 1.731 2.100 nonbonded pdb=" O VAL A 989 " pdb=" H LEU A 993 " model vdw 1.747 2.450 nonbonded pdb=" H ASN A1889 " pdb=" O VAL A1893 " model vdw 1.788 2.450 ... (remaining 99938 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 ========== WARNING! ============ No NCS relation were found !!! ================================ Found NCS groups: found none. 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: 5.570 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: 0.440 Extract box with map and model: 0.570 Check model and map are aligned: 0.110 Set scattering table: 0.130 Process input model: 38.450 Find NCS groups from input model: 0.240 Set up NCS constraints: 0.090 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:2.830 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 48.440 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4648 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.010 0.043 9670 Z= 0.745 Angle : 2.162 10.753 13505 Z= 1.407 Chirality : 0.085 0.497 1835 Planarity : 0.008 0.136 1963 Dihedral : 8.708 29.051 2054 Min Nonbonded Distance : 2.616 Molprobity Statistics. All-atom Clashscore : 0.14 Ramachandran Plot: Outliers : 5.13 % Allowed : 19.31 % Favored : 75.56 % Rotamer: Outliers : 0.00 % Allowed : 2.22 % Favored : 97.78 % Cbeta Deviations : 0.05 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.87 (0.18), residues: 1911 helix: -2.06 (0.24), residues: 370 sheet: -4.57 (0.66), residues: 29 loop : -2.94 (0.15), residues: 1512 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.17873 ( 296) hydrogen bonds : angle 9.37345 ( 699) covalent geometry : bond 0.01017 ( 9670) covalent geometry : angle 2.16205 (13505) *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 42 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 42 time to evaluate : 1.420 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 42 average time/residue: 0.1591 time to fit residues: 14.4540 Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 1.300 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 162 optimal weight: 0.8980 chunk 145 optimal weight: 0.8980 chunk 80 optimal weight: 1.9990 chunk 49 optimal weight: 0.9990 chunk 98 optimal weight: 0.7980 chunk 77 optimal weight: 1.9990 chunk 150 optimal weight: 0.8980 chunk 58 optimal weight: 0.9980 chunk 91 optimal weight: 0.9980 chunk 112 optimal weight: 0.6980 chunk 174 optimal weight: 0.0980 overall best weight: 0.6780 ------------------------------------------------------------------------------- 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 = 0.4489 r_free = 0.4489 target = 0.195511 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 49)----------------| | r_work = 0.4220 r_free = 0.4220 target = 0.172980 restraints weight = 57564.460| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 35)----------------| | r_work = 0.4231 r_free = 0.4231 target = 0.174037 restraints weight = 47732.243| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 36)----------------| | r_work = 0.4252 r_free = 0.4252 target = 0.175538 restraints weight = 44477.418| |-----------------------------------------------------------------------------| r_work (final): 0.4228 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5353 moved from start: 0.2069 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.041 9670 Z= 0.154 Angle : 0.744 12.266 13505 Z= 0.424 Chirality : 0.045 0.245 1835 Planarity : 0.005 0.148 1963 Dihedral : 7.386 32.336 1919 Min Nonbonded Distance : 2.395 Molprobity Statistics. All-atom Clashscore : 3.71 Ramachandran Plot: Outliers : 1.41 % Allowed : 18.11 % Favored : 80.48 % Rotamer: Outliers : 2.22 % Allowed : 0.00 % Favored : 97.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 0.00 % Twisted General : 0.32 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.27 (0.17), residues: 1911 helix: -2.26 (0.23), residues: 409 sheet: -4.15 (0.39), residues: 101 loop : -3.17 (0.15), residues: 1401 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.04379 ( 296) hydrogen bonds : angle 7.66749 ( 699) covalent geometry : bond 0.00239 ( 9670) covalent geometry : angle 0.74380 (13505) *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 43 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 1 poor density : 42 time to evaluate : 1.381 Fit side-chains revert: symmetry clash outliers start: 1 outliers final: 1 residues processed: 43 average time/residue: 0.1529 time to fit residues: 14.1886 Evaluate side-chains 42 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 1 poor density : 41 time to evaluate : 1.340 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 172 optimal weight: 0.2980 chunk 53 optimal weight: 0.2980 chunk 43 optimal weight: 4.9990 chunk 90 optimal weight: 0.9990 chunk 64 optimal weight: 0.9990 chunk 173 optimal weight: 3.9990 chunk 71 optimal weight: 2.9990 chunk 180 optimal weight: 0.3980 chunk 110 optimal weight: 2.9990 chunk 11 optimal weight: 3.9990 chunk 79 optimal weight: 0.8980 overall best weight: 0.5782 ------------------------------------------------------------------------------- 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 = 0.4494 r_free = 0.4494 target = 0.196018 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 46)----------------| | r_work = 0.4216 r_free = 0.4216 target = 0.172765 restraints weight = 57056.047| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 35)----------------| | r_work = 0.4229 r_free = 0.4229 target = 0.173899 restraints weight = 46774.346| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 32)----------------| | r_work = 0.4245 r_free = 0.4245 target = 0.175160 restraints weight = 42895.193| |-----------------------------------------------------------------------------| r_work (final): 0.4222 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5372 moved from start: 0.2600 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.058 9670 Z= 0.124 Angle : 0.623 10.103 13505 Z= 0.351 Chirality : 0.044 0.260 1835 Planarity : 0.005 0.130 1963 Dihedral : 6.094 31.783 1919 Min Nonbonded Distance : 2.276 Molprobity Statistics. All-atom Clashscore : 2.14 Ramachandran Plot: Outliers : 1.26 % Allowed : 21.93 % Favored : 76.82 % Rotamer: Outliers : 2.22 % Allowed : 0.00 % Favored : 97.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 0.00 % Twisted General : 0.11 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.12 (0.18), residues: 1911 helix: -1.90 (0.25), residues: 400 sheet: -4.18 (0.44), residues: 88 loop : -3.17 (0.15), residues: 1423 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.03398 ( 296) hydrogen bonds : angle 7.02122 ( 699) covalent geometry : bond 0.00203 ( 9670) covalent geometry : angle 0.62251 (13505) *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 42 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 1 poor density : 41 time to evaluate : 3.015 Fit side-chains outliers start: 1 outliers final: 0 residues processed: 42 average time/residue: 0.2291 time to fit residues: 20.5311 Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 1.550 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 109 optimal weight: 1.9990 chunk 130 optimal weight: 2.9990 chunk 79 optimal weight: 0.4980 chunk 178 optimal weight: 0.8980 chunk 179 optimal weight: 8.9990 chunk 82 optimal weight: 3.9990 chunk 18 optimal weight: 2.9990 chunk 162 optimal weight: 2.9990 chunk 48 optimal weight: 2.9990 chunk 134 optimal weight: 0.0470 chunk 43 optimal weight: 4.9990 overall best weight: 1.2882 ------------------------------------------------------------------------------- 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 = 0.4441 r_free = 0.4441 target = 0.191518 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.4122 r_free = 0.4122 target = 0.165124 restraints weight = 56471.650| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.4141 r_free = 0.4141 target = 0.166872 restraints weight = 46917.321| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 35)----------------| | r_work = 0.4161 r_free = 0.4161 target = 0.168392 restraints weight = 42031.602| |-----------------------------------------------------------------------------| r_work (final): 0.4140 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5548 moved from start: 0.2860 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.049 9670 Z= 0.223 Angle : 0.728 15.186 13505 Z= 0.416 Chirality : 0.045 0.280 1835 Planarity : 0.006 0.159 1963 Dihedral : 7.048 35.549 1919 Min Nonbonded Distance : 2.236 Molprobity Statistics. All-atom Clashscore : 7.41 Ramachandran Plot: Outliers : 1.41 % Allowed : 24.54 % Favored : 74.05 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.16 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.48 (0.17), residues: 1911 helix: -2.36 (0.23), residues: 399 sheet: -3.80 (0.46), residues: 86 loop : -3.41 (0.15), residues: 1426 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.04458 ( 296) hydrogen bonds : angle 7.86128 ( 699) covalent geometry : bond 0.00340 ( 9670) covalent geometry : angle 0.72785 (13505) *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 2.222 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 41 average time/residue: 0.2797 time to fit residues: 23.5438 Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 2.836 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 107 optimal weight: 0.7980 chunk 40 optimal weight: 2.9990 chunk 52 optimal weight: 2.9990 chunk 1 optimal weight: 2.9990 chunk 165 optimal weight: 3.9990 chunk 20 optimal weight: 0.1980 chunk 124 optimal weight: 0.0670 chunk 9 optimal weight: 2.9990 chunk 160 optimal weight: 0.1980 chunk 22 optimal weight: 0.6980 chunk 29 optimal weight: 3.9990 overall best weight: 0.3918 ------------------------------------------------------------------------------- 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 = 0.4498 r_free = 0.4498 target = 0.196364 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 48)----------------| | r_work = 0.4231 r_free = 0.4231 target = 0.174070 restraints weight = 56675.042| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.4246 r_free = 0.4246 target = 0.175330 restraints weight = 47443.470| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 40)----------------| | r_work = 0.4256 r_free = 0.4256 target = 0.176161 restraints weight = 42647.544| |-----------------------------------------------------------------------------| r_work (final): 0.4234 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5363 moved from start: 0.3156 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.039 9670 Z= 0.102 Angle : 0.573 11.813 13505 Z= 0.319 Chirality : 0.044 0.227 1835 Planarity : 0.005 0.142 1963 Dihedral : 5.660 30.865 1919 Min Nonbonded Distance : 2.238 Molprobity Statistics. All-atom Clashscore : 2.00 Ramachandran Plot: Outliers : 1.31 % Allowed : 20.51 % Favored : 78.18 % Rotamer: Outliers : 0.00 % Allowed : 2.22 % Favored : 97.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.18 (0.18), residues: 1911 helix: -1.70 (0.25), residues: 390 sheet: -3.88 (0.39), residues: 107 loop : -3.29 (0.15), residues: 1414 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.03043 ( 296) hydrogen bonds : angle 6.66203 ( 699) covalent geometry : bond 0.00172 ( 9670) covalent geometry : angle 0.57324 (13505) *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 1.322 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 41 average time/residue: 0.1578 time to fit residues: 13.8062 Evaluate side-chains 41 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 41 time to evaluate : 1.311 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 0 optimal weight: 6.9990 chunk 184 optimal weight: 7.9990 chunk 107 optimal weight: 0.7980 chunk 59 optimal weight: 0.7980 chunk 52 optimal weight: 0.9980 chunk 99 optimal weight: 5.9990 chunk 39 optimal weight: 2.9990 chunk 157 optimal weight: 3.9990 chunk 149 optimal weight: 2.9990 chunk 126 optimal weight: 3.9990 chunk 76 optimal weight: 1.9990 overall best weight: 1.5184 ------------------------------------------------------------------------------- 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 = 0.4428 r_free = 0.4428 target = 0.190255 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 53)----------------| | r_work = 0.4143 r_free = 0.4143 target = 0.166696 restraints weight = 57566.931| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 32)----------------| | r_work = 0.4156 r_free = 0.4156 target = 0.168176 restraints weight = 49664.485| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 31)----------------| | r_work = 0.4178 r_free = 0.4178 target = 0.169803 restraints weight = 44004.590| |-----------------------------------------------------------------------------| r_work (final): 0.4150 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5563 moved from start: 0.3282 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.050 9670 Z= 0.245 Angle : 0.740 20.335 13505 Z= 0.420 Chirality : 0.045 0.272 1835 Planarity : 0.006 0.168 1963 Dihedral : 6.994 34.706 1919 Min Nonbonded Distance : 2.223 Molprobity Statistics. All-atom Clashscore : 9.69 Ramachandran Plot: Outliers : 1.41 % Allowed : 26.69 % Favored : 71.90 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.16 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.63 (0.17), residues: 1911 helix: -2.45 (0.23), residues: 391 sheet: -3.66 (0.42), residues: 102 loop : -3.52 (0.16), residues: 1418 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.04614 ( 296) hydrogen bonds : angle 7.93231 ( 699) covalent geometry : bond 0.00373 ( 9670) covalent geometry : angle 0.73977 (13505) *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.237 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 40 average time/residue: 0.1455 time to fit residues: 12.7108 Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.115 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 34 optimal weight: 0.6980 chunk 110 optimal weight: 1.9990 chunk 88 optimal weight: 1.9990 chunk 142 optimal weight: 2.9990 chunk 26 optimal weight: 0.9980 chunk 21 optimal weight: 2.9990 chunk 22 optimal weight: 1.9990 chunk 94 optimal weight: 10.0000 chunk 146 optimal weight: 2.9990 chunk 97 optimal weight: 0.3980 chunk 81 optimal weight: 2.9990 overall best weight: 1.2184 ------------------------------------------------------------------------------- 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 = 0.4447 r_free = 0.4447 target = 0.192149 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 62)----------------| | r_work = 0.4230 r_free = 0.4230 target = 0.175006 restraints weight = 61524.381| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 48)----------------| | r_work = 0.4244 r_free = 0.4244 target = 0.175956 restraints weight = 54472.460| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 35)----------------| | r_work = 0.4251 r_free = 0.4251 target = 0.176471 restraints weight = 50687.327| |-----------------------------------------------------------------------------| r_work (final): 0.4211 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5440 moved from start: 0.3529 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.043 9670 Z= 0.201 Angle : 0.669 7.439 13505 Z= 0.384 Chirality : 0.045 0.172 1835 Planarity : 0.005 0.059 1963 Dihedral : 6.712 35.291 1919 Min Nonbonded Distance : 2.305 Molprobity Statistics. All-atom Clashscore : 5.99 Ramachandran Plot: Outliers : 1.47 % Allowed : 25.38 % Favored : 73.16 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.11 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.73 (0.17), residues: 1911 helix: -2.44 (0.23), residues: 388 sheet: -3.83 (0.41), residues: 106 loop : -3.61 (0.15), residues: 1417 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.04167 ( 296) hydrogen bonds : angle 7.65907 ( 699) covalent geometry : bond 0.00309 ( 9670) covalent geometry : angle 0.66923 (13505) *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.437 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 40 average time/residue: 0.1558 time to fit residues: 13.6226 Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.352 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 47 optimal weight: 4.9990 chunk 113 optimal weight: 1.9990 chunk 39 optimal weight: 2.9990 chunk 85 optimal weight: 1.9990 chunk 124 optimal weight: 0.9980 chunk 42 optimal weight: 0.9990 chunk 126 optimal weight: 3.9990 chunk 164 optimal weight: 3.9990 chunk 59 optimal weight: 2.9990 chunk 29 optimal weight: 3.9990 chunk 162 optimal weight: 3.9990 overall best weight: 1.7988 ------------------------------------------------------------------------------- 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 = 0.4405 r_free = 0.4405 target = 0.188559 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 55)----------------| | r_work = 0.4196 r_free = 0.4196 target = 0.172327 restraints weight = 61429.019| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 34)----------------| | r_work = 0.4201 r_free = 0.4201 target = 0.172741 restraints weight = 53262.408| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 30)----------------| | r_work = 0.4205 r_free = 0.4205 target = 0.172984 restraints weight = 50077.498| |-----------------------------------------------------------------------------| r_work (final): 0.4163 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5544 moved from start: 0.3869 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.056 9670 Z= 0.294 Angle : 0.791 8.698 13505 Z= 0.463 Chirality : 0.046 0.178 1835 Planarity : 0.006 0.066 1963 Dihedral : 7.646 37.348 1919 Min Nonbonded Distance : 2.262 Molprobity Statistics. All-atom Clashscore : 15.03 Ramachandran Plot: Outliers : 1.47 % Allowed : 30.14 % Favored : 68.39 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 0.00 % Twisted General : 0.16 % 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: -5.16 (0.17), residues: 1911 helix: -2.95 (0.22), residues: 368 sheet: -3.93 (0.43), residues: 82 loop : -3.88 (0.15), residues: 1461 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.05295 ( 296) hydrogen bonds : angle 8.61815 ( 699) covalent geometry : bond 0.00447 ( 9670) covalent geometry : angle 0.79128 (13505) *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.452 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 40 average time/residue: 0.1473 time to fit residues: 12.7023 Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.258 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 19 optimal weight: 0.9990 chunk 52 optimal weight: 2.9990 chunk 51 optimal weight: 0.6980 chunk 72 optimal weight: 0.7980 chunk 144 optimal weight: 1.9990 chunk 180 optimal weight: 3.9990 chunk 137 optimal weight: 2.9990 chunk 76 optimal weight: 0.0270 chunk 90 optimal weight: 0.5980 chunk 1 optimal weight: 0.8980 chunk 189 optimal weight: 10.0000 overall best weight: 0.6038 ------------------------------------------------------------------------------- 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 = 0.4466 r_free = 0.4466 target = 0.193663 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 53)----------------| | r_work = 0.4250 r_free = 0.4250 target = 0.176449 restraints weight = 61455.806| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 42)----------------| | r_work = 0.4258 r_free = 0.4258 target = 0.177025 restraints weight = 55713.974| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 35)----------------| | r_work = 0.4266 r_free = 0.4266 target = 0.177639 restraints weight = 52515.850| |-----------------------------------------------------------------------------| r_work (final): 0.4228 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5410 moved from start: 0.3922 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.031 9670 Z= 0.126 Angle : 0.598 7.065 13505 Z= 0.338 Chirality : 0.044 0.172 1835 Planarity : 0.004 0.058 1963 Dihedral : 6.205 33.155 1919 Min Nonbonded Distance : 2.351 Molprobity Statistics. All-atom Clashscore : 3.78 Ramachandran Plot: Outliers : 1.41 % Allowed : 22.03 % Favored : 76.56 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.11 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.73 (0.17), residues: 1911 helix: -2.10 (0.24), residues: 365 sheet: -4.16 (0.40), residues: 100 loop : -3.68 (0.15), residues: 1446 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.03473 ( 296) hydrogen bonds : angle 7.20843 ( 699) covalent geometry : bond 0.00203 ( 9670) covalent geometry : angle 0.59753 (13505) *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.284 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 40 average time/residue: 0.1502 time to fit residues: 12.9180 Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.312 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 32 optimal weight: 0.0070 chunk 188 optimal weight: 10.0000 chunk 25 optimal weight: 2.9990 chunk 58 optimal weight: 0.2980 chunk 170 optimal weight: 0.0070 chunk 2 optimal weight: 1.9990 chunk 123 optimal weight: 6.9990 chunk 48 optimal weight: 1.9990 chunk 146 optimal weight: 3.9990 chunk 71 optimal weight: 0.0670 chunk 143 optimal weight: 2.9990 overall best weight: 0.4756 ------------------------------------------------------------------------------- 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 = 0.4483 r_free = 0.4483 target = 0.195158 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 76)----------------| | r_work = 0.4270 r_free = 0.4270 target = 0.177834 restraints weight = 61885.013| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 39)----------------| | r_work = 0.4280 r_free = 0.4280 target = 0.178990 restraints weight = 56326.466| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 47)----------------| | r_work = 0.4296 r_free = 0.4296 target = 0.179784 restraints weight = 50238.078| |-----------------------------------------------------------------------------| r_work (final): 0.4262 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5322 moved from start: 0.4132 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.025 9670 Z= 0.109 Angle : 0.542 6.243 13505 Z= 0.304 Chirality : 0.044 0.176 1835 Planarity : 0.004 0.054 1963 Dihedral : 5.345 29.984 1919 Min Nonbonded Distance : 2.384 Molprobity Statistics. All-atom Clashscore : 2.21 Ramachandran Plot: Outliers : 1.41 % Allowed : 23.44 % Favored : 75.14 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.39 (0.18), residues: 1911 helix: -1.63 (0.25), residues: 391 sheet: -4.10 (0.37), residues: 105 loop : -3.50 (0.16), residues: 1415 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.02857 ( 296) hydrogen bonds : angle 6.39846 ( 699) covalent geometry : bond 0.00180 ( 9670) covalent geometry : angle 0.54232 (13505) ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3822 Ramachandran restraints generated. 1911 Oldfield, 0 Emsley, 1911 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LYS 1 is missing expected H atoms. Skipping. Residue LEU 4 is missing expected H atoms. Skipping. Residue LYS 6 is missing expected H atoms. Skipping. Residue MET 7 is missing expected H atoms. Skipping. Residue ILE 8 is missing expected H atoms. Skipping. Residue LEU 11 is missing expected H atoms. Skipping. Residue LYS 12 is missing expected H atoms. Skipping. Residue LYS 13 is missing expected H atoms. Skipping. Residue LEU 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue LYS 20 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue LYS 25 is missing expected H atoms. Skipping. Residue LEU 26 is missing expected H atoms. Skipping. Residue LYS 32 is missing expected H atoms. Skipping. Residue LYS 33 is missing expected H atoms. Skipping. Residue LYS 35 is missing expected H atoms. Skipping. Residue SER 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue SER 45 is missing expected H atoms. Skipping. Residue VAL 46 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue VAL 50 is missing expected H atoms. Skipping. Residue LEU 51 is missing expected H atoms. Skipping. Residue LYS 54 is missing expected H atoms. Skipping. Residue LYS 56 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue SER 2 is missing expected H atoms. Skipping. Residue LEU 3 is missing expected H atoms. Skipping. Residue VAL 4 is missing expected H atoms. Skipping. Residue LYS 7 is missing expected H atoms. Skipping. Residue LEU 9 is missing expected H atoms. Skipping. Residue LYS 11 is missing expected H atoms. Skipping. Residue MET 12 is missing expected H atoms. Skipping. Residue VAL 15 is missing expected H atoms. Skipping. Residue THR 19 is missing expected H atoms. Skipping. Residue TYR 24 is missing expected H atoms. Skipping. Residue VAL 25 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue LEU 31 is missing expected H atoms. Skipping. Residue TYR 34 is missing expected H atoms. Skipping. Residue MET 37 is missing expected H atoms. Skipping. Residue SER 38 is missing expected H atoms. Skipping. Residue THR 41 is missing expected H atoms. Skipping. Residue VAL 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue LYS 45 is missing expected H atoms. Skipping. Residue TYR 46 is missing expected H atoms. Skipping. Residue LEU 47 is missing expected H atoms. Skipping. Residue LYS 48 is missing expected H atoms. Skipping. Residue LEU 49 is missing expected H atoms. Skipping. Residue LYS 50 is missing expected H atoms. Skipping. Residue ILE 52 is missing expected H atoms. Skipping. Residue SER 54 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 56 is missing expected H atoms. Skipping. Residue ILE 58 is missing expected H atoms. Skipping. Residue TYR 59 is missing expected H atoms. Skipping. Residue ILE 60 is missing expected H atoms. Skipping. Residue THR 62 is missing expected H atoms. Skipping. Residue TYR 63 is missing expected H atoms. Skipping. Residue LYS 64 is missing expected H atoms. Skipping. Residue LYS 65 is missing expected H atoms. Skipping. Residue SER 66 is missing expected H atoms. Skipping. Residue LYS 70 is missing expected H atoms. Skipping. Residue LEU 72 is missing expected H atoms. Skipping. Residue LYS 73 is missing expected H atoms. Skipping. Residue LYS 74 is missing expected H atoms. Skipping. Residue LYS 76 is missing expected H atoms. Skipping. Residue TYR 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue VAL 80 is missing expected H atoms. Skipping. Residue THR 81 is missing expected H atoms. Skipping. Residue VAL 83 is missing expected H atoms. Skipping. Residue LEU 84 is missing expected H atoms. Skipping. Residue LEU 86 is missing expected H atoms. Skipping. Residue LYS 87 is missing expected H atoms. Skipping. Residue LEU 91 is missing expected H atoms. Skipping. Residue THR 92 is missing expected H atoms. Skipping. Residue VAL 94 is missing expected H atoms. Skipping. Residue LYS 96 is missing expected H atoms. Skipping. Residue LEU 98 is missing expected H atoms. Skipping. Residue VAL 101 is missing expected H atoms. Skipping. Residue ALA 102 is missing expected H atoms. Skipping. Residue ILE 103 is missing expected H atoms. Skipping. Residue ILE 107 is missing expected H atoms. Skipping. Residue THR 110 is missing expected H atoms. Skipping. Residue ILE 112 is missing expected H atoms. Skipping. Residue TYR 114 is missing expected H atoms. Skipping. Residue ILE 115 is missing expected H atoms. Skipping. Residue LYS 119 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue SER 123 is missing expected H atoms. Skipping. Residue TYR 125 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue TYR 131 is missing expected H atoms. Skipping. Residue SER 133 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue ILE 138 is missing expected H atoms. Skipping. Residue THR 140 is missing expected H atoms. Skipping. Residue LEU 141 is missing expected H atoms. Skipping. Residue LYS 142 is missing expected H atoms. Skipping. Residue LYS 143 is missing expected H atoms. Skipping. Residue THR 144 is missing expected H atoms. Skipping. Residue VAL 145 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue SER 148 is missing expected H atoms. Skipping. Residue ILE 150 is missing expected H atoms. Skipping. Residue THR 153 is missing expected H atoms. Skipping. Residue LEU 154 is missing expected H atoms. Skipping. Residue SER 156 is missing expected H atoms. Skipping. Residue LEU 161 is missing expected H atoms. Skipping. Residue TYR 168 is missing expected H atoms. Skipping. Residue LYS 170 is missing expected H atoms. Skipping. Residue LYS 174 is missing expected H atoms. Skipping. Residue MET 176 is missing expected H atoms. Skipping. Residue ILE 178 is missing expected H atoms. Skipping. Residue ILE 179 is missing expected H atoms. Skipping. Residue TYR 180 is missing expected H atoms. Skipping. Residue LYS 182 is missing expected H atoms. Skipping. Residue LYS 184 is missing expected H atoms. Skipping. Residue ILE 187 is missing expected H atoms. Skipping. Residue TYR 189 is missing expected H atoms. Skipping. Residue TYR 190 is missing expected H atoms. Skipping. Residue LYS 191 is missing expected H atoms. Skipping. Residue LEU 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 202 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue VAL 206 is missing expected H atoms. Skipping. Residue LYS 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue TYR 209 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 214 is missing expected H atoms. Skipping. Residue SER 215 is missing expected H atoms. Skipping. Residue LYS 216 is missing expected H atoms. Skipping. Residue ILE 218 is missing expected H atoms. Skipping. Residue LEU 221 is missing expected H atoms. Skipping. Residue THR 223 is missing expected H atoms. Skipping. Residue TYR 224 is missing expected H atoms. Skipping. Residue ILE 225 is missing expected H atoms. Skipping. Residue SER 228 is missing expected H atoms. Skipping. Residue LEU 229 is missing expected H atoms. Skipping. Residue LYS 231 is missing expected H atoms. Skipping. Residue ILE 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue SER 236 is missing expected H atoms. Skipping. Residue VAL 240 is missing expected H atoms. Skipping. Residue LYS 247 is missing expected H atoms. Skipping. Residue SER 251 is missing expected H atoms. Skipping. Residue LEU 254 is missing expected H atoms. Skipping. Residue TYR 255 is missing expected H atoms. Skipping. Residue LEU 259 is missing expected H atoms. Skipping. Residue VAL 260 is missing expected H atoms. Skipping. Residue LEU 265 is missing expected H atoms. Skipping. Residue SER 269 is missing expected H atoms. Skipping. Residue ILE 271 is missing expected H atoms. Skipping. Residue LEU 272 is missing expected H atoms. Skipping. Residue ILE 274 is missing expected H atoms. Skipping. Residue SER 275 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 ILE 280 is missing expected H atoms. Skipping. Residue MET 283 is missing expected H atoms. Skipping. Residue TYR 284 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue VAL 287 is missing expected H atoms. Skipping. Residue MET 289 is missing expected H atoms. Skipping. Residue LEU 290 is missing expected H atoms. Skipping. Residue ILE 293 is missing expected H atoms. Skipping. Residue LEU 297 is missing expected H atoms. Skipping. Residue SER 300 is missing expected H atoms. Skipping. Residue ILE 301 is missing expected H atoms. Skipping. Residue LYS 303 is missing expected H atoms. Skipping. Residue SER 305 is missing expected H atoms. Skipping. Residue SER 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue VAL 309 is missing expected H atoms. Skipping. Residue MET 314 is missing expected H atoms. Skipping. Residue THR 315 is missing expected H atoms. Skipping. Residue LYS 316 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue ILE 320 is missing expected H atoms. Skipping. Residue MET 321 is missing expected H atoms. Skipping. Residue LYS 322 is missing expected H atoms. Skipping. Residue TYR 323 is missing expected H atoms. Skipping. Residue LYS 324 is missing expected H atoms. Skipping. Residue TYR 326 is missing expected H atoms. Skipping. Residue ILE 327 is missing expected H atoms. Skipping. Residue TYR 330 is missing expected H atoms. Skipping. Residue THR 331 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue MET 337 is missing expected H atoms. Skipping. Residue LEU 338 is missing expected H atoms. Skipping. Residue VAL 342 is missing expected H atoms. Skipping. Residue SER 344 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue SER 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue LEU 350 is missing expected H atoms. Skipping. Residue SER 352 is missing expected H atoms. Skipping. Residue LYS 353 is missing expected H atoms. Skipping. Residue SER 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue SER 357 is missing expected H atoms. Skipping. Residue ILE 359 is missing expected H atoms. Skipping. Residue SER 361 is missing expected H atoms. Skipping. Residue SER 362 is missing expected H atoms. Skipping. Residue LEU 363 is missing expected H atoms. Skipping. Residue MET 366 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue LEU 371 is missing expected H atoms. Skipping. Residue VAL 373 is missing expected H atoms. Skipping. Residue LYS 374 is missing expected H atoms. Skipping. Residue ILE 375 is missing expected H atoms. Skipping. Residue SER 379 is missing expected H atoms. Skipping. Residue LYS 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue ILE 383 is missing expected H atoms. Skipping. Residue LEU 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue SER 389 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LYS 391 is missing expected H atoms. Skipping. Residue SER 393 is missing expected H atoms. Skipping. Residue TYR 394 is missing expected H atoms. Skipping. Residue SER 396 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue ILE 399 is missing expected H atoms. Skipping. Residue VAL 400 is missing expected H atoms. Skipping. Residue LYS 401 is missing expected H atoms. Skipping. Residue ILE 403 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue LYS 408 is missing expected H atoms. Skipping. Residue ILE 409 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue SER 413 is missing expected H atoms. Skipping. Residue LEU 414 is missing expected H atoms. Skipping. Residue ILE 418 is missing expected H atoms. Skipping. Residue SER 419 is missing expected H atoms. Skipping. Residue THR 426 is missing expected H atoms. Skipping. Residue THR 427 is missing expected H atoms. Skipping. Residue THR 428 is missing expected H atoms. Skipping. Residue THR 430 is missing expected H atoms. Skipping. Residue ILE 432 is missing expected H atoms. Skipping. Residue SER 434 is missing expected H atoms. Skipping. Residue ILE 435 is missing expected H atoms. Skipping. Residue MET 436 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue MET 448 is missing expected H atoms. Skipping. Residue LEU 450 is missing expected H atoms. Skipping. Residue LYS 452 is missing expected H atoms. Skipping. Residue TYR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue VAL 456 is missing expected H atoms. Skipping. Residue VAL 462 is missing expected H atoms. Skipping. Residue LYS 463 is missing expected H atoms. Skipping. Residue THR 464 is missing expected H atoms. Skipping. Residue THR 465 is missing expected H atoms. Skipping. Residue ILE 466 is missing expected H atoms. Skipping. Residue LEU 468 is missing expected H atoms. Skipping. Residue SER 469 is missing expected H atoms. Skipping. Residue TYR 474 is missing expected H atoms. Skipping. Residue TYR 478 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue MET 483 is missing expected H atoms. Skipping. Residue LYS 485 is missing expected H atoms. Skipping. Residue SER 488 is missing expected H atoms. Skipping. Residue MET 489 is missing expected H atoms. Skipping. Residue ILE 491 is missing expected H atoms. Skipping. Residue LEU 493 is missing expected H atoms. Skipping. Residue ILE 494 is missing expected H atoms. Skipping. Residue LEU 498 is missing expected H atoms. Skipping. Residue ILE 503 is missing expected H atoms. Skipping. Residue SER 504 is missing expected H atoms. Skipping. Residue LYS 505 is missing expected H atoms. Skipping. Residue THR 506 is missing expected H atoms. Skipping. Residue ILE 508 is missing expected H atoms. Skipping. Residue SER 509 is missing expected H atoms. Skipping. Residue SER 511 is missing expected H atoms. Skipping. Residue THR 512 is missing expected H atoms. Skipping. Residue MET 516 is missing expected H atoms. Skipping. Residue SER 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue SER 521 is missing expected H atoms. Skipping. Residue LYS 528 is missing expected H atoms. Skipping. Residue TYR 534 is missing expected H atoms. Skipping. Residue LYS 535 is missing expected H atoms. Skipping. Residue TYR 538 is missing expected H atoms. Skipping. Residue SER 542 is missing expected H atoms. Skipping. Residue ALA 543 is missing expected H atoms. Skipping. Residue LEU 549 is missing expected H atoms. Skipping. Residue SER 552 is missing expected H atoms. Skipping. Residue ILE 555 is missing expected H atoms. Skipping. Residue VAL 556 is missing expected H atoms. Skipping. Residue VAL 557 is missing expected H atoms. Skipping. Residue LYS 559 is missing expected H atoms. Skipping. Residue TYR 561 is missing expected H atoms. Skipping. Residue LEU 562 is missing expected H atoms. Skipping. Residue LEU 563 is missing expected H atoms. Skipping. Residue LYS 565 is missing expected H atoms. Skipping. Residue ILE 566 is missing expected H atoms. Skipping. Residue SER 567 is missing expected H atoms. Skipping. Residue SER 568 is missing expected H atoms. Skipping. Residue LEU 569 is missing expected H atoms. Skipping. Residue SER 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue ILE 578 is missing expected H atoms. Skipping. Residue TYR 580 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue LYS 588 is missing expected H atoms. Skipping. Residue ILE 589 is missing expected H atoms. Skipping. Residue SER 590 is missing expected H atoms. Skipping. Residue TYR 591 is missing expected H atoms. Skipping. Residue LEU 597 is missing expected H atoms. Skipping. Residue LYS 600 is missing expected H atoms. Skipping. Residue THR 601 is missing expected H atoms. Skipping. Residue TYR 603 is missing expected H atoms. Skipping. Residue SER 605 is missing expected H atoms. Skipping. Residue VAL 606 is missing expected H atoms. Skipping. Residue LEU 607 is missing expected H atoms. Skipping. Residue LYS 610 is missing expected H atoms. Skipping. Residue ILE 612 is missing expected H atoms. Skipping. Residue SER 615 is missing expected H atoms. Skipping. Residue ILE 617 is missing expected H atoms. Skipping. Residue TYR 619 is missing expected H atoms. Skipping. Residue TYR 620 is missing expected H atoms. Skipping. Residue TYR 621 is missing expected H atoms. Skipping. Residue ILE 628 is missing expected H atoms. Skipping. Residue ILE 631 is missing expected H atoms. Skipping. Residue LYS 633 is missing expected H atoms. Skipping. Residue TYR 634 is missing expected H atoms. Skipping. Residue LYS 635 is missing expected H atoms. Skipping. Residue ILE 636 is missing expected H atoms. Skipping. Residue SER 638 is missing expected H atoms. Skipping. Residue ILE 639 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue SER 641 is missing expected H atoms. Skipping. Residue LYS 645 is missing expected H atoms. Skipping. Residue ILE 646 is missing expected H atoms. Skipping. Residue LYS 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue THR 649 is missing expected H atoms. Skipping. Residue ILE 651 is missing expected H atoms. Skipping. Residue LYS 655 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue ILE 662 is missing expected H atoms. Skipping. Residue VAL 668 is missing expected H atoms. Skipping. Residue SER 670 is missing expected H atoms. Skipping. Residue LEU 671 is missing expected H atoms. Skipping. Residue SER 672 is missing expected H atoms. Skipping. Residue THR 673 is missing expected H atoms. Skipping. Residue ILE 675 is missing expected H atoms. Skipping. Residue ILE 679 is missing expected H atoms. Skipping. Residue LEU 681 is missing expected H atoms. Skipping. Residue LYS 683 is missing expected H atoms. Skipping. Residue ILE 686 is missing expected H atoms. Skipping. Residue SER 687 is missing expected H atoms. Skipping. Residue LYS 689 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue ILE 691 is missing expected H atoms. Skipping. Residue ILE 693 is missing expected H atoms. Skipping. Residue LEU 695 is missing expected H atoms. Skipping. Residue LEU 696 is missing expected H atoms. Skipping. Residue MET 700 is missing expected H atoms. Skipping. Residue SER 702 is missing expected H atoms. Skipping. Residue TYR 703 is missing expected H atoms. Skipping. Residue SER 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue VAL 707 is missing expected H atoms. Skipping. Residue THR 710 is missing expected H atoms. Skipping. Residue TYR 711 is missing expected H atoms. Skipping. Residue LYS 714 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue LEU 716 is missing expected H atoms. Skipping. Residue LEU 717 is missing expected H atoms. Skipping. Residue LYS 718 is missing expected H atoms. Skipping. Residue VAL 719 is missing expected H atoms. Skipping. Residue LYS 720 is missing expected H atoms. Skipping. Residue LYS 722 is missing expected H atoms. Skipping. Residue ILE 723 is missing expected H atoms. Skipping. Residue SER 724 is missing expected H atoms. Skipping. Residue LEU 726 is missing expected H atoms. Skipping. Residue MET 727 is missing expected H atoms. Skipping. Residue SER 729 is missing expected H atoms. Skipping. Residue ILE 730 is missing expected H atoms. Skipping. Residue SER 731 is missing expected H atoms. Skipping. Residue SER 734 is missing expected H atoms. Skipping. Residue ILE 735 is missing expected H atoms. Skipping. Residue ILE 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue SER 738 is missing expected H atoms. Skipping. Residue TYR 742 is missing expected H atoms. Skipping. Residue VAL 744 is missing expected H atoms. Skipping. Residue ILE 746 is missing expected H atoms. Skipping. Residue SER 748 is missing expected H atoms. Skipping. Residue LEU 754 is missing expected H atoms. Skipping. Residue LEU 755 is missing expected H atoms. Skipping. Residue SER 758 is missing expected H atoms. Skipping. Residue ILE 762 is missing expected H atoms. Skipping. Residue LYS 764 is missing expected H atoms. Skipping. Residue SER 767 is missing expected H atoms. Skipping. Residue ILE 768 is missing expected H atoms. Skipping. Residue ILE 769 is missing expected H atoms. Skipping. Residue LYS 770 is missing expected H atoms. Skipping. Residue ILE 772 is missing expected H atoms. Skipping. Residue SER 773 is missing expected H atoms. Skipping. Residue SER 774 is missing expected H atoms. Skipping. Residue LYS 775 is missing expected H atoms. Skipping. Residue TYR 777 is missing expected H atoms. Skipping. Residue ILE 778 is missing expected H atoms. Skipping. Residue SER 779 is missing expected H atoms. Skipping. Residue LYS 783 is missing expected H atoms. Skipping. Residue LYS 786 is missing expected H atoms. Skipping. Residue ILE 787 is missing expected H atoms. Skipping. Residue THR 788 is missing expected H atoms. Skipping. Residue VAL 789 is missing expected H atoms. Skipping. Residue LYS 790 is missing expected H atoms. Skipping. Residue SER 791 is missing expected H atoms. Skipping. Residue LYS 792 is missing expected H atoms. Skipping. Residue LEU 794 is missing expected H atoms. Skipping. Residue LEU 797 is missing expected H atoms. Skipping. Residue SER 798 is missing expected H atoms. Skipping. Residue THR 799 is missing expected H atoms. Skipping. Residue LEU 800 is missing expected H atoms. Skipping. Residue LEU 801 is missing expected H atoms. Skipping. Residue ILE 804 is missing expected H atoms. Skipping. Residue SER 808 is missing expected H atoms. Skipping. Residue SER 810 is missing expected H atoms. Skipping. Residue SER 811 is missing expected H atoms. Skipping. Residue ILE 813 is missing expected H atoms. Skipping. Residue LEU 815 is missing expected H atoms. Skipping. Residue LYS 818 is missing expected H atoms. Skipping. Residue VAL 819 is missing expected H atoms. Skipping. Residue MET 820 is missing expected H atoms. Skipping. Residue LEU 821 is missing expected H atoms. Skipping. Residue THR 822 is missing expected H atoms. Skipping. Residue ILE 826 is missing expected H atoms. Skipping. Residue VAL 828 is missing expected H atoms. Skipping. Residue ILE 829 is missing expected H atoms. Skipping. Residue SER 830 is missing expected H atoms. Skipping. Residue ILE 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ILE 836 is missing expected H atoms. Skipping. Residue VAL 837 is missing expected H atoms. Skipping. Residue ILE 841 is missing expected H atoms. Skipping. Residue LYS 845 is missing expected H atoms. Skipping. Residue LEU 847 is missing expected H atoms. Skipping. Residue THR 848 is missing expected H atoms. Skipping. Residue SER 849 is missing expected H atoms. Skipping. Residue SER 851 is missing expected H atoms. Skipping. Residue ILE 852 is missing expected H atoms. Skipping. Residue TYR 854 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue LYS 856 is missing expected H atoms. Skipping. Residue LYS 860 is missing expected H atoms. Skipping. Residue LEU 861 is missing expected H atoms. Skipping. Residue ILE 862 is missing expected H atoms. Skipping. Residue SER 864 is missing expected H atoms. Skipping. Residue ILE 865 is missing expected H atoms. Skipping. Residue SER 866 is missing expected H atoms. Skipping. Residue LEU 869 is missing expected H atoms. Skipping. Residue LEU 872 is missing expected H atoms. Skipping. Residue LYS 873 is missing expected H atoms. Skipping. Residue LEU 878 is missing expected H atoms. Skipping. Residue SER 881 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue SER 885 is missing expected H atoms. Skipping. Residue ILE 889 is missing expected H atoms. Skipping. Residue SER 890 is missing expected H atoms. Skipping. Residue THR 892 is missing expected H atoms. Skipping. Residue SER 897 is missing expected H atoms. Skipping. Residue ILE 898 is missing expected H atoms. Skipping. Residue ILE 901 is missing expected H atoms. Skipping. Residue LYS 903 is missing expected H atoms. Skipping. Residue THR 905 is missing expected H atoms. Skipping. Residue SER 908 is missing expected H atoms. Skipping. Residue ILE 909 is missing expected H atoms. Skipping. Residue VAL 911 is missing expected H atoms. Skipping. Residue THR 913 is missing expected H atoms. Skipping. Residue LYS 915 is missing expected H atoms. Skipping. Residue THR 916 is missing expected H atoms. Skipping. Residue ILE 917 is missing expected H atoms. Skipping. Residue SER 919 is missing expected H atoms. Skipping. Residue TYR 921 is missing expected H atoms. Skipping. Residue ILE 925 is missing expected H atoms. Skipping. Residue THR 926 is missing expected H atoms. Skipping. Residue ILE 929 is missing expected H atoms. Skipping. Residue SER 930 is missing expected H atoms. Skipping. Residue LYS 931 is missing expected H atoms. Skipping. Residue ILE 932 is missing expected H atoms. Skipping. Residue LYS 933 is missing expected H atoms. Skipping. Residue THR 935 is missing expected H atoms. Skipping. Residue ILE 936 is missing expected H atoms. Skipping. Residue THR 939 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue LYS 943 is missing expected H atoms. Skipping. Residue LEU 944 is missing expected H atoms. Skipping. Residue VAL 945 is missing expected H atoms. Skipping. Residue LYS 946 is missing expected H atoms. Skipping. Residue LYS 947 is missing expected H atoms. Skipping. Residue VAL 948 is missing expected H atoms. Skipping. Residue LEU 950 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue THR 953 is missing expected H atoms. Skipping. Residue VAL 956 is missing expected H atoms. Skipping. Residue THR 958 is missing expected H atoms. Skipping. Residue LEU 959 is missing expected H atoms. Skipping. Residue ILE 965 is missing expected H atoms. Skipping. Residue SER 967 is missing expected H atoms. Skipping. Residue LEU 968 is missing expected H atoms. Skipping. Residue ILE 969 is missing expected H atoms. Skipping. Residue TYR 971 is missing expected H atoms. Skipping. Residue SER 973 is missing expected H atoms. Skipping. Residue SER 974 is missing expected H atoms. Skipping. Residue LYS 975 is missing expected H atoms. Skipping. Residue SER 977 is missing expected H atoms. Skipping. Residue LEU 978 is missing expected H atoms. Skipping. Residue SER 979 is missing expected H atoms. Skipping. Residue LEU 981 is missing expected H atoms. Skipping. Residue SER 982 is missing expected H atoms. Skipping. Residue VAL 983 is missing expected H atoms. Skipping. Residue MET 985 is missing expected H atoms. Skipping. Residue LYS 986 is missing expected H atoms. Skipping. Residue VAL 987 is missing expected H atoms. Skipping. Residue VAL 989 is missing expected H atoms. Skipping. Residue TYR 990 is missing expected H atoms. Skipping. Residue LEU 993 is missing expected H atoms. Skipping. Residue SER 995 is missing expected H atoms. Skipping. Residue THR 996 is missing expected H atoms. Skipping. Residue LEU 998 is missing expected H atoms. Skipping. Residue THR 1000 is missing expected H atoms. Skipping. Residue ILE 1001 is missing expected H atoms. Skipping. Residue THR 1002 is missing expected H atoms. Skipping. Residue LYS 1006 is missing expected H atoms. Skipping. Residue VAL 1007 is missing expected H atoms. Skipping. Residue VAL 1008 is missing expected H atoms. Skipping. Residue LEU 1010 is missing expected H atoms. Skipping. Residue VAL 1011 is missing expected H atoms. Skipping. Residue SER 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue LEU 1015 is missing expected H atoms. Skipping. Residue THR 1018 is missing expected H atoms. Skipping. Residue ILE 1019 is missing expected H atoms. Skipping. Residue LEU 1021 is missing expected H atoms. Skipping. Residue LEU 1022 is missing expected H atoms. Skipping. Residue THR 1024 is missing expected H atoms. Skipping. Residue LEU 1025 is missing expected H atoms. Skipping. Residue SER 1026 is missing expected H atoms. Skipping. Residue LEU 1029 is missing expected H atoms. Skipping. Residue ILE 1031 is missing expected H atoms. Skipping. Residue ILE 1032 is missing expected H atoms. Skipping. Residue THR 1034 is missing expected H atoms. Skipping. Residue ILE 1035 is missing expected H atoms. Skipping. Residue ILE 1036 is missing expected H atoms. Skipping. Residue VAL 1039 is missing expected H atoms. Skipping. Residue SER 1040 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ILE 1045 is missing expected H atoms. Skipping. Residue LYS 1046 is missing expected H atoms. Skipping. Residue LEU 1048 is missing expected H atoms. Skipping. Residue SER 1049 is missing expected H atoms. Skipping. Residue THR 1051 is missing expected H atoms. Skipping. Residue SER 1052 is missing expected H atoms. Skipping. Residue LEU 1055 is missing expected H atoms. Skipping. Residue LEU 1056 is missing expected H atoms. Skipping. Residue ILE 1060 is missing expected H atoms. Skipping. Residue LYS 1063 is missing expected H atoms. Skipping. Residue ILE 1064 is missing expected H atoms. Skipping. Residue ILE 1066 is missing expected H atoms. Skipping. Residue MET 1067 is missing expected H atoms. Skipping. Residue VAL 1069 is missing expected H atoms. Skipping. Residue LEU 1071 is missing expected H atoms. Skipping. Residue THR 1072 is missing expected H atoms. Skipping. Residue THR 1073 is missing expected H atoms. Skipping. Residue THR 1075 is missing expected H atoms. Skipping. Residue THR 1076 is missing expected H atoms. Skipping. Residue ILE 1078 is missing expected H atoms. Skipping. Residue ILE 1079 is missing expected H atoms. Skipping. Residue THR 1080 is missing expected H atoms. Skipping. Residue SER 1081 is missing expected H atoms. Skipping. Residue SER 1082 is missing expected H atoms. Skipping. Residue LEU 1083 is missing expected H atoms. Skipping. Residue ILE 1085 is missing expected H atoms. Skipping. Residue SER 1087 is missing expected H atoms. Skipping. Residue SER 1090 is missing expected H atoms. Skipping. Residue ILE 1091 is missing expected H atoms. Skipping. Residue LEU 1092 is missing expected H atoms. Skipping. Residue LEU 1093 is missing expected H atoms. Skipping. Residue VAL 1094 is missing expected H atoms. Skipping. Residue VAL 1127 is missing expected H atoms. Skipping. Residue SER 1128 is missing expected H atoms. Skipping. Residue LEU 1129 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue THR 1132 is missing expected H atoms. Skipping. Residue VAL 1135 is missing expected H atoms. Skipping. Residue THR 1137 is missing expected H atoms. Skipping. Residue LEU 1138 is missing expected H atoms. Skipping. Residue LEU 1139 is missing expected H atoms. Skipping. Residue LYS 1142 is missing expected H atoms. Skipping. Residue ILE 1143 is missing expected H atoms. Skipping. Residue MET 1144 is missing expected H atoms. Skipping. Residue MET 1145 is missing expected H atoms. Skipping. Residue LEU 1150 is missing expected H atoms. Skipping. Residue VAL 1151 is missing expected H atoms. Skipping. Residue ILE 1152 is missing expected H atoms. Skipping. Residue SER 1153 is missing expected H atoms. Skipping. Residue ILE 1155 is missing expected H atoms. Skipping. Residue SER 1161 is missing expected H atoms. Skipping. Residue ILE 1162 is missing expected H atoms. Skipping. Residue VAL 1163 is missing expected H atoms. Skipping. Residue LEU 1164 is missing expected H atoms. Skipping. Residue LYS 1166 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue SER 1201 is missing expected H atoms. Skipping. Residue ILE 1202 is missing expected H atoms. Skipping. Residue TYR 1203 is missing expected H atoms. Skipping. Residue VAL 1205 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1208 is missing expected H atoms. Skipping. Residue LYS 1210 is missing expected H atoms. Skipping. Residue LEU 1213 is missing expected H atoms. Skipping. Residue LEU 1215 is missing expected H atoms. Skipping. Residue SER 1216 is missing expected H atoms. Skipping. Residue LYS 1217 is missing expected H atoms. Skipping. Residue LEU 1219 is missing expected H atoms. Skipping. Residue MET 1220 is missing expected H atoms. Skipping. Residue VAL 1221 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue TYR 1282 is missing expected H atoms. Skipping. Residue THR 1285 is missing expected H atoms. Skipping. Residue ILE 1287 is missing expected H atoms. Skipping. Residue ILE 1289 is missing expected H atoms. Skipping. Residue LEU 1291 is missing expected H atoms. Skipping. Residue SER 1293 is missing expected H atoms. Skipping. Residue THR 1295 is missing expected H atoms. Skipping. Residue SER 1297 is missing expected H atoms. Skipping. Residue ILE 1299 is missing expected H atoms. Skipping. Residue VAL 1300 is missing expected H atoms. Skipping. Residue ILE 1302 is missing expected H atoms. Skipping. Residue ILE 1303 is missing expected H atoms. Skipping. Residue THR 1304 is missing expected H atoms. Skipping. Residue THR 1305 is missing expected H atoms. Skipping. Residue TYR 1307 is missing expected H atoms. Skipping. Residue ILE 1308 is missing expected H atoms. Skipping. Residue LYS 1311 is missing expected H atoms. Skipping. Residue LEU 1312 is missing expected H atoms. Skipping. Residue SER 1313 is missing expected H atoms. Skipping. Residue TYR 1314 is missing expected H atoms. Skipping. Residue SER 1315 is missing expected H atoms. Skipping. Residue TYR 1317 is missing expected H atoms. Skipping. Residue SER 1319 is missing expected H atoms. Skipping. Residue THR 1322 is missing expected H atoms. Skipping. Residue TYR 1323 is missing expected H atoms. Skipping. Residue LEU 1325 is missing expected H atoms. Skipping. Residue SER 1326 is missing expected H atoms. Skipping. Residue LEU 1327 is missing expected H atoms. Skipping. Residue SER 1328 is missing expected H atoms. Skipping. Residue TYR 1330 is missing expected H atoms. Skipping. Residue MET 1332 is missing expected H atoms. Skipping. Residue ILE 1334 is missing expected H atoms. Skipping. Residue ILE 1336 is missing expected H atoms. Skipping. Residue LEU 1338 is missing expected H atoms. Skipping. Residue SER 1339 is missing expected H atoms. Skipping. Residue SER 1341 is missing expected H atoms. Skipping. Residue VAL 1343 is missing expected H atoms. Skipping. Residue ILE 1345 is missing expected H atoms. Skipping. Residue ILE 1346 is missing expected H atoms. Skipping. Residue VAL 1348 is missing expected H atoms. Skipping. Residue VAL 1351 is missing expected H atoms. Skipping. Residue VAL 1352 is missing expected H atoms. Skipping. Residue SER 1373 is missing expected H atoms. Skipping. Residue THR 1374 is missing expected H atoms. Skipping. Residue LEU 1375 is missing expected H atoms. Skipping. Residue SER 1376 is missing expected H atoms. Skipping. Residue ILE 1377 is missing expected H atoms. Skipping. Residue LYS 1381 is missing expected H atoms. Skipping. Residue ILE 1382 is missing expected H atoms. Skipping. Residue ILE 1383 is missing expected H atoms. Skipping. Residue LEU 1384 is missing expected H atoms. Skipping. Residue SER 1386 is missing expected H atoms. Skipping. Residue ILE 1389 is missing expected H atoms. Skipping. Residue SER 1392 is missing expected H atoms. Skipping. Residue VAL 1395 is missing expected H atoms. Skipping. Residue SER 1398 is missing expected H atoms. Skipping. Residue VAL 1402 is missing expected H atoms. Skipping. Residue SER 1403 is missing expected H atoms. Skipping. Residue LEU 1404 is missing expected H atoms. Skipping. Residue THR 1405 is missing expected H atoms. Skipping. Residue SER 1407 is missing expected H atoms. Skipping. Residue ILE 1408 is missing expected H atoms. Skipping. Residue LEU 1409 is missing expected H atoms. Skipping. Residue ILE 1412 is missing expected H atoms. Skipping. Residue ILE 1415 is missing expected H atoms. Skipping. Residue ILE 1416 is missing expected H atoms. Skipping. Residue VAL 1418 is missing expected H atoms. Skipping. Residue LEU 1420 is missing expected H atoms. Skipping. Residue LEU 1421 is missing expected H atoms. Skipping. Residue SER 1422 is missing expected H atoms. Skipping. Residue LYS 1423 is missing expected H atoms. Skipping. Residue SER 1424 is missing expected H atoms. Skipping. Residue TYR 1425 is missing expected H atoms. Skipping. Residue LYS 1426 is missing expected H atoms. Skipping. Residue LEU 1427 is missing expected H atoms. Skipping. Residue LEU 1428 is missing expected H atoms. Skipping. Residue ILE 1429 is missing expected H atoms. Skipping. Residue SER 1430 is missing expected H atoms. Skipping. Residue SER 1454 is missing expected H atoms. Skipping. Residue LEU 1456 is missing expected H atoms. Skipping. Residue LYS 1458 is missing expected H atoms. Skipping. Residue ILE 1460 is missing expected H atoms. Skipping. Residue TYR 1462 is missing expected H atoms. Skipping. Residue SER 1463 is missing expected H atoms. Skipping. Residue VAL 1465 is missing expected H atoms. Skipping. Residue SER 1467 is missing expected H atoms. Skipping. Residue LYS 1470 is missing expected H atoms. Skipping. Residue ILE 1475 is missing expected H atoms. Skipping. Residue SER 1478 is missing expected H atoms. Skipping. Residue THR 1479 is missing expected H atoms. Skipping. Residue LYS 1480 is missing expected H atoms. Skipping. Residue LEU 1483 is missing expected H atoms. Skipping. Residue VAL 1485 is missing expected H atoms. Skipping. Residue SER 1486 is missing expected H atoms. Skipping. Residue LEU 1488 is missing expected H atoms. Skipping. Residue VAL 1491 is missing expected H atoms. Skipping. Residue VAL 1492 is missing expected H atoms. Skipping. Residue LEU 1493 is missing expected H atoms. Skipping. Residue ILE 1494 is missing expected H atoms. Skipping. Residue SER 1495 is missing expected H atoms. Skipping. Residue LYS 1496 is missing expected H atoms. Skipping. Residue VAL 1497 is missing expected H atoms. Skipping. Residue TYR 1498 is missing expected H atoms. Skipping. Residue MET 1499 is missing expected H atoms. Skipping. Residue SER 1502 is missing expected H atoms. Skipping. Residue LYS 1503 is missing expected H atoms. Skipping. Residue SER 1505 is missing expected H atoms. Skipping. Residue TYR 1508 is missing expected H atoms. Skipping. Residue TYR 1509 is missing expected H atoms. Skipping. Residue SER 1510 is missing expected H atoms. Skipping. Residue LEU 1513 is missing expected H atoms. Skipping. Residue LYS 1514 is missing expected H atoms. Skipping. Residue VAL 1516 is missing expected H atoms. Skipping. Residue LYS 1517 is missing expected H atoms. Skipping. Residue VAL 1518 is missing expected H atoms. Skipping. Residue ILE 1519 is missing expected H atoms. Skipping. Residue THR 1520 is missing expected H atoms. Skipping. Residue LYS 1521 is missing expected H atoms. Skipping. Residue VAL 1524 is missing expected H atoms. Skipping. Residue ILE 1526 is missing expected H atoms. Skipping. Residue LEU 1527 is missing expected H atoms. Skipping. Residue THR 1528 is missing expected H atoms. Skipping. Residue TYR 1530 is missing expected H atoms. Skipping. Residue TYR 1531 is missing expected H atoms. Skipping. Residue LEU 1532 is missing expected H atoms. Skipping. Residue LYS 1533 is missing expected H atoms. Skipping. Residue ILE 1536 is missing expected H atoms. Skipping. Residue LYS 1537 is missing expected H atoms. Skipping. Residue ILE 1538 is missing expected H atoms. Skipping. Residue SER 1539 is missing expected H atoms. Skipping. Residue LEU 1540 is missing expected H atoms. Skipping. Residue SER 1541 is missing expected H atoms. Skipping. Residue LEU 1542 is missing expected H atoms. Skipping. Residue THR 1543 is missing expected H atoms. Skipping. Residue LEU 1544 is missing expected H atoms. Skipping. Residue LYS 1548 is missing expected H atoms. Skipping. Residue THR 1549 is missing expected H atoms. Skipping. Residue ILE 1550 is missing expected H atoms. Skipping. Residue LYS 1551 is missing expected H atoms. Skipping. Residue LEU 1552 is missing expected H atoms. Skipping. Residue SER 1554 is missing expected H atoms. Skipping. Residue VAL 1555 is missing expected H atoms. Skipping. Residue LEU 1557 is missing expected H atoms. Skipping. Residue SER 1560 is missing expected H atoms. Skipping. Residue VAL 1562 is missing expected H atoms. Skipping. Residue ILE 1565 is missing expected H atoms. Skipping. Residue LEU 1566 is missing expected H atoms. Skipping. Residue LYS 1567 is missing expected H atoms. Skipping. Residue MET 1569 is missing expected H atoms. Skipping. Residue LYS 1572 is missing expected H atoms. Skipping. Residue THR 1575 is missing expected H atoms. Skipping. Residue THR 1577 is missing expected H atoms. Skipping. Residue SER 1578 is missing expected H atoms. Skipping. Residue SER 1580 is missing expected H atoms. Skipping. Residue LEU 1581 is missing expected H atoms. Skipping. Residue MET 1582 is missing expected H atoms. Skipping. Residue SER 1583 is missing expected H atoms. Skipping. Residue LEU 1585 is missing expected H atoms. Skipping. Residue SER 1587 is missing expected H atoms. Skipping. Residue MET 1588 is missing expected H atoms. Skipping. Residue ILE 1590 is missing expected H atoms. Skipping. Residue LYS 1591 is missing expected H atoms. Skipping. Residue SER 1592 is missing expected H atoms. Skipping. Residue ILE 1593 is missing expected H atoms. Skipping. Residue VAL 1595 is missing expected H atoms. Skipping. Residue LEU 1598 is missing expected H atoms. Skipping. Residue SER 1600 is missing expected H atoms. Skipping. Residue ILE 1602 is missing expected H atoms. Skipping. Residue LYS 1603 is missing expected H atoms. Skipping. Residue ILE 1605 is missing expected H atoms. Skipping. Residue LEU 1606 is missing expected H atoms. Skipping. Residue ILE 1611 is missing expected H atoms. Skipping. Residue ILE 1612 is missing expected H atoms. Skipping. Residue SER 1613 is missing expected H atoms. Skipping. Residue THR 1615 is missing expected H atoms. Skipping. Residue THR 1616 is missing expected H atoms. Skipping. Residue SER 1617 is missing expected H atoms. Skipping. Residue ILE 1618 is missing expected H atoms. Skipping. Residue ILE 1624 is missing expected H atoms. Skipping. Residue ILE 1631 is missing expected H atoms. Skipping. Residue TYR 1634 is missing expected H atoms. Skipping. Residue ILE 1636 is missing expected H atoms. Skipping. Residue LYS 1637 is missing expected H atoms. Skipping. Residue THR 1640 is missing expected H atoms. Skipping. Residue LEU 1641 is missing expected H atoms. Skipping. Residue THR 1643 is missing expected H atoms. Skipping. Residue TYR 1645 is missing expected H atoms. Skipping. Residue THR 1646 is missing expected H atoms. Skipping. Residue LEU 1647 is missing expected H atoms. Skipping. Residue TYR 1648 is missing expected H atoms. Skipping. Residue VAL 1649 is missing expected H atoms. Skipping. Residue MET 1655 is missing expected H atoms. Skipping. Residue ILE 1656 is missing expected H atoms. Skipping. Residue VAL 1657 is missing expected H atoms. Skipping. Residue TYR 1661 is missing expected H atoms. Skipping. Residue LEU 1663 is missing expected H atoms. Skipping. Residue SER 1666 is missing expected H atoms. Skipping. Residue ILE 1669 is missing expected H atoms. Skipping. Residue SER 1670 is missing expected H atoms. Skipping. Residue SER 1671 is missing expected H atoms. Skipping. Residue THR 1672 is missing expected H atoms. Skipping. Residue VAL 1673 is missing expected H atoms. Skipping. Residue ILE 1674 is missing expected H atoms. Skipping. Residue SER 1677 is missing expected H atoms. Skipping. Residue LYS 1679 is missing expected H atoms. Skipping. Residue TYR 1680 is missing expected H atoms. Skipping. Residue LEU 1681 is missing expected H atoms. Skipping. Residue TYR 1682 is missing expected H atoms. Skipping. Residue ILE 1684 is missing expected H atoms. Skipping. Residue SER 1686 is missing expected H atoms. Skipping. Residue VAL 1688 is missing expected H atoms. Skipping. Residue LYS 1690 is missing expected H atoms. Skipping. Residue VAL 1691 is missing expected H atoms. Skipping. Residue VAL 1692 is missing expected H atoms. Skipping. Residue ILE 1693 is missing expected H atoms. Skipping. Residue SER 1694 is missing expected H atoms. Skipping. Residue ILE 1697 is missing expected H atoms. Skipping. Residue TYR 1698 is missing expected H atoms. Skipping. Residue THR 1699 is missing expected H atoms. Skipping. Residue ILE 1702 is missing expected H atoms. Skipping. Residue ILE 1704 is missing expected H atoms. Skipping. Residue THR 1705 is missing expected H atoms. Skipping. Residue VAL 1707 is missing expected H atoms. Skipping. Residue TYR 1708 is missing expected H atoms. Skipping. Residue THR 1710 is missing expected H atoms. Skipping. Residue THR 1713 is missing expected H atoms. Skipping. Residue TYR 1714 is missing expected H atoms. Skipping. Residue VAL 1717 is missing expected H atoms. Skipping. Residue ILE 1718 is missing expected H atoms. Skipping. Residue VAL 1719 is missing expected H atoms. Skipping. Residue LEU 1720 is missing expected H atoms. Skipping. Residue TYR 1724 is missing expected H atoms. Skipping. Residue ILE 1725 is missing expected H atoms. Skipping. Residue LYS 1728 is missing expected H atoms. Skipping. Residue ILE 1729 is missing expected H atoms. Skipping. Residue VAL 1731 is missing expected H atoms. Skipping. Residue ILE 1733 is missing expected H atoms. Skipping. Residue LEU 1736 is missing expected H atoms. Skipping. Residue SER 1737 is missing expected H atoms. Skipping. Residue ILE 1738 is missing expected H atoms. Skipping. Residue TYR 1740 is missing expected H atoms. Skipping. Residue VAL 1741 is missing expected H atoms. Skipping. Residue SER 1743 is missing expected H atoms. Skipping. Residue ILE 1750 is missing expected H atoms. Skipping. Residue LEU 1751 is missing expected H atoms. Skipping. Residue MET 1752 is missing expected H atoms. Skipping. Residue SER 1753 is missing expected H atoms. Skipping. Residue THR 1754 is missing expected H atoms. Skipping. Residue SER 1755 is missing expected H atoms. Skipping. Residue LYS 1759 is missing expected H atoms. Skipping. Residue VAL 1760 is missing expected H atoms. Skipping. Residue SER 1761 is missing expected H atoms. Skipping. Residue VAL 1763 is missing expected H atoms. Skipping. Residue LYS 1764 is missing expected H atoms. Skipping. Residue ILE 1765 is missing expected H atoms. Skipping. Residue VAL 1768 is missing expected H atoms. Skipping. Residue VAL 1770 is missing expected H atoms. Skipping. Residue LYS 1772 is missing expected H atoms. Skipping. Residue LYS 1774 is missing expected H atoms. Skipping. Residue THR 1775 is missing expected H atoms. Skipping. Residue LEU 1776 is missing expected H atoms. Skipping. Residue LYS 1779 is missing expected H atoms. Skipping. Residue LEU 1780 is missing expected H atoms. Skipping. Residue SER 1781 is missing expected H atoms. Skipping. Residue SER 1785 is missing expected H atoms. Skipping. Residue LYS 1787 is missing expected H atoms. Skipping. Residue VAL 1790 is missing expected H atoms. Skipping. Residue VAL 1792 is missing expected H atoms. Skipping. Residue SER 1793 is missing expected H atoms. Skipping. Residue ILE 1795 is missing expected H atoms. Skipping. Residue ILE 1796 is missing expected H atoms. Skipping. Residue LEU 1797 is missing expected H atoms. Skipping. Residue SER 1798 is missing expected H atoms. Skipping. Residue THR 1800 is missing expected H atoms. Skipping. Residue SER 1802 is missing expected H atoms. Skipping. Residue TYR 1803 is missing expected H atoms. Skipping. Residue TYR 1804 is missing expected H atoms. Skipping. Residue LEU 1808 is missing expected H atoms. Skipping. Residue ILE 1809 is missing expected H atoms. Skipping. Residue TYR 1811 is missing expected H atoms. Skipping. Residue LEU 1813 is missing expected H atoms. Skipping. Residue LEU 1815 is missing expected H atoms. Skipping. Residue VAL 1816 is missing expected H atoms. Skipping. Residue SER 1817 is missing expected H atoms. Skipping. Residue LEU 1818 is missing expected H atoms. Skipping. Residue TYR 1819 is missing expected H atoms. Skipping. Residue LYS 1822 is missing expected H atoms. Skipping. Residue TYR 1824 is missing expected H atoms. Skipping. Residue ILE 1825 is missing expected H atoms. Skipping. Residue MET 1830 is missing expected H atoms. Skipping. Residue MET 1831 is missing expected H atoms. Skipping. Residue VAL 1832 is missing expected H atoms. Skipping. Residue SER 1833 is missing expected H atoms. Skipping. Residue LEU 1835 is missing expected H atoms. Skipping. Residue ILE 1836 is missing expected H atoms. Skipping. Residue TYR 1837 is missing expected H atoms. Skipping. Residue ILE 1838 is missing expected H atoms. Skipping. Residue SER 1841 is missing expected H atoms. Skipping. Residue LEU 1842 is missing expected H atoms. Skipping. Residue TYR 1843 is missing expected H atoms. Skipping. Residue TYR 1844 is missing expected H atoms. Skipping. Residue LYS 1846 is missing expected H atoms. Skipping. Residue VAL 1849 is missing expected H atoms. Skipping. Residue LEU 1852 is missing expected H atoms. Skipping. Residue ILE 1853 is missing expected H atoms. Skipping. Residue THR 1854 is missing expected H atoms. Skipping. Residue VAL 1857 is missing expected H atoms. Skipping. Residue THR 1858 is missing expected H atoms. Skipping. Residue VAL 1859 is missing expected H atoms. Skipping. Residue LYS 1863 is missing expected H atoms. Skipping. Residue TYR 1864 is missing expected H atoms. Skipping. Residue TYR 1865 is missing expected H atoms. Skipping. Residue ILE 1869 is missing expected H atoms. Skipping. Residue SER 1875 is missing expected H atoms. Skipping. Residue ILE 1876 is missing expected H atoms. Skipping. Residue THR 1879 is missing expected H atoms. Skipping. Residue ILE 1880 is missing expected H atoms. Skipping. Residue ILE 1881 is missing expected H atoms. Skipping. Residue LYS 1884 is missing expected H atoms. Skipping. Residue TYR 1886 is missing expected H atoms. Skipping. Residue TYR 1887 is missing expected H atoms. Skipping. Residue SER 1891 is missing expected H atoms. Skipping. Residue VAL 1893 is missing expected H atoms. Skipping. Residue LEU 1894 is missing expected H atoms. Skipping. Residue THR 1896 is missing expected H atoms. Skipping. Residue VAL 1898 is missing expected H atoms. Skipping. Residue SER 1900 is missing expected H atoms. Skipping. Residue THR 1901 is missing expected H atoms. Skipping. Residue LYS 1906 is missing expected H atoms. Skipping. Residue TYR 1907 is missing expected H atoms. Skipping. Residue THR 1913 is missing expected H atoms. Skipping. Residue LEU 1914 is missing expected H atoms. Skipping. Residue LEU 1918 is missing expected H atoms. Skipping. Residue ILE 1923 is missing expected H atoms. Skipping. Residue THR 1926 is missing expected H atoms. Skipping. Residue LYS 1928 is missing expected H atoms. Skipping. Residue LEU 1929 is missing expected H atoms. Skipping. Residue ILE 1930 is missing expected H atoms. Skipping. Residue ILE 1931 is missing expected H atoms. Skipping. Residue ILE 1935 is missing expected H atoms. Skipping. Residue TYR 1936 is missing expected H atoms. Skipping. Residue TYR 1937 is missing expected H atoms. Skipping. Residue TYR 1942 is missing expected H atoms. Skipping. Residue VAL 1946 is missing expected H atoms. Skipping. Residue LYS 1949 is missing expected H atoms. Skipping. Residue LEU 1951 is missing expected H atoms. Skipping. Residue MET 1955 is missing expected H atoms. Skipping. Residue TYR 1957 is missing expected H atoms. Skipping. Residue SER 1959 is missing expected H atoms. Skipping. Residue THR 1962 is missing expected H atoms. Skipping. Residue LYS 1964 is missing expected H atoms. Skipping. Residue LYS 1967 is missing expected H atoms. Skipping. Residue LEU 1969 is missing expected H atoms. Skipping. Residue ILE 1972 is missing expected H atoms. Skipping. Residue TYR 1975 is missing expected H atoms. Skipping. Residue LYS 1976 is missing expected H atoms. Skipping. Residue TYR 1977 is missing expected H atoms. Skipping. Residue TYR 1978 is missing expected H atoms. Skipping. Residue SER 1981 is missing expected H atoms. Skipping. Residue VAL 1984 is missing expected H atoms. Skipping. Residue MET 1985 is missing expected H atoms. Skipping. Residue LYS 1987 is missing expected H atoms. Skipping. Residue VAL 1990 is missing expected H atoms. Skipping. Residue TYR 1998 is missing expected H atoms. Skipping. Residue SER 2002 is missing expected H atoms. Skipping. Residue VAL 2004 is missing expected H atoms. Skipping. Residue MET 2005 is missing expected H atoms. Skipping. Residue LYS 2006 is missing expected H atoms. Skipping. Residue VAL 2007 is missing expected H atoms. Skipping. Residue TYR 2009 is missing expected H atoms. Skipping. Residue THR 2010 is missing expected H atoms. Skipping. Residue ILE 2012 is missing expected H atoms. Skipping. Residue LYS 2015 is missing expected H atoms. Skipping. Residue TYR 2018 is missing expected H atoms. Skipping. Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.317 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 40 average time/residue: 0.1482 time to fit residues: 12.8672 Evaluate side-chains 40 residues out of total 1758 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 40 time to evaluate : 1.226 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 164 optimal weight: 3.9990 chunk 136 optimal weight: 4.9990 chunk 112 optimal weight: 2.9990 chunk 32 optimal weight: 1.9990 chunk 116 optimal weight: 0.0170 chunk 129 optimal weight: 3.9990 chunk 69 optimal weight: 5.9990 chunk 119 optimal weight: 5.9990 chunk 131 optimal weight: 2.9990 chunk 159 optimal weight: 0.9990 chunk 101 optimal weight: 4.9990 overall best weight: 1.8026 ------------------------------------------------------------------------------- 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 = 0.4405 r_free = 0.4405 target = 0.188188 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 69)----------------| | r_work = 0.4093 r_free = 0.4093 target = 0.162790 restraints weight = 57757.935| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.4121 r_free = 0.4121 target = 0.165005 restraints weight = 47667.636| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 52)----------------| | r_work = 0.4148 r_free = 0.4148 target = 0.167047 restraints weight = 40760.473| |-----------------------------------------------------------------------------| r_work (final): 0.4127 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5628 moved from start: 0.4233 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.054 9670 Z= 0.286 Angle : 0.756 7.583 13505 Z= 0.442 Chirality : 0.046 0.172 1835 Planarity : 0.006 0.064 1963 Dihedral : 7.120 34.476 1919 Min Nonbonded Distance : 2.249 Molprobity Statistics. All-atom Clashscore : 14.32 Ramachandran Plot: Outliers : 1.62 % Allowed : 28.89 % Favored : 69.49 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.27 % Cis-general : 0.16 % Twisted Proline : 2.27 % Twisted General : 0.16 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.98 (0.17), residues: 1911 helix: -2.60 (0.23), residues: 361 sheet: -3.92 (0.47), residues: 75 loop : -3.82 (0.15), residues: 1475 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.000 0.000 TRP B 47 PHE 0.000 0.000 PHE B 23 TYR 0.000 0.000 TYR A 24 Details of bonding type rmsd hydrogen bonds : bond 0.05024 ( 296) hydrogen bonds : angle 8.15328 ( 699) covalent geometry : bond 0.00436 ( 9670) covalent geometry : angle 0.75577 (13505) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 4983.30 seconds wall clock time: 90 minutes 18.39 seconds (5418.39 seconds total)