Starting phenix.real_space_refine on Fri Dec 8 01:36:10 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.2 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eep_28054/12_2023/8eep_28054_updated.pdb" } resolution = 2.2 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= 0.019 sd= 0.171 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: 5 Type Number sf(0) Gaussians P 720 5.49 5 S 780 5.16 5 C 66240 2.51 5 N 18060 2.21 5 O 22260 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped None Time to flip residues: 0.18s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 108060 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL A 221 " pdbres="IHP A 401 " Not linked: pdbres="IHP A 401 " pdbres="IHP A 402 " Chain: "B" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL B 221 " pdbres="IHP B 401 " Not linked: pdbres="IHP B 401 " pdbres="IHP B 402 " Chain: "C" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL C 221 " pdbres="IHP C 401 " Not linked: pdbres="IHP C 401 " pdbres="IHP C 402 " Chain: "D" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL D 221 " pdbres="IHP D 401 " Not linked: pdbres="IHP D 401 " pdbres="IHP D 402 " Chain: "E" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL E 221 " pdbres="IHP E 401 " Not linked: pdbres="IHP E 401 " pdbres="IHP E 402 " Chain: "F" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL F 221 " pdbres="IHP F 401 " Not linked: pdbres="IHP F 401 " pdbres="IHP F 402 " Chain: "G" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL G 221 " pdbres="IHP G 401 " Not linked: pdbres="IHP G 401 " pdbres="IHP G 402 " Chain: "H" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL H 221 " pdbres="IHP H 401 " Not linked: pdbres="IHP H 401 " pdbres="IHP H 402 " Chain: "I" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL I 221 " pdbres="IHP I 401 " Not linked: pdbres="IHP I 401 " pdbres="IHP I 402 " Chain: "J" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL J 221 " pdbres="IHP J 401 " Not linked: pdbres="IHP J 401 " pdbres="IHP J 402 " Chain: "K" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL K 221 " pdbres="IHP K 401 " Not linked: pdbres="IHP K 401 " pdbres="IHP K 402 " Chain: "L" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL L 221 " pdbres="IHP L 401 " Not linked: pdbres="IHP L 401 " pdbres="IHP L 402 " Chain: "M" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL M 221 " pdbres="IHP M 401 " Not linked: pdbres="IHP M 401 " pdbres="IHP M 402 " Chain: "N" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL N 221 " pdbres="IHP N 401 " Not linked: pdbres="IHP N 401 " pdbres="IHP N 402 " Chain: "O" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL O 221 " pdbres="IHP O 401 " Not linked: pdbres="IHP O 401 " pdbres="IHP O 402 " Chain: "P" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL P 221 " pdbres="IHP P 401 " Not linked: pdbres="IHP P 401 " pdbres="IHP P 402 " Chain: "Q" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL Q 221 " pdbres="IHP Q 401 " Not linked: pdbres="IHP Q 401 " pdbres="IHP Q 402 " Chain: "R" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL R 221 " pdbres="IHP R 401 " Not linked: pdbres="IHP R 401 " pdbres="IHP R 402 " Chain: "S" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL S 221 " pdbres="IHP S 401 " Not linked: pdbres="IHP S 401 " pdbres="IHP S 402 " Chain: "T" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL T 221 " pdbres="IHP T 401 " Not linked: pdbres="IHP T 401 " pdbres="IHP T 402 " Chain: "U" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL U 221 " pdbres="IHP U 401 " Not linked: pdbres="IHP U 401 " pdbres="IHP U 402 " Chain: "V" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL V 221 " pdbres="IHP V 401 " Not linked: pdbres="IHP V 401 " pdbres="IHP V 402 " Chain: "W" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL W 221 " pdbres="IHP W 401 " Not linked: pdbres="IHP W 401 " pdbres="IHP W 402 " Chain: "X" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL X 221 " pdbres="IHP X 401 " Not linked: pdbres="IHP X 401 " pdbres="IHP X 402 " Chain: "Y" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL Y 221 " pdbres="IHP Y 401 " Not linked: pdbres="IHP Y 401 " pdbres="IHP Y 402 " Chain: "Z" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL Z 221 " pdbres="IHP Z 401 " Not linked: pdbres="IHP Z 401 " pdbres="IHP Z 402 " Chain: "0" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 0 221 " pdbres="IHP 0 401 " Not linked: pdbres="IHP 0 401 " pdbres="IHP 0 402 " Chain: "1" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 1 221 " pdbres="IHP 1 401 " Not linked: pdbres="IHP 1 401 " pdbres="IHP 1 402 " Chain: "2" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 2 221 " pdbres="IHP 2 401 " Not linked: pdbres="IHP 2 401 " pdbres="IHP 2 402 " Chain: "3" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 3 221 " pdbres="IHP 3 401 " Not linked: pdbres="IHP 3 401 " pdbres="IHP 3 402 " Chain: "4" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 4 221 " pdbres="IHP 4 401 " Not linked: pdbres="IHP 4 401 " pdbres="IHP 4 402 " Chain: "5" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 5 221 " pdbres="IHP 5 401 " Not linked: pdbres="IHP 5 401 " pdbres="IHP 5 402 " Chain: "6" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 6 221 " pdbres="IHP 6 401 " Not linked: pdbres="IHP 6 401 " pdbres="IHP 6 402 " Chain: "7" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 7 221 " pdbres="IHP 7 401 " Not linked: pdbres="IHP 7 401 " pdbres="IHP 7 402 " Chain: "8" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 8 221 " pdbres="IHP 8 401 " Not linked: pdbres="IHP 8 401 " pdbres="IHP 8 402 " Chain: "9" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL 9 221 " pdbres="IHP 9 401 " Not linked: pdbres="IHP 9 401 " pdbres="IHP 9 402 " Chain: "a" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL a 221 " pdbres="IHP a 401 " Not linked: pdbres="IHP a 401 " pdbres="IHP a 402 " Chain: "b" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL b 221 " pdbres="IHP b 401 " Not linked: pdbres="IHP b 401 " pdbres="IHP b 402 " Chain: "c" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL c 221 " pdbres="IHP c 401 " Not linked: pdbres="IHP c 401 " pdbres="IHP c 402 " Chain: "d" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL d 221 " pdbres="IHP d 401 " Not linked: pdbres="IHP d 401 " pdbres="IHP d 402 " Chain: "e" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL e 221 " pdbres="IHP e 401 " Not linked: pdbres="IHP e 401 " pdbres="IHP e 402 " Chain: "f" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL f 221 " pdbres="IHP f 401 " Not linked: pdbres="IHP f 401 " pdbres="IHP f 402 " Chain: "g" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL g 221 " pdbres="IHP g 401 " Not linked: pdbres="IHP g 401 " pdbres="IHP g 402 " Chain: "h" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL h 221 " pdbres="IHP h 401 " Not linked: pdbres="IHP h 401 " pdbres="IHP h 402 " Chain: "i" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL i 221 " pdbres="IHP i 401 " Not linked: pdbres="IHP i 401 " pdbres="IHP i 402 " Chain: "j" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL j 221 " pdbres="IHP j 401 " Not linked: pdbres="IHP j 401 " pdbres="IHP j 402 " Chain: "k" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL k 221 " pdbres="IHP k 401 " Not linked: pdbres="IHP k 401 " pdbres="IHP k 402 " Chain: "l" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL l 221 " pdbres="IHP l 401 " Not linked: pdbres="IHP l 401 " pdbres="IHP l 402 " Chain: "m" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL m 221 " pdbres="IHP m 401 " Not linked: pdbres="IHP m 401 " pdbres="IHP m 402 " Chain: "n" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL n 221 " pdbres="IHP n 401 " Not linked: pdbres="IHP n 401 " pdbres="IHP n 402 " Chain: "o" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL o 221 " pdbres="IHP o 401 " Not linked: pdbres="IHP o 401 " pdbres="IHP o 402 " Chain: "p" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL p 221 " pdbres="IHP p 401 " Not linked: pdbres="IHP p 401 " pdbres="IHP p 402 " Chain: "q" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL q 221 " pdbres="IHP q 401 " Not linked: pdbres="IHP q 401 " pdbres="IHP q 402 " Chain: "r" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL r 221 " pdbres="IHP r 401 " Not linked: pdbres="IHP r 401 " pdbres="IHP r 402 " Chain: "s" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL s 221 " pdbres="IHP s 401 " Not linked: pdbres="IHP s 401 " pdbres="IHP s 402 " Chain: "t" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL t 221 " pdbres="IHP t 401 " Not linked: pdbres="IHP t 401 " pdbres="IHP t 402 " Chain: "u" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL u 221 " pdbres="IHP u 401 " Not linked: pdbres="IHP u 401 " pdbres="IHP u 402 " Chain: "v" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL v 221 " pdbres="IHP v 401 " Not linked: pdbres="IHP v 401 " pdbres="IHP v 402 " Chain: "w" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL w 221 " pdbres="IHP w 401 " Not linked: pdbres="IHP w 401 " pdbres="IHP w 402 " Chain: "x" Number of atoms: 1801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1801 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 203, None: 2} Not linked: pdbres="VAL x 221 " pdbres="IHP x 401 " Not linked: pdbres="IHP x 401 " pdbres="IHP x 402 " Residues with excluded nonbonded symmetry interactions: 120 residue: pdb=" C1 IHP A 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP A 401 " occ=0.01 residue: pdb=" C1 IHP A 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP A 402 " occ=0.01 residue: pdb=" C1 IHP B 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP B 401 " occ=0.01 residue: pdb=" C1 IHP B 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP B 402 " occ=0.01 residue: pdb=" C1 IHP C 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP C 401 " occ=0.01 residue: pdb=" C1 IHP C 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP C 402 " occ=0.01 residue: pdb=" C1 IHP D 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP D 401 " occ=0.01 residue: pdb=" C1 IHP D 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP D 402 " occ=0.01 residue: pdb=" C1 IHP E 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP E 401 " occ=0.01 residue: pdb=" C1 IHP E 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP E 402 " occ=0.01 residue: pdb=" C1 IHP F 401 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP F 401 " occ=0.01 residue: pdb=" C1 IHP F 402 " occ=0.01 ... (34 atoms not shown) pdb=" P6 IHP F 402 " occ=0.01 ... (remaining 108 not shown) Time building chain proxies: 39.50, per 1000 atoms: 0.37 Number of scatterers: 108060 At special positions: 0 Unit cell: (243, 243, 243, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 780 16.00 P 720 15.00 O 22260 8.00 N 18060 7.00 C 66240 6.00 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 - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68412 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F4 O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32392 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50402 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14382 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59407 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23387 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95427 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5377 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41397 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86422 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77417 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30591 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66611 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0213 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12581 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21586 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93626 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57606 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84621 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48601 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75616 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3576 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39596 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61208 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7178 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43198 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25188 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70213 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34193 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97228 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T5 O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52203 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16183 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79218 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88223 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81019 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90024 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63009 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35994 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8979 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26989 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72014 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0676 O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99029 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44999 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54004 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17984 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10780 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46800 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37795 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82820 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64810 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N2 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28790 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1775 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73815 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19785 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55805 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91825 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61208 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70213 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97228 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25188 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T5 O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52203 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7178 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43198 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34193 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79218 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88223 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16183 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68412 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F4 O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32392 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86422 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14382 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50402 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77417 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41397 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59407 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5377 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23387 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95427 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57606 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84621 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30591 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0213 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93626 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75616 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39596 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12581 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66611 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48601 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3576 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21586 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63009 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1775 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73815 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37795 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10780 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28790 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64810 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N2 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82820 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46800 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99029 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90024 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26989 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55805 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19785 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91825 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81019 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72014 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0676 O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35994 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44999 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17984 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54004 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8979 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21548 O12 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57568 O12 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30553 O12 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93588 O12 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0201 O12 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84583 O12 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48563 O12 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12543 O12 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3538 O12 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75578 O12 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66573 O12 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39558 O12 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52165 O12 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70175 O12 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88185 O12 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7140 O12 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79180 O12 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43160 O12 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25150 O12 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61170 O12 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97190 O12 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S3 O12 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16145 O12 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34155 O12 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1737 O12 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64772 O12 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73777 O12 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37757 O12 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82782 O12 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10742 O12 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46762 O12 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M0 O12 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28752 O12 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91787 O12 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55767 O12 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19747 O12 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23349 O12 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41359 O12 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59369 O12 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95389 O12 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5339 O12 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50364 O12 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14344 O12 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77379 O12 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68374 O12 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E2 O12 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32354 O12 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86384 O12 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62971 O12 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8941 O12 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80981 O12 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44961 O12 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26951 O12 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98991 O12 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17946 O12 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89986 O12 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53966 O12 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71976 O12 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35956 O12 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0664 O12 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99029 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8979 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44999 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63009 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26989 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81019 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72014 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0676 O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35994 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17984 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54004 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90024 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57606 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93626 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0213 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21586 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66611 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30591 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12581 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39596 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84621 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48601 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75616 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3576 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50402 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59407 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68412 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32392 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5377 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77417 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41397 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F4 O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86422 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14382 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23387 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95427 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19785 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64810 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N2 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28790 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1775 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73815 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37795 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46800 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55805 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91825 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10780 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82820 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70213 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52203 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34193 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T5 O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16183 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7178 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79218 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43198 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61208 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88223 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25188 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97228 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0211 O12 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30589 O12 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66609 O12 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93624 O12 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57604 O12 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21584 O12 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75614 O12 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3574 O12 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39594 O12 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84619 O12 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12579 O12 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48599 O12 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63007 O12 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0674 O12 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72012 O12 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35992 O12 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44997 O12 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99027 O12 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81017 O12 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26987 O12 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90022 O12 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54002 O12 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17982 O12 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8977 O12 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77415 O12 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41395 O12 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59405 O12 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5375 O12 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50400 O12 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95425 O12 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68410 O12 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F2 O12 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32390 O12 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86420 O12 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23385 O12 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14380 O12 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34191 O12 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16181 O12 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88221 O12 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70211 O12 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T3 O12 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52201 O12 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7176 O12 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79216 O12 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25186 O12 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43196 O12 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61206 O12 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97226 O12 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10778 O12 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46798 O12 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91823 O12 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64808 O12 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55803 O12 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1773 O12 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N0 O12 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37793 O12 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19783 O12 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82818 O12 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28788 O12 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73813 O12 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5341 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41361 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77381 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32356 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68376 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E4 O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97192 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25152 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61172 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88187 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16147 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S5 O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70177 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52167 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34157 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7142 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79182 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43162 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75580 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21550 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3540 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30555 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0203 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12545 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48565 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93590 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57570 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39560 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84585 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66575 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23351 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95391 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14346 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59371 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86386 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50366 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62973 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98993 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0666 O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89988 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44963 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71978 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80983 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26953 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53968 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35958 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17948 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M2 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1739 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73779 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28754 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64774 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55769 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46764 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37759 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82784 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10744 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91789 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19749 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86383 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95388 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59368 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41358 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77378 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5338 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14343 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50363 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23348 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68373 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E1 O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32353 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S2 O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34154 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70174 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7139 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79179 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88184 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61169 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16144 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25149 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97189 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52164 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43159 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10741 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46761 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55766 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91786 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19746 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82781 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28751 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00LZ O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1736 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37756 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64771 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73776 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26950 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98990 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62970 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89985 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17945 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8940 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80980 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53965 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44960 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0663 O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71975 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35955 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12542 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3537 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84582 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48562 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30552 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75577 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0200 O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39557 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21547 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57567 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93587 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66572 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73812 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37792 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1772 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82817 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10777 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55802 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19782 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91822 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46797 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00MZ O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28787 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64807 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57603 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93623 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75613 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30588 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48598 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0210 O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84618 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3573 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21583 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39593 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12578 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66608 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70210 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T2 O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34190 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7175 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79215 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43195 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61205 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97225 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88220 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25185 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16180 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52200 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63006 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99026 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0673 O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35991 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72011 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26986 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54001 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90021 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81016 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44996 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17981 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8976 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14379 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50399 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86419 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5374 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77414 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41394 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23384 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59404 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95424 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68409 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F1 O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32389 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46798 O12 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73813 O12 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37793 O12 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N0 O12 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82818 O12 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28788 O12 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10778 O12 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64808 O12 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1773 O12 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55803 O12 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19783 O12 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91823 O12 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70211 O12 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52201 O12 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88221 O12 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16181 O12 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34191 O12 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T3 O12 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43196 O12 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97226 O12 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61206 O12 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25186 O12 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79216 O12 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7176 O12 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66609 O12 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0211 O12 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30589 O12 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57604 O12 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93624 O12 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84619 O12 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21584 O12 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3574 O12 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75614 O12 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39594 O12 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12579 O12 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48599 O12 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63007 O12 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26987 O12 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17982 O12 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72012 O12 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0674 O12 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35992 O12 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99027 O12 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90022 O12 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54002 O12 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44997 O12 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81017 O12 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8977 O12 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5375 O12 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77415 O12 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41395 O12 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95425 O12 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23385 O12 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59405 O12 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14380 O12 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50400 O12 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68410 O12 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32390 O12 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86420 O12 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F2 O12 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19785 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10780 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55805 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91825 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82820 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46800 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64810 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N2 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28790 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73815 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37795 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1775 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88223 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25188 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61208 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97228 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16183 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52203 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7178 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79218 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43198 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T5 O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34193 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70213 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26989 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17984 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54004 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72014 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99029 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44999 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63009 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0676 O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35994 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90024 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8979 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81019 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57606 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30591 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12581 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84621 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39596 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93626 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75616 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66611 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0213 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3576 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48601 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21586 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86422 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23387 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95427 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14382 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50402 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59407 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77417 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5377 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41397 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F4 O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32392 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68412 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0674 O12 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35992 O12 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90022 O12 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54002 O12 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17982 O12 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99027 O12 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8977 O12 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81017 O12 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63007 O12 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26987 O12 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72012 O12 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44997 O12 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19783 O12 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46798 O12 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55803 O12 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64808 O12 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91823 O12 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82818 O12 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28788 O12 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37793 O12 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N0 O12 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73813 O12 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10778 O12 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1773 O12 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25186 O12 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43196 O12 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97226 O12 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61206 O12 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79216 O12 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7176 O12 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70211 O12 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52201 O12 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16181 O12 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T3 O12 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34191 O12 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88221 O12 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48599 O12 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84619 O12 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12579 O12 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75614 O12 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3574 O12 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39594 O12 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57604 O12 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21584 O12 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93624 O12 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66609 O12 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0211 O12 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30589 O12 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95425 O12 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23385 O12 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32390 O12 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68410 O12 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59405 O12 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F2 O12 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86420 O12 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5375 O12 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41395 O12 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14380 O12 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77415 O12 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50400 O12 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3575 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84620 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75615 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39595 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12580 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48600 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66610 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30590 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0212 O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93625 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21585 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57605 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64809 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N1 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55804 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91824 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28789 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19784 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82819 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73814 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1774 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10779 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37794 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46799 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5376 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95426 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23386 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86421 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14381 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77416 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41396 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F3 O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68411 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32391 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59406 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50401 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44998 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72013 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17983 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26988 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90023 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54003 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63008 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99028 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35993 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8978 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81018 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0675 O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88222 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52202 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70212 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16182 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7177 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79217 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43197 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61207 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T4 O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34192 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25187 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97227 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21551 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93591 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30556 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66576 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0204 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57571 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84586 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12546 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48566 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75581 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3541 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39561 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10745 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82785 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M3 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91790 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73780 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37760 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55770 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19750 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28755 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46765 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64775 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1740 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59372 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23352 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95392 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50367 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14347 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77382 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41362 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86387 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5342 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32357 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E5 O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68377 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0667 O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35959 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62974 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26954 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71979 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98994 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80984 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44964 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17949 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53969 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89989 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25153 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61173 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16148 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52168 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S6 O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97193 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34158 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88188 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79183 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43163 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70178 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7143 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM63010 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72015 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54005 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45000 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35995 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26990 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99030 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0677 O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90025 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17985 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81020 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8980 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48602 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84622 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12582 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57607 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21587 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93627 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3577 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75617 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39597 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66612 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0214 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30592 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55806 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91826 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19786 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37796 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1776 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73816 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28791 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N3 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64811 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10781 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46801 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82821 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F5 O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77418 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32393 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41398 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59408 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86423 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68413 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5378 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95428 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50403 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14383 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23388 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70214 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34194 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7179 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T6 O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88224 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79219 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16184 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43199 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52204 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61209 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97229 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25189 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53967 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26952 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98992 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17947 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89987 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35957 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71977 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0665 O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62972 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80982 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44962 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34156 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25151 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S4 O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97191 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70176 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7141 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79181 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43161 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88186 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16146 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52166 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61171 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E3 O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32355 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77380 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68375 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41360 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95390 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59370 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86385 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23350 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14345 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50365 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5340 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30554 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3539 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75579 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0202 O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39559 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57569 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66574 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93589 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21549 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84584 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12544 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48564 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64773 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M1 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73778 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28753 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37758 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82783 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91788 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55768 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1738 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19748 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10743 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46763 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68378 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32358 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03E6 O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14348 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5343 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50368 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41363 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23353 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59373 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95393 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77383 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86388 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3542 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12547 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48567 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30557 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39562 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66577 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0205 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84587 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57572 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21552 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93592 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75582 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73781 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91791 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00M4 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19751 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64776 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28756 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1741 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37761 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82786 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10746 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46766 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55771 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0668 O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89990 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71980 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35960 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17950 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53970 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62975 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98995 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26955 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80985 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44965 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7144 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM79184 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04S7 O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34159 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25154 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43164 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM70179 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM52169 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16149 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM97194 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM61174 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM88189 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM43200 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM70215 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16185 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52205 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25190 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7180 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM79220 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04T7 O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34195 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM88225 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM61210 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM97230 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39598 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66613 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48603 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57608 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30593 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75618 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0215 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12583 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84623 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3578 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93628 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21588 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73817 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37797 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19787 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91827 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55807 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82822 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1777 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10782 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00N4 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28792 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46802 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64812 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77419 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59409 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86424 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5379 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41399 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23389 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50404 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14384 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95429 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32394 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68414 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA03F6 O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8981 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM45001 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM81021 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35996 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM63011 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM72016 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0678 O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM99031 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17986 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM54006 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26991 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM90026 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Number of custom bonds: simple=60, symmetry=0 Number of additional bonds: simple=60, symmetry=0 Coordination: Other bonds: Time building additional restraints: 59.94 Conformation dependent library (CDL) restraints added in 13.4 seconds 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 24960 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 720 helices and 60 sheets defined 75.6% alpha, 3.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 22.61 Creating SS restraints... Processing helix chain 'A' and resid 16 through 29 Processing helix chain 'A' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE A 37 " --> pdb=" O SER A 33 " (cutoff:3.500A) Proline residue: A 38 - end of helix removed outlier: 3.679A pdb=" N GLU A 45 " --> pdb=" O SER A 41 " (cutoff:3.500A) Processing helix chain 'A' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR A 58 " --> pdb=" O THR A 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL A 59 " --> pdb=" O MET A 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA A 60 " --> pdb=" O LEU A 56 " (cutoff:3.500A) Proline residue: A 61 - end of helix Processing helix chain 'A' and resid 62 through 85 Proline residue: A 85 - end of helix Processing helix chain 'A' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA A 105 " --> pdb=" O GLY A 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY A 106 " --> pdb=" O SER A 102 " (cutoff:3.500A) Processing helix chain 'A' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS A 120 " --> pdb=" O GLY A 116 " (cutoff:3.500A) Processing helix chain 'A' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE A 129 " --> pdb=" O PRO A 125 " (cutoff:3.500A) Processing helix chain 'A' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE A 153 " --> pdb=" O SER A 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG A 154 " --> pdb=" O ILE A 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 149 through 154' Processing helix chain 'A' and resid 160 through 176 Processing helix chain 'A' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU A 190 " --> pdb=" O THR A 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL A 191 " --> pdb=" O GLU A 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA A 194 " --> pdb=" O LEU A 190 " (cutoff:3.500A) Processing helix chain 'A' and resid 195 through 206 Processing helix chain 'A' and resid 210 through 219 Processing helix chain 'B' and resid 16 through 29 Processing helix chain 'B' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE B 37 " --> pdb=" O SER B 33 " (cutoff:3.500A) Proline residue: B 38 - end of helix removed outlier: 3.679A pdb=" N GLU B 45 " --> pdb=" O SER B 41 " (cutoff:3.500A) Processing helix chain 'B' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR B 58 " --> pdb=" O THR B 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL B 59 " --> pdb=" O MET B 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA B 60 " --> pdb=" O LEU B 56 " (cutoff:3.500A) Proline residue: B 61 - end of helix Processing helix chain 'B' and resid 62 through 85 Proline residue: B 85 - end of helix Processing helix chain 'B' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA B 105 " --> pdb=" O GLY B 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY B 106 " --> pdb=" O SER B 102 " (cutoff:3.500A) Processing helix chain 'B' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS B 120 " --> pdb=" O GLY B 116 " (cutoff:3.500A) Processing helix chain 'B' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE B 129 " --> pdb=" O PRO B 125 " (cutoff:3.500A) Processing helix chain 'B' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE B 153 " --> pdb=" O SER B 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG B 154 " --> pdb=" O ILE B 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 149 through 154' Processing helix chain 'B' and resid 160 through 176 Processing helix chain 'B' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU B 190 " --> pdb=" O THR B 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL B 191 " --> pdb=" O GLU B 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA B 194 " --> pdb=" O LEU B 190 " (cutoff:3.500A) Processing helix chain 'B' and resid 195 through 206 Processing helix chain 'B' and resid 210 through 219 Processing helix chain 'C' and resid 16 through 29 Processing helix chain 'C' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE C 37 " --> pdb=" O SER C 33 " (cutoff:3.500A) Proline residue: C 38 - end of helix removed outlier: 3.680A pdb=" N GLU C 45 " --> pdb=" O SER C 41 " (cutoff:3.500A) Processing helix chain 'C' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR C 58 " --> pdb=" O THR C 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL C 59 " --> pdb=" O MET C 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA C 60 " --> pdb=" O LEU C 56 " (cutoff:3.500A) Proline residue: C 61 - end of helix Processing helix chain 'C' and resid 62 through 85 Proline residue: C 85 - end of helix Processing helix chain 'C' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA C 105 " --> pdb=" O GLY C 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY C 106 " --> pdb=" O SER C 102 " (cutoff:3.500A) Processing helix chain 'C' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS C 120 " --> pdb=" O GLY C 116 " (cutoff:3.500A) Processing helix chain 'C' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE C 129 " --> pdb=" O PRO C 125 " (cutoff:3.500A) Processing helix chain 'C' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE C 153 " --> pdb=" O SER C 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG C 154 " --> pdb=" O ILE C 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 149 through 154' Processing helix chain 'C' and resid 160 through 176 Processing helix chain 'C' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU C 190 " --> pdb=" O THR C 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL C 191 " --> pdb=" O GLU C 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA C 194 " --> pdb=" O LEU C 190 " (cutoff:3.500A) Processing helix chain 'C' and resid 195 through 206 Processing helix chain 'C' and resid 210 through 219 Processing helix chain 'D' and resid 16 through 29 Processing helix chain 'D' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE D 37 " --> pdb=" O SER D 33 " (cutoff:3.500A) Proline residue: D 38 - end of helix removed outlier: 3.679A pdb=" N GLU D 45 " --> pdb=" O SER D 41 " (cutoff:3.500A) Processing helix chain 'D' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR D 58 " --> pdb=" O THR D 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL D 59 " --> pdb=" O MET D 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA D 60 " --> pdb=" O LEU D 56 " (cutoff:3.500A) Proline residue: D 61 - end of helix Processing helix chain 'D' and resid 62 through 85 Proline residue: D 85 - end of helix Processing helix chain 'D' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA D 105 " --> pdb=" O GLY D 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY D 106 " --> pdb=" O SER D 102 " (cutoff:3.500A) Processing helix chain 'D' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS D 120 " --> pdb=" O GLY D 116 " (cutoff:3.500A) Processing helix chain 'D' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE D 129 " --> pdb=" O PRO D 125 " (cutoff:3.500A) Processing helix chain 'D' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE D 153 " --> pdb=" O SER D 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG D 154 " --> pdb=" O ILE D 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 149 through 154' Processing helix chain 'D' and resid 160 through 176 Processing helix chain 'D' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU D 190 " --> pdb=" O THR D 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL D 191 " --> pdb=" O GLU D 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA D 194 " --> pdb=" O LEU D 190 " (cutoff:3.500A) Processing helix chain 'D' and resid 195 through 206 Processing helix chain 'D' and resid 210 through 219 Processing helix chain 'E' and resid 16 through 29 Processing helix chain 'E' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE E 37 " --> pdb=" O SER E 33 " (cutoff:3.500A) Proline residue: E 38 - end of helix removed outlier: 3.679A pdb=" N GLU E 45 " --> pdb=" O SER E 41 " (cutoff:3.500A) Processing helix chain 'E' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR E 58 " --> pdb=" O THR E 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL E 59 " --> pdb=" O MET E 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA E 60 " --> pdb=" O LEU E 56 " (cutoff:3.500A) Proline residue: E 61 - end of helix Processing helix chain 'E' and resid 62 through 85 Proline residue: E 85 - end of helix Processing helix chain 'E' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA E 105 " --> pdb=" O GLY E 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY E 106 " --> pdb=" O SER E 102 " (cutoff:3.500A) Processing helix chain 'E' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS E 120 " --> pdb=" O GLY E 116 " (cutoff:3.500A) Processing helix chain 'E' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE E 129 " --> pdb=" O PRO E 125 " (cutoff:3.500A) Processing helix chain 'E' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE E 153 " --> pdb=" O SER E 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG E 154 " --> pdb=" O ILE E 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 149 through 154' Processing helix chain 'E' and resid 160 through 176 Processing helix chain 'E' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU E 190 " --> pdb=" O THR E 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL E 191 " --> pdb=" O GLU E 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA E 194 " --> pdb=" O LEU E 190 " (cutoff:3.500A) Processing helix chain 'E' and resid 195 through 206 Processing helix chain 'E' and resid 210 through 219 Processing helix chain 'F' and resid 16 through 29 Processing helix chain 'F' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE F 37 " --> pdb=" O SER F 33 " (cutoff:3.500A) Proline residue: F 38 - end of helix removed outlier: 3.679A pdb=" N GLU F 45 " --> pdb=" O SER F 41 " (cutoff:3.500A) Processing helix chain 'F' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR F 58 " --> pdb=" O THR F 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL F 59 " --> pdb=" O MET F 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA F 60 " --> pdb=" O LEU F 56 " (cutoff:3.500A) Proline residue: F 61 - end of helix Processing helix chain 'F' and resid 62 through 85 Proline residue: F 85 - end of helix Processing helix chain 'F' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA F 105 " --> pdb=" O GLY F 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY F 106 " --> pdb=" O SER F 102 " (cutoff:3.500A) Processing helix chain 'F' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS F 120 " --> pdb=" O GLY F 116 " (cutoff:3.500A) Processing helix chain 'F' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE F 129 " --> pdb=" O PRO F 125 " (cutoff:3.500A) Processing helix chain 'F' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE F 153 " --> pdb=" O SER F 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG F 154 " --> pdb=" O ILE F 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 149 through 154' Processing helix chain 'F' and resid 160 through 176 Processing helix chain 'F' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU F 190 " --> pdb=" O THR F 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL F 191 " --> pdb=" O GLU F 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA F 194 " --> pdb=" O LEU F 190 " (cutoff:3.500A) Processing helix chain 'F' and resid 195 through 206 Processing helix chain 'F' and resid 210 through 219 Processing helix chain 'G' and resid 16 through 29 Processing helix chain 'G' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE G 37 " --> pdb=" O SER G 33 " (cutoff:3.500A) Proline residue: G 38 - end of helix removed outlier: 3.679A pdb=" N GLU G 45 " --> pdb=" O SER G 41 " (cutoff:3.500A) Processing helix chain 'G' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR G 58 " --> pdb=" O THR G 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL G 59 " --> pdb=" O MET G 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA G 60 " --> pdb=" O LEU G 56 " (cutoff:3.500A) Proline residue: G 61 - end of helix Processing helix chain 'G' and resid 62 through 85 Proline residue: G 85 - end of helix Processing helix chain 'G' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA G 105 " --> pdb=" O GLY G 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY G 106 " --> pdb=" O SER G 102 " (cutoff:3.500A) Processing helix chain 'G' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS G 120 " --> pdb=" O GLY G 116 " (cutoff:3.500A) Processing helix chain 'G' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE G 129 " --> pdb=" O PRO G 125 " (cutoff:3.500A) Processing helix chain 'G' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE G 153 " --> pdb=" O SER G 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG G 154 " --> pdb=" O ILE G 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 149 through 154' Processing helix chain 'G' and resid 160 through 176 Processing helix chain 'G' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU G 190 " --> pdb=" O THR G 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL G 191 " --> pdb=" O GLU G 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA G 194 " --> pdb=" O LEU G 190 " (cutoff:3.500A) Processing helix chain 'G' and resid 195 through 206 Processing helix chain 'G' and resid 210 through 219 Processing helix chain 'H' and resid 16 through 29 Processing helix chain 'H' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE H 37 " --> pdb=" O SER H 33 " (cutoff:3.500A) Proline residue: H 38 - end of helix removed outlier: 3.680A pdb=" N GLU H 45 " --> pdb=" O SER H 41 " (cutoff:3.500A) Processing helix chain 'H' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR H 58 " --> pdb=" O THR H 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL H 59 " --> pdb=" O MET H 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA H 60 " --> pdb=" O LEU H 56 " (cutoff:3.500A) Proline residue: H 61 - end of helix Processing helix chain 'H' and resid 62 through 85 Proline residue: H 85 - end of helix Processing helix chain 'H' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA H 105 " --> pdb=" O GLY H 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY H 106 " --> pdb=" O SER H 102 " (cutoff:3.500A) Processing helix chain 'H' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS H 120 " --> pdb=" O GLY H 116 " (cutoff:3.500A) Processing helix chain 'H' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE H 129 " --> pdb=" O PRO H 125 " (cutoff:3.500A) Processing helix chain 'H' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE H 153 " --> pdb=" O SER H 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG H 154 " --> pdb=" O ILE H 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 149 through 154' Processing helix chain 'H' and resid 160 through 176 Processing helix chain 'H' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU H 190 " --> pdb=" O THR H 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL H 191 " --> pdb=" O GLU H 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA H 194 " --> pdb=" O LEU H 190 " (cutoff:3.500A) Processing helix chain 'H' and resid 195 through 206 Processing helix chain 'H' and resid 210 through 219 Processing helix chain 'I' and resid 16 through 29 Processing helix chain 'I' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE I 37 " --> pdb=" O SER I 33 " (cutoff:3.500A) Proline residue: I 38 - end of helix removed outlier: 3.679A pdb=" N GLU I 45 " --> pdb=" O SER I 41 " (cutoff:3.500A) Processing helix chain 'I' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR I 58 " --> pdb=" O THR I 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL I 59 " --> pdb=" O MET I 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA I 60 " --> pdb=" O LEU I 56 " (cutoff:3.500A) Proline residue: I 61 - end of helix Processing helix chain 'I' and resid 62 through 85 Proline residue: I 85 - end of helix Processing helix chain 'I' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA I 105 " --> pdb=" O GLY I 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY I 106 " --> pdb=" O SER I 102 " (cutoff:3.500A) Processing helix chain 'I' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS I 120 " --> pdb=" O GLY I 116 " (cutoff:3.500A) Processing helix chain 'I' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE I 129 " --> pdb=" O PRO I 125 " (cutoff:3.500A) Processing helix chain 'I' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE I 153 " --> pdb=" O SER I 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG I 154 " --> pdb=" O ILE I 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 149 through 154' Processing helix chain 'I' and resid 160 through 176 Processing helix chain 'I' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU I 190 " --> pdb=" O THR I 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL I 191 " --> pdb=" O GLU I 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA I 194 " --> pdb=" O LEU I 190 " (cutoff:3.500A) Processing helix chain 'I' and resid 195 through 206 Processing helix chain 'I' and resid 210 through 219 Processing helix chain 'J' and resid 16 through 29 Processing helix chain 'J' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE J 37 " --> pdb=" O SER J 33 " (cutoff:3.500A) Proline residue: J 38 - end of helix removed outlier: 3.679A pdb=" N GLU J 45 " --> pdb=" O SER J 41 " (cutoff:3.500A) Processing helix chain 'J' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR J 58 " --> pdb=" O THR J 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL J 59 " --> pdb=" O MET J 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA J 60 " --> pdb=" O LEU J 56 " (cutoff:3.500A) Proline residue: J 61 - end of helix Processing helix chain 'J' and resid 62 through 85 Proline residue: J 85 - end of helix Processing helix chain 'J' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA J 105 " --> pdb=" O GLY J 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY J 106 " --> pdb=" O SER J 102 " (cutoff:3.500A) Processing helix chain 'J' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS J 120 " --> pdb=" O GLY J 116 " (cutoff:3.500A) Processing helix chain 'J' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE J 129 " --> pdb=" O PRO J 125 " (cutoff:3.500A) Processing helix chain 'J' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE J 153 " --> pdb=" O SER J 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG J 154 " --> pdb=" O ILE J 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 149 through 154' Processing helix chain 'J' and resid 160 through 176 Processing helix chain 'J' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU J 190 " --> pdb=" O THR J 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL J 191 " --> pdb=" O GLU J 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA J 194 " --> pdb=" O LEU J 190 " (cutoff:3.500A) Processing helix chain 'J' and resid 195 through 206 Processing helix chain 'J' and resid 210 through 219 Processing helix chain 'K' and resid 16 through 29 Processing helix chain 'K' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE K 37 " --> pdb=" O SER K 33 " (cutoff:3.500A) Proline residue: K 38 - end of helix removed outlier: 3.679A pdb=" N GLU K 45 " --> pdb=" O SER K 41 " (cutoff:3.500A) Processing helix chain 'K' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR K 58 " --> pdb=" O THR K 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL K 59 " --> pdb=" O MET K 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA K 60 " --> pdb=" O LEU K 56 " (cutoff:3.500A) Proline residue: K 61 - end of helix Processing helix chain 'K' and resid 62 through 85 Proline residue: K 85 - end of helix Processing helix chain 'K' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA K 105 " --> pdb=" O GLY K 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY K 106 " --> pdb=" O SER K 102 " (cutoff:3.500A) Processing helix chain 'K' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS K 120 " --> pdb=" O GLY K 116 " (cutoff:3.500A) Processing helix chain 'K' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE K 129 " --> pdb=" O PRO K 125 " (cutoff:3.500A) Processing helix chain 'K' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE K 153 " --> pdb=" O SER K 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG K 154 " --> pdb=" O ILE K 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 149 through 154' Processing helix chain 'K' and resid 160 through 176 Processing helix chain 'K' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU K 190 " --> pdb=" O THR K 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL K 191 " --> pdb=" O GLU K 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA K 194 " --> pdb=" O LEU K 190 " (cutoff:3.500A) Processing helix chain 'K' and resid 195 through 206 Processing helix chain 'K' and resid 210 through 219 Processing helix chain 'L' and resid 16 through 29 Processing helix chain 'L' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE L 37 " --> pdb=" O SER L 33 " (cutoff:3.500A) Proline residue: L 38 - end of helix removed outlier: 3.679A pdb=" N GLU L 45 " --> pdb=" O SER L 41 " (cutoff:3.500A) Processing helix chain 'L' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR L 58 " --> pdb=" O THR L 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL L 59 " --> pdb=" O MET L 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA L 60 " --> pdb=" O LEU L 56 " (cutoff:3.500A) Proline residue: L 61 - end of helix Processing helix chain 'L' and resid 62 through 85 Proline residue: L 85 - end of helix Processing helix chain 'L' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA L 105 " --> pdb=" O GLY L 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY L 106 " --> pdb=" O SER L 102 " (cutoff:3.500A) Processing helix chain 'L' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS L 120 " --> pdb=" O GLY L 116 " (cutoff:3.500A) Processing helix chain 'L' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE L 129 " --> pdb=" O PRO L 125 " (cutoff:3.500A) Processing helix chain 'L' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE L 153 " --> pdb=" O SER L 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG L 154 " --> pdb=" O ILE L 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 149 through 154' Processing helix chain 'L' and resid 160 through 176 Processing helix chain 'L' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU L 190 " --> pdb=" O THR L 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL L 191 " --> pdb=" O GLU L 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA L 194 " --> pdb=" O LEU L 190 " (cutoff:3.500A) Processing helix chain 'L' and resid 195 through 206 Processing helix chain 'L' and resid 210 through 219 Processing helix chain 'M' and resid 16 through 29 Processing helix chain 'M' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE M 37 " --> pdb=" O SER M 33 " (cutoff:3.500A) Proline residue: M 38 - end of helix removed outlier: 3.680A pdb=" N GLU M 45 " --> pdb=" O SER M 41 " (cutoff:3.500A) Processing helix chain 'M' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR M 58 " --> pdb=" O THR M 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL M 59 " --> pdb=" O MET M 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA M 60 " --> pdb=" O LEU M 56 " (cutoff:3.500A) Proline residue: M 61 - end of helix Processing helix chain 'M' and resid 62 through 85 Proline residue: M 85 - end of helix Processing helix chain 'M' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA M 105 " --> pdb=" O GLY M 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY M 106 " --> pdb=" O SER M 102 " (cutoff:3.500A) Processing helix chain 'M' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS M 120 " --> pdb=" O GLY M 116 " (cutoff:3.500A) Processing helix chain 'M' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE M 129 " --> pdb=" O PRO M 125 " (cutoff:3.500A) Processing helix chain 'M' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE M 153 " --> pdb=" O SER M 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG M 154 " --> pdb=" O ILE M 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 149 through 154' Processing helix chain 'M' and resid 160 through 176 Processing helix chain 'M' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU M 190 " --> pdb=" O THR M 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL M 191 " --> pdb=" O GLU M 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA M 194 " --> pdb=" O LEU M 190 " (cutoff:3.500A) Processing helix chain 'M' and resid 195 through 206 Processing helix chain 'M' and resid 210 through 219 Processing helix chain 'N' and resid 16 through 29 Processing helix chain 'N' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE N 37 " --> pdb=" O SER N 33 " (cutoff:3.500A) Proline residue: N 38 - end of helix removed outlier: 3.679A pdb=" N GLU N 45 " --> pdb=" O SER N 41 " (cutoff:3.500A) Processing helix chain 'N' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR N 58 " --> pdb=" O THR N 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL N 59 " --> pdb=" O MET N 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA N 60 " --> pdb=" O LEU N 56 " (cutoff:3.500A) Proline residue: N 61 - end of helix Processing helix chain 'N' and resid 62 through 85 Proline residue: N 85 - end of helix Processing helix chain 'N' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA N 105 " --> pdb=" O GLY N 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY N 106 " --> pdb=" O SER N 102 " (cutoff:3.500A) Processing helix chain 'N' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS N 120 " --> pdb=" O GLY N 116 " (cutoff:3.500A) Processing helix chain 'N' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE N 129 " --> pdb=" O PRO N 125 " (cutoff:3.500A) Processing helix chain 'N' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE N 153 " --> pdb=" O SER N 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG N 154 " --> pdb=" O ILE N 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 149 through 154' Processing helix chain 'N' and resid 160 through 176 Processing helix chain 'N' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU N 190 " --> pdb=" O THR N 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL N 191 " --> pdb=" O GLU N 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA N 194 " --> pdb=" O LEU N 190 " (cutoff:3.500A) Processing helix chain 'N' and resid 195 through 206 Processing helix chain 'N' and resid 210 through 219 Processing helix chain 'O' and resid 16 through 29 Processing helix chain 'O' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE O 37 " --> pdb=" O SER O 33 " (cutoff:3.500A) Proline residue: O 38 - end of helix removed outlier: 3.679A pdb=" N GLU O 45 " --> pdb=" O SER O 41 " (cutoff:3.500A) Processing helix chain 'O' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR O 58 " --> pdb=" O THR O 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL O 59 " --> pdb=" O MET O 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA O 60 " --> pdb=" O LEU O 56 " (cutoff:3.500A) Proline residue: O 61 - end of helix Processing helix chain 'O' and resid 62 through 85 Proline residue: O 85 - end of helix Processing helix chain 'O' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA O 105 " --> pdb=" O GLY O 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY O 106 " --> pdb=" O SER O 102 " (cutoff:3.500A) Processing helix chain 'O' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS O 120 " --> pdb=" O GLY O 116 " (cutoff:3.500A) Processing helix chain 'O' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE O 129 " --> pdb=" O PRO O 125 " (cutoff:3.500A) Processing helix chain 'O' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE O 153 " --> pdb=" O SER O 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG O 154 " --> pdb=" O ILE O 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 149 through 154' Processing helix chain 'O' and resid 160 through 176 Processing helix chain 'O' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU O 190 " --> pdb=" O THR O 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL O 191 " --> pdb=" O GLU O 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA O 194 " --> pdb=" O LEU O 190 " (cutoff:3.500A) Processing helix chain 'O' and resid 195 through 206 Processing helix chain 'O' and resid 210 through 219 Processing helix chain 'P' and resid 16 through 29 Processing helix chain 'P' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE P 37 " --> pdb=" O SER P 33 " (cutoff:3.500A) Proline residue: P 38 - end of helix removed outlier: 3.679A pdb=" N GLU P 45 " --> pdb=" O SER P 41 " (cutoff:3.500A) Processing helix chain 'P' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR P 58 " --> pdb=" O THR P 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL P 59 " --> pdb=" O MET P 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA P 60 " --> pdb=" O LEU P 56 " (cutoff:3.500A) Proline residue: P 61 - end of helix Processing helix chain 'P' and resid 62 through 85 Proline residue: P 85 - end of helix Processing helix chain 'P' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA P 105 " --> pdb=" O GLY P 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY P 106 " --> pdb=" O SER P 102 " (cutoff:3.500A) Processing helix chain 'P' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS P 120 " --> pdb=" O GLY P 116 " (cutoff:3.500A) Processing helix chain 'P' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE P 129 " --> pdb=" O PRO P 125 " (cutoff:3.500A) Processing helix chain 'P' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE P 153 " --> pdb=" O SER P 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG P 154 " --> pdb=" O ILE P 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 149 through 154' Processing helix chain 'P' and resid 160 through 176 Processing helix chain 'P' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU P 190 " --> pdb=" O THR P 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL P 191 " --> pdb=" O GLU P 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA P 194 " --> pdb=" O LEU P 190 " (cutoff:3.500A) Processing helix chain 'P' and resid 195 through 206 Processing helix chain 'P' and resid 210 through 219 Processing helix chain 'Q' and resid 16 through 29 Processing helix chain 'Q' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE Q 37 " --> pdb=" O SER Q 33 " (cutoff:3.500A) Proline residue: Q 38 - end of helix removed outlier: 3.679A pdb=" N GLU Q 45 " --> pdb=" O SER Q 41 " (cutoff:3.500A) Processing helix chain 'Q' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR Q 58 " --> pdb=" O THR Q 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL Q 59 " --> pdb=" O MET Q 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA Q 60 " --> pdb=" O LEU Q 56 " (cutoff:3.500A) Proline residue: Q 61 - end of helix Processing helix chain 'Q' and resid 62 through 85 Proline residue: Q 85 - end of helix Processing helix chain 'Q' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA Q 105 " --> pdb=" O GLY Q 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY Q 106 " --> pdb=" O SER Q 102 " (cutoff:3.500A) Processing helix chain 'Q' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS Q 120 " --> pdb=" O GLY Q 116 " (cutoff:3.500A) Processing helix chain 'Q' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE Q 129 " --> pdb=" O PRO Q 125 " (cutoff:3.500A) Processing helix chain 'Q' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE Q 153 " --> pdb=" O SER Q 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG Q 154 " --> pdb=" O ILE Q 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 149 through 154' Processing helix chain 'Q' and resid 160 through 176 Processing helix chain 'Q' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU Q 190 " --> pdb=" O THR Q 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL Q 191 " --> pdb=" O GLU Q 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA Q 194 " --> pdb=" O LEU Q 190 " (cutoff:3.500A) Processing helix chain 'Q' and resid 195 through 206 Processing helix chain 'Q' and resid 210 through 219 Processing helix chain 'R' and resid 16 through 29 Processing helix chain 'R' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE R 37 " --> pdb=" O SER R 33 " (cutoff:3.500A) Proline residue: R 38 - end of helix removed outlier: 3.680A pdb=" N GLU R 45 " --> pdb=" O SER R 41 " (cutoff:3.500A) Processing helix chain 'R' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR R 58 " --> pdb=" O THR R 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL R 59 " --> pdb=" O MET R 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA R 60 " --> pdb=" O LEU R 56 " (cutoff:3.500A) Proline residue: R 61 - end of helix Processing helix chain 'R' and resid 62 through 85 Proline residue: R 85 - end of helix Processing helix chain 'R' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA R 105 " --> pdb=" O GLY R 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY R 106 " --> pdb=" O SER R 102 " (cutoff:3.500A) Processing helix chain 'R' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS R 120 " --> pdb=" O GLY R 116 " (cutoff:3.500A) Processing helix chain 'R' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE R 129 " --> pdb=" O PRO R 125 " (cutoff:3.500A) Processing helix chain 'R' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE R 153 " --> pdb=" O SER R 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG R 154 " --> pdb=" O ILE R 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 149 through 154' Processing helix chain 'R' and resid 160 through 176 Processing helix chain 'R' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU R 190 " --> pdb=" O THR R 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL R 191 " --> pdb=" O GLU R 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA R 194 " --> pdb=" O LEU R 190 " (cutoff:3.500A) Processing helix chain 'R' and resid 195 through 206 Processing helix chain 'R' and resid 210 through 219 Processing helix chain 'S' and resid 16 through 29 Processing helix chain 'S' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE S 37 " --> pdb=" O SER S 33 " (cutoff:3.500A) Proline residue: S 38 - end of helix removed outlier: 3.679A pdb=" N GLU S 45 " --> pdb=" O SER S 41 " (cutoff:3.500A) Processing helix chain 'S' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR S 58 " --> pdb=" O THR S 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL S 59 " --> pdb=" O MET S 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA S 60 " --> pdb=" O LEU S 56 " (cutoff:3.500A) Proline residue: S 61 - end of helix Processing helix chain 'S' and resid 62 through 85 Proline residue: S 85 - end of helix Processing helix chain 'S' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA S 105 " --> pdb=" O GLY S 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY S 106 " --> pdb=" O SER S 102 " (cutoff:3.500A) Processing helix chain 'S' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS S 120 " --> pdb=" O GLY S 116 " (cutoff:3.500A) Processing helix chain 'S' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE S 129 " --> pdb=" O PRO S 125 " (cutoff:3.500A) Processing helix chain 'S' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE S 153 " --> pdb=" O SER S 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG S 154 " --> pdb=" O ILE S 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 149 through 154' Processing helix chain 'S' and resid 160 through 176 Processing helix chain 'S' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU S 190 " --> pdb=" O THR S 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL S 191 " --> pdb=" O GLU S 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA S 194 " --> pdb=" O LEU S 190 " (cutoff:3.500A) Processing helix chain 'S' and resid 195 through 206 Processing helix chain 'S' and resid 210 through 219 Processing helix chain 'T' and resid 16 through 29 Processing helix chain 'T' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE T 37 " --> pdb=" O SER T 33 " (cutoff:3.500A) Proline residue: T 38 - end of helix removed outlier: 3.679A pdb=" N GLU T 45 " --> pdb=" O SER T 41 " (cutoff:3.500A) Processing helix chain 'T' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR T 58 " --> pdb=" O THR T 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL T 59 " --> pdb=" O MET T 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA T 60 " --> pdb=" O LEU T 56 " (cutoff:3.500A) Proline residue: T 61 - end of helix Processing helix chain 'T' and resid 62 through 85 Proline residue: T 85 - end of helix Processing helix chain 'T' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA T 105 " --> pdb=" O GLY T 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY T 106 " --> pdb=" O SER T 102 " (cutoff:3.500A) Processing helix chain 'T' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS T 120 " --> pdb=" O GLY T 116 " (cutoff:3.500A) Processing helix chain 'T' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE T 129 " --> pdb=" O PRO T 125 " (cutoff:3.500A) Processing helix chain 'T' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE T 153 " --> pdb=" O SER T 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG T 154 " --> pdb=" O ILE T 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 149 through 154' Processing helix chain 'T' and resid 160 through 176 Processing helix chain 'T' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU T 190 " --> pdb=" O THR T 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL T 191 " --> pdb=" O GLU T 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA T 194 " --> pdb=" O LEU T 190 " (cutoff:3.500A) Processing helix chain 'T' and resid 195 through 206 Processing helix chain 'T' and resid 210 through 219 Processing helix chain 'U' and resid 16 through 29 Processing helix chain 'U' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE U 37 " --> pdb=" O SER U 33 " (cutoff:3.500A) Proline residue: U 38 - end of helix removed outlier: 3.679A pdb=" N GLU U 45 " --> pdb=" O SER U 41 " (cutoff:3.500A) Processing helix chain 'U' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR U 58 " --> pdb=" O THR U 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL U 59 " --> pdb=" O MET U 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA U 60 " --> pdb=" O LEU U 56 " (cutoff:3.500A) Proline residue: U 61 - end of helix Processing helix chain 'U' and resid 62 through 85 Proline residue: U 85 - end of helix Processing helix chain 'U' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA U 105 " --> pdb=" O GLY U 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY U 106 " --> pdb=" O SER U 102 " (cutoff:3.500A) Processing helix chain 'U' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS U 120 " --> pdb=" O GLY U 116 " (cutoff:3.500A) Processing helix chain 'U' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE U 129 " --> pdb=" O PRO U 125 " (cutoff:3.500A) Processing helix chain 'U' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE U 153 " --> pdb=" O SER U 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG U 154 " --> pdb=" O ILE U 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 149 through 154' Processing helix chain 'U' and resid 160 through 176 Processing helix chain 'U' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU U 190 " --> pdb=" O THR U 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL U 191 " --> pdb=" O GLU U 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA U 194 " --> pdb=" O LEU U 190 " (cutoff:3.500A) Processing helix chain 'U' and resid 195 through 206 Processing helix chain 'U' and resid 210 through 219 Processing helix chain 'V' and resid 16 through 29 Processing helix chain 'V' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE V 37 " --> pdb=" O SER V 33 " (cutoff:3.500A) Proline residue: V 38 - end of helix removed outlier: 3.679A pdb=" N GLU V 45 " --> pdb=" O SER V 41 " (cutoff:3.500A) Processing helix chain 'V' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR V 58 " --> pdb=" O THR V 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL V 59 " --> pdb=" O MET V 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA V 60 " --> pdb=" O LEU V 56 " (cutoff:3.500A) Proline residue: V 61 - end of helix Processing helix chain 'V' and resid 62 through 85 Proline residue: V 85 - end of helix Processing helix chain 'V' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA V 105 " --> pdb=" O GLY V 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY V 106 " --> pdb=" O SER V 102 " (cutoff:3.500A) Processing helix chain 'V' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS V 120 " --> pdb=" O GLY V 116 " (cutoff:3.500A) Processing helix chain 'V' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE V 129 " --> pdb=" O PRO V 125 " (cutoff:3.500A) Processing helix chain 'V' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE V 153 " --> pdb=" O SER V 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG V 154 " --> pdb=" O ILE V 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 149 through 154' Processing helix chain 'V' and resid 160 through 176 Processing helix chain 'V' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU V 190 " --> pdb=" O THR V 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL V 191 " --> pdb=" O GLU V 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA V 194 " --> pdb=" O LEU V 190 " (cutoff:3.500A) Processing helix chain 'V' and resid 195 through 206 Processing helix chain 'V' and resid 210 through 219 Processing helix chain 'W' and resid 16 through 29 Processing helix chain 'W' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE W 37 " --> pdb=" O SER W 33 " (cutoff:3.500A) Proline residue: W 38 - end of helix removed outlier: 3.680A pdb=" N GLU W 45 " --> pdb=" O SER W 41 " (cutoff:3.500A) Processing helix chain 'W' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR W 58 " --> pdb=" O THR W 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL W 59 " --> pdb=" O MET W 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA W 60 " --> pdb=" O LEU W 56 " (cutoff:3.500A) Proline residue: W 61 - end of helix Processing helix chain 'W' and resid 62 through 85 Proline residue: W 85 - end of helix Processing helix chain 'W' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA W 105 " --> pdb=" O GLY W 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY W 106 " --> pdb=" O SER W 102 " (cutoff:3.500A) Processing helix chain 'W' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS W 120 " --> pdb=" O GLY W 116 " (cutoff:3.500A) Processing helix chain 'W' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE W 129 " --> pdb=" O PRO W 125 " (cutoff:3.500A) Processing helix chain 'W' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE W 153 " --> pdb=" O SER W 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG W 154 " --> pdb=" O ILE W 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 149 through 154' Processing helix chain 'W' and resid 160 through 176 Processing helix chain 'W' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU W 190 " --> pdb=" O THR W 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL W 191 " --> pdb=" O GLU W 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA W 194 " --> pdb=" O LEU W 190 " (cutoff:3.500A) Processing helix chain 'W' and resid 195 through 206 Processing helix chain 'W' and resid 210 through 219 Processing helix chain 'X' and resid 16 through 29 Processing helix chain 'X' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE X 37 " --> pdb=" O SER X 33 " (cutoff:3.500A) Proline residue: X 38 - end of helix removed outlier: 3.679A pdb=" N GLU X 45 " --> pdb=" O SER X 41 " (cutoff:3.500A) Processing helix chain 'X' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR X 58 " --> pdb=" O THR X 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL X 59 " --> pdb=" O MET X 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA X 60 " --> pdb=" O LEU X 56 " (cutoff:3.500A) Proline residue: X 61 - end of helix Processing helix chain 'X' and resid 62 through 85 Proline residue: X 85 - end of helix Processing helix chain 'X' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA X 105 " --> pdb=" O GLY X 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY X 106 " --> pdb=" O SER X 102 " (cutoff:3.500A) Processing helix chain 'X' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS X 120 " --> pdb=" O GLY X 116 " (cutoff:3.500A) Processing helix chain 'X' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE X 129 " --> pdb=" O PRO X 125 " (cutoff:3.500A) Processing helix chain 'X' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE X 153 " --> pdb=" O SER X 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG X 154 " --> pdb=" O ILE X 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 149 through 154' Processing helix chain 'X' and resid 160 through 176 Processing helix chain 'X' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU X 190 " --> pdb=" O THR X 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL X 191 " --> pdb=" O GLU X 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA X 194 " --> pdb=" O LEU X 190 " (cutoff:3.500A) Processing helix chain 'X' and resid 195 through 206 Processing helix chain 'X' and resid 210 through 219 Processing helix chain 'Y' and resid 16 through 29 Processing helix chain 'Y' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE Y 37 " --> pdb=" O SER Y 33 " (cutoff:3.500A) Proline residue: Y 38 - end of helix removed outlier: 3.679A pdb=" N GLU Y 45 " --> pdb=" O SER Y 41 " (cutoff:3.500A) Processing helix chain 'Y' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR Y 58 " --> pdb=" O THR Y 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL Y 59 " --> pdb=" O MET Y 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA Y 60 " --> pdb=" O LEU Y 56 " (cutoff:3.500A) Proline residue: Y 61 - end of helix Processing helix chain 'Y' and resid 62 through 85 Proline residue: Y 85 - end of helix Processing helix chain 'Y' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA Y 105 " --> pdb=" O GLY Y 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY Y 106 " --> pdb=" O SER Y 102 " (cutoff:3.500A) Processing helix chain 'Y' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS Y 120 " --> pdb=" O GLY Y 116 " (cutoff:3.500A) Processing helix chain 'Y' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE Y 129 " --> pdb=" O PRO Y 125 " (cutoff:3.500A) Processing helix chain 'Y' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE Y 153 " --> pdb=" O SER Y 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG Y 154 " --> pdb=" O ILE Y 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 149 through 154' Processing helix chain 'Y' and resid 160 through 176 Processing helix chain 'Y' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU Y 190 " --> pdb=" O THR Y 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL Y 191 " --> pdb=" O GLU Y 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA Y 194 " --> pdb=" O LEU Y 190 " (cutoff:3.500A) Processing helix chain 'Y' and resid 195 through 206 Processing helix chain 'Y' and resid 210 through 219 Processing helix chain 'Z' and resid 16 through 29 Processing helix chain 'Z' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE Z 37 " --> pdb=" O SER Z 33 " (cutoff:3.500A) Proline residue: Z 38 - end of helix removed outlier: 3.679A pdb=" N GLU Z 45 " --> pdb=" O SER Z 41 " (cutoff:3.500A) Processing helix chain 'Z' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR Z 58 " --> pdb=" O THR Z 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL Z 59 " --> pdb=" O MET Z 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA Z 60 " --> pdb=" O LEU Z 56 " (cutoff:3.500A) Proline residue: Z 61 - end of helix Processing helix chain 'Z' and resid 62 through 85 Proline residue: Z 85 - end of helix Processing helix chain 'Z' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA Z 105 " --> pdb=" O GLY Z 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY Z 106 " --> pdb=" O SER Z 102 " (cutoff:3.500A) Processing helix chain 'Z' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS Z 120 " --> pdb=" O GLY Z 116 " (cutoff:3.500A) Processing helix chain 'Z' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE Z 129 " --> pdb=" O PRO Z 125 " (cutoff:3.500A) Processing helix chain 'Z' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE Z 153 " --> pdb=" O SER Z 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG Z 154 " --> pdb=" O ILE Z 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 149 through 154' Processing helix chain 'Z' and resid 160 through 176 Processing helix chain 'Z' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU Z 190 " --> pdb=" O THR Z 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL Z 191 " --> pdb=" O GLU Z 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA Z 194 " --> pdb=" O LEU Z 190 " (cutoff:3.500A) Processing helix chain 'Z' and resid 195 through 206 Processing helix chain 'Z' and resid 210 through 219 Processing helix chain '0' and resid 16 through 29 Processing helix chain '0' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 0 37 " --> pdb=" O SER 0 33 " (cutoff:3.500A) Proline residue: 0 38 - end of helix removed outlier: 3.679A pdb=" N GLU 0 45 " --> pdb=" O SER 0 41 " (cutoff:3.500A) Processing helix chain '0' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 0 58 " --> pdb=" O THR 0 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 0 59 " --> pdb=" O MET 0 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 0 60 " --> pdb=" O LEU 0 56 " (cutoff:3.500A) Proline residue: 0 61 - end of helix Processing helix chain '0' and resid 62 through 85 Proline residue: 0 85 - end of helix Processing helix chain '0' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 0 105 " --> pdb=" O GLY 0 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY 0 106 " --> pdb=" O SER 0 102 " (cutoff:3.500A) Processing helix chain '0' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 0 120 " --> pdb=" O GLY 0 116 " (cutoff:3.500A) Processing helix chain '0' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 0 129 " --> pdb=" O PRO 0 125 " (cutoff:3.500A) Processing helix chain '0' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 0 153 " --> pdb=" O SER 0 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 0 154 " --> pdb=" O ILE 0 150 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 149 through 154' Processing helix chain '0' and resid 160 through 176 Processing helix chain '0' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU 0 190 " --> pdb=" O THR 0 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 0 191 " --> pdb=" O GLU 0 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA 0 194 " --> pdb=" O LEU 0 190 " (cutoff:3.500A) Processing helix chain '0' and resid 195 through 206 Processing helix chain '0' and resid 210 through 219 Processing helix chain '1' and resid 16 through 29 Processing helix chain '1' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 1 37 " --> pdb=" O SER 1 33 " (cutoff:3.500A) Proline residue: 1 38 - end of helix removed outlier: 3.680A pdb=" N GLU 1 45 " --> pdb=" O SER 1 41 " (cutoff:3.500A) Processing helix chain '1' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 1 58 " --> pdb=" O THR 1 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 1 59 " --> pdb=" O MET 1 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 1 60 " --> pdb=" O LEU 1 56 " (cutoff:3.500A) Proline residue: 1 61 - end of helix Processing helix chain '1' and resid 62 through 85 Proline residue: 1 85 - end of helix Processing helix chain '1' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA 1 105 " --> pdb=" O GLY 1 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 1 106 " --> pdb=" O SER 1 102 " (cutoff:3.500A) Processing helix chain '1' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 1 120 " --> pdb=" O GLY 1 116 " (cutoff:3.500A) Processing helix chain '1' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 1 129 " --> pdb=" O PRO 1 125 " (cutoff:3.500A) Processing helix chain '1' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 1 153 " --> pdb=" O SER 1 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG 1 154 " --> pdb=" O ILE 1 150 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 149 through 154' Processing helix chain '1' and resid 160 through 176 Processing helix chain '1' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU 1 190 " --> pdb=" O THR 1 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 1 191 " --> pdb=" O GLU 1 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA 1 194 " --> pdb=" O LEU 1 190 " (cutoff:3.500A) Processing helix chain '1' and resid 195 through 206 Processing helix chain '1' and resid 210 through 219 Processing helix chain '2' and resid 16 through 29 Processing helix chain '2' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 2 37 " --> pdb=" O SER 2 33 " (cutoff:3.500A) Proline residue: 2 38 - end of helix removed outlier: 3.679A pdb=" N GLU 2 45 " --> pdb=" O SER 2 41 " (cutoff:3.500A) Processing helix chain '2' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR 2 58 " --> pdb=" O THR 2 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 2 59 " --> pdb=" O MET 2 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 2 60 " --> pdb=" O LEU 2 56 " (cutoff:3.500A) Proline residue: 2 61 - end of helix Processing helix chain '2' and resid 62 through 85 Proline residue: 2 85 - end of helix Processing helix chain '2' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA 2 105 " --> pdb=" O GLY 2 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 2 106 " --> pdb=" O SER 2 102 " (cutoff:3.500A) Processing helix chain '2' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS 2 120 " --> pdb=" O GLY 2 116 " (cutoff:3.500A) Processing helix chain '2' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 2 129 " --> pdb=" O PRO 2 125 " (cutoff:3.500A) Processing helix chain '2' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 2 153 " --> pdb=" O SER 2 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG 2 154 " --> pdb=" O ILE 2 150 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 149 through 154' Processing helix chain '2' and resid 160 through 176 Processing helix chain '2' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU 2 190 " --> pdb=" O THR 2 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 2 191 " --> pdb=" O GLU 2 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 2 194 " --> pdb=" O LEU 2 190 " (cutoff:3.500A) Processing helix chain '2' and resid 195 through 206 Processing helix chain '2' and resid 210 through 219 Processing helix chain '3' and resid 16 through 29 Processing helix chain '3' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 3 37 " --> pdb=" O SER 3 33 " (cutoff:3.500A) Proline residue: 3 38 - end of helix removed outlier: 3.679A pdb=" N GLU 3 45 " --> pdb=" O SER 3 41 " (cutoff:3.500A) Processing helix chain '3' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 3 58 " --> pdb=" O THR 3 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 3 59 " --> pdb=" O MET 3 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 3 60 " --> pdb=" O LEU 3 56 " (cutoff:3.500A) Proline residue: 3 61 - end of helix Processing helix chain '3' and resid 62 through 85 Proline residue: 3 85 - end of helix Processing helix chain '3' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 3 105 " --> pdb=" O GLY 3 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY 3 106 " --> pdb=" O SER 3 102 " (cutoff:3.500A) Processing helix chain '3' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 3 120 " --> pdb=" O GLY 3 116 " (cutoff:3.500A) Processing helix chain '3' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 3 129 " --> pdb=" O PRO 3 125 " (cutoff:3.500A) Processing helix chain '3' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 3 153 " --> pdb=" O SER 3 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 3 154 " --> pdb=" O ILE 3 150 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 149 through 154' Processing helix chain '3' and resid 160 through 176 Processing helix chain '3' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU 3 190 " --> pdb=" O THR 3 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 3 191 " --> pdb=" O GLU 3 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 3 194 " --> pdb=" O LEU 3 190 " (cutoff:3.500A) Processing helix chain '3' and resid 195 through 206 Processing helix chain '3' and resid 210 through 219 Processing helix chain '4' and resid 16 through 29 Processing helix chain '4' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 4 37 " --> pdb=" O SER 4 33 " (cutoff:3.500A) Proline residue: 4 38 - end of helix removed outlier: 3.679A pdb=" N GLU 4 45 " --> pdb=" O SER 4 41 " (cutoff:3.500A) Processing helix chain '4' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 4 58 " --> pdb=" O THR 4 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 4 59 " --> pdb=" O MET 4 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 4 60 " --> pdb=" O LEU 4 56 " (cutoff:3.500A) Proline residue: 4 61 - end of helix Processing helix chain '4' and resid 62 through 85 Proline residue: 4 85 - end of helix Processing helix chain '4' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 4 105 " --> pdb=" O GLY 4 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 4 106 " --> pdb=" O SER 4 102 " (cutoff:3.500A) Processing helix chain '4' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 4 120 " --> pdb=" O GLY 4 116 " (cutoff:3.500A) Processing helix chain '4' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 4 129 " --> pdb=" O PRO 4 125 " (cutoff:3.500A) Processing helix chain '4' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 4 153 " --> pdb=" O SER 4 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 4 154 " --> pdb=" O ILE 4 150 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 149 through 154' Processing helix chain '4' and resid 160 through 176 Processing helix chain '4' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU 4 190 " --> pdb=" O THR 4 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 4 191 " --> pdb=" O GLU 4 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 4 194 " --> pdb=" O LEU 4 190 " (cutoff:3.500A) Processing helix chain '4' and resid 195 through 206 Processing helix chain '4' and resid 210 through 219 Processing helix chain '5' and resid 16 through 29 Processing helix chain '5' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 5 37 " --> pdb=" O SER 5 33 " (cutoff:3.500A) Proline residue: 5 38 - end of helix removed outlier: 3.679A pdb=" N GLU 5 45 " --> pdb=" O SER 5 41 " (cutoff:3.500A) Processing helix chain '5' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 5 58 " --> pdb=" O THR 5 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 5 59 " --> pdb=" O MET 5 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 5 60 " --> pdb=" O LEU 5 56 " (cutoff:3.500A) Proline residue: 5 61 - end of helix Processing helix chain '5' and resid 62 through 85 Proline residue: 5 85 - end of helix Processing helix chain '5' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 5 105 " --> pdb=" O GLY 5 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY 5 106 " --> pdb=" O SER 5 102 " (cutoff:3.500A) Processing helix chain '5' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 5 120 " --> pdb=" O GLY 5 116 " (cutoff:3.500A) Processing helix chain '5' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 5 129 " --> pdb=" O PRO 5 125 " (cutoff:3.500A) Processing helix chain '5' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 5 153 " --> pdb=" O SER 5 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 5 154 " --> pdb=" O ILE 5 150 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 149 through 154' Processing helix chain '5' and resid 160 through 176 Processing helix chain '5' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU 5 190 " --> pdb=" O THR 5 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 5 191 " --> pdb=" O GLU 5 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA 5 194 " --> pdb=" O LEU 5 190 " (cutoff:3.500A) Processing helix chain '5' and resid 195 through 206 Processing helix chain '5' and resid 210 through 219 Processing helix chain '6' and resid 16 through 29 Processing helix chain '6' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 6 37 " --> pdb=" O SER 6 33 " (cutoff:3.500A) Proline residue: 6 38 - end of helix removed outlier: 3.680A pdb=" N GLU 6 45 " --> pdb=" O SER 6 41 " (cutoff:3.500A) Processing helix chain '6' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 6 58 " --> pdb=" O THR 6 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 6 59 " --> pdb=" O MET 6 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 6 60 " --> pdb=" O LEU 6 56 " (cutoff:3.500A) Proline residue: 6 61 - end of helix Processing helix chain '6' and resid 62 through 85 Proline residue: 6 85 - end of helix Processing helix chain '6' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA 6 105 " --> pdb=" O GLY 6 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 6 106 " --> pdb=" O SER 6 102 " (cutoff:3.500A) Processing helix chain '6' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 6 120 " --> pdb=" O GLY 6 116 " (cutoff:3.500A) Processing helix chain '6' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 6 129 " --> pdb=" O PRO 6 125 " (cutoff:3.500A) Processing helix chain '6' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 6 153 " --> pdb=" O SER 6 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 6 154 " --> pdb=" O ILE 6 150 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 149 through 154' Processing helix chain '6' and resid 160 through 176 Processing helix chain '6' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU 6 190 " --> pdb=" O THR 6 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 6 191 " --> pdb=" O GLU 6 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA 6 194 " --> pdb=" O LEU 6 190 " (cutoff:3.500A) Processing helix chain '6' and resid 195 through 206 Processing helix chain '6' and resid 210 through 219 Processing helix chain '7' and resid 16 through 29 Processing helix chain '7' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 7 37 " --> pdb=" O SER 7 33 " (cutoff:3.500A) Proline residue: 7 38 - end of helix removed outlier: 3.679A pdb=" N GLU 7 45 " --> pdb=" O SER 7 41 " (cutoff:3.500A) Processing helix chain '7' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR 7 58 " --> pdb=" O THR 7 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 7 59 " --> pdb=" O MET 7 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 7 60 " --> pdb=" O LEU 7 56 " (cutoff:3.500A) Proline residue: 7 61 - end of helix Processing helix chain '7' and resid 62 through 85 Proline residue: 7 85 - end of helix Processing helix chain '7' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA 7 105 " --> pdb=" O GLY 7 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 7 106 " --> pdb=" O SER 7 102 " (cutoff:3.500A) Processing helix chain '7' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS 7 120 " --> pdb=" O GLY 7 116 " (cutoff:3.500A) Processing helix chain '7' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 7 129 " --> pdb=" O PRO 7 125 " (cutoff:3.500A) Processing helix chain '7' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 7 153 " --> pdb=" O SER 7 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 7 154 " --> pdb=" O ILE 7 150 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 149 through 154' Processing helix chain '7' and resid 160 through 176 Processing helix chain '7' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU 7 190 " --> pdb=" O THR 7 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 7 191 " --> pdb=" O GLU 7 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 7 194 " --> pdb=" O LEU 7 190 " (cutoff:3.500A) Processing helix chain '7' and resid 195 through 206 Processing helix chain '7' and resid 210 through 219 Processing helix chain '8' and resid 16 through 29 Processing helix chain '8' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 8 37 " --> pdb=" O SER 8 33 " (cutoff:3.500A) Proline residue: 8 38 - end of helix removed outlier: 3.679A pdb=" N GLU 8 45 " --> pdb=" O SER 8 41 " (cutoff:3.500A) Processing helix chain '8' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 8 58 " --> pdb=" O THR 8 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 8 59 " --> pdb=" O MET 8 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 8 60 " --> pdb=" O LEU 8 56 " (cutoff:3.500A) Proline residue: 8 61 - end of helix Processing helix chain '8' and resid 62 through 85 Proline residue: 8 85 - end of helix Processing helix chain '8' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 8 105 " --> pdb=" O GLY 8 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY 8 106 " --> pdb=" O SER 8 102 " (cutoff:3.500A) Processing helix chain '8' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 8 120 " --> pdb=" O GLY 8 116 " (cutoff:3.500A) Processing helix chain '8' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 8 129 " --> pdb=" O PRO 8 125 " (cutoff:3.500A) Processing helix chain '8' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 8 153 " --> pdb=" O SER 8 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 8 154 " --> pdb=" O ILE 8 150 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 149 through 154' Processing helix chain '8' and resid 160 through 176 Processing helix chain '8' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU 8 190 " --> pdb=" O THR 8 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 8 191 " --> pdb=" O GLU 8 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 8 194 " --> pdb=" O LEU 8 190 " (cutoff:3.500A) Processing helix chain '8' and resid 195 through 206 Processing helix chain '8' and resid 210 through 219 Processing helix chain '9' and resid 16 through 29 Processing helix chain '9' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE 9 37 " --> pdb=" O SER 9 33 " (cutoff:3.500A) Proline residue: 9 38 - end of helix removed outlier: 3.679A pdb=" N GLU 9 45 " --> pdb=" O SER 9 41 " (cutoff:3.500A) Processing helix chain '9' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR 9 58 " --> pdb=" O THR 9 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL 9 59 " --> pdb=" O MET 9 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA 9 60 " --> pdb=" O LEU 9 56 " (cutoff:3.500A) Proline residue: 9 61 - end of helix Processing helix chain '9' and resid 62 through 85 Proline residue: 9 85 - end of helix Processing helix chain '9' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA 9 105 " --> pdb=" O GLY 9 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY 9 106 " --> pdb=" O SER 9 102 " (cutoff:3.500A) Processing helix chain '9' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS 9 120 " --> pdb=" O GLY 9 116 " (cutoff:3.500A) Processing helix chain '9' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE 9 129 " --> pdb=" O PRO 9 125 " (cutoff:3.500A) Processing helix chain '9' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE 9 153 " --> pdb=" O SER 9 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG 9 154 " --> pdb=" O ILE 9 150 " (cutoff:3.500A) No H-bonds generated for 'chain '9' and resid 149 through 154' Processing helix chain '9' and resid 160 through 176 Processing helix chain '9' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU 9 190 " --> pdb=" O THR 9 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL 9 191 " --> pdb=" O GLU 9 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA 9 194 " --> pdb=" O LEU 9 190 " (cutoff:3.500A) Processing helix chain '9' and resid 195 through 206 Processing helix chain '9' and resid 210 through 219 Processing helix chain 'a' and resid 16 through 29 Processing helix chain 'a' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE a 37 " --> pdb=" O SER a 33 " (cutoff:3.500A) Proline residue: a 38 - end of helix removed outlier: 3.679A pdb=" N GLU a 45 " --> pdb=" O SER a 41 " (cutoff:3.500A) Processing helix chain 'a' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR a 58 " --> pdb=" O THR a 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL a 59 " --> pdb=" O MET a 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA a 60 " --> pdb=" O LEU a 56 " (cutoff:3.500A) Proline residue: a 61 - end of helix Processing helix chain 'a' and resid 62 through 85 Proline residue: a 85 - end of helix Processing helix chain 'a' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA a 105 " --> pdb=" O GLY a 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY a 106 " --> pdb=" O SER a 102 " (cutoff:3.500A) Processing helix chain 'a' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS a 120 " --> pdb=" O GLY a 116 " (cutoff:3.500A) Processing helix chain 'a' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE a 129 " --> pdb=" O PRO a 125 " (cutoff:3.500A) Processing helix chain 'a' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE a 153 " --> pdb=" O SER a 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG a 154 " --> pdb=" O ILE a 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 149 through 154' Processing helix chain 'a' and resid 160 through 176 Processing helix chain 'a' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU a 190 " --> pdb=" O THR a 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL a 191 " --> pdb=" O GLU a 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA a 194 " --> pdb=" O LEU a 190 " (cutoff:3.500A) Processing helix chain 'a' and resid 195 through 206 Processing helix chain 'a' and resid 210 through 219 Processing helix chain 'b' and resid 16 through 29 Processing helix chain 'b' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE b 37 " --> pdb=" O SER b 33 " (cutoff:3.500A) Proline residue: b 38 - end of helix removed outlier: 3.680A pdb=" N GLU b 45 " --> pdb=" O SER b 41 " (cutoff:3.500A) Processing helix chain 'b' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR b 58 " --> pdb=" O THR b 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL b 59 " --> pdb=" O MET b 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA b 60 " --> pdb=" O LEU b 56 " (cutoff:3.500A) Proline residue: b 61 - end of helix Processing helix chain 'b' and resid 62 through 85 Proline residue: b 85 - end of helix Processing helix chain 'b' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA b 105 " --> pdb=" O GLY b 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY b 106 " --> pdb=" O SER b 102 " (cutoff:3.500A) Processing helix chain 'b' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS b 120 " --> pdb=" O GLY b 116 " (cutoff:3.500A) Processing helix chain 'b' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE b 129 " --> pdb=" O PRO b 125 " (cutoff:3.500A) Processing helix chain 'b' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE b 153 " --> pdb=" O SER b 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG b 154 " --> pdb=" O ILE b 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 149 through 154' Processing helix chain 'b' and resid 160 through 176 Processing helix chain 'b' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU b 190 " --> pdb=" O THR b 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL b 191 " --> pdb=" O GLU b 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA b 194 " --> pdb=" O LEU b 190 " (cutoff:3.500A) Processing helix chain 'b' and resid 195 through 206 Processing helix chain 'b' and resid 210 through 219 Processing helix chain 'c' and resid 16 through 29 Processing helix chain 'c' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE c 37 " --> pdb=" O SER c 33 " (cutoff:3.500A) Proline residue: c 38 - end of helix removed outlier: 3.679A pdb=" N GLU c 45 " --> pdb=" O SER c 41 " (cutoff:3.500A) Processing helix chain 'c' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR c 58 " --> pdb=" O THR c 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL c 59 " --> pdb=" O MET c 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA c 60 " --> pdb=" O LEU c 56 " (cutoff:3.500A) Proline residue: c 61 - end of helix Processing helix chain 'c' and resid 62 through 85 Proline residue: c 85 - end of helix Processing helix chain 'c' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA c 105 " --> pdb=" O GLY c 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY c 106 " --> pdb=" O SER c 102 " (cutoff:3.500A) Processing helix chain 'c' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS c 120 " --> pdb=" O GLY c 116 " (cutoff:3.500A) Processing helix chain 'c' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE c 129 " --> pdb=" O PRO c 125 " (cutoff:3.500A) Processing helix chain 'c' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE c 153 " --> pdb=" O SER c 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG c 154 " --> pdb=" O ILE c 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 149 through 154' Processing helix chain 'c' and resid 160 through 176 Processing helix chain 'c' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU c 190 " --> pdb=" O THR c 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL c 191 " --> pdb=" O GLU c 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA c 194 " --> pdb=" O LEU c 190 " (cutoff:3.500A) Processing helix chain 'c' and resid 195 through 206 Processing helix chain 'c' and resid 210 through 219 Processing helix chain 'd' and resid 16 through 29 Processing helix chain 'd' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE d 37 " --> pdb=" O SER d 33 " (cutoff:3.500A) Proline residue: d 38 - end of helix removed outlier: 3.679A pdb=" N GLU d 45 " --> pdb=" O SER d 41 " (cutoff:3.500A) Processing helix chain 'd' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR d 58 " --> pdb=" O THR d 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL d 59 " --> pdb=" O MET d 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA d 60 " --> pdb=" O LEU d 56 " (cutoff:3.500A) Proline residue: d 61 - end of helix Processing helix chain 'd' and resid 62 through 85 Proline residue: d 85 - end of helix Processing helix chain 'd' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA d 105 " --> pdb=" O GLY d 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY d 106 " --> pdb=" O SER d 102 " (cutoff:3.500A) Processing helix chain 'd' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS d 120 " --> pdb=" O GLY d 116 " (cutoff:3.500A) Processing helix chain 'd' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE d 129 " --> pdb=" O PRO d 125 " (cutoff:3.500A) Processing helix chain 'd' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE d 153 " --> pdb=" O SER d 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG d 154 " --> pdb=" O ILE d 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 149 through 154' Processing helix chain 'd' and resid 160 through 176 Processing helix chain 'd' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU d 190 " --> pdb=" O THR d 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL d 191 " --> pdb=" O GLU d 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA d 194 " --> pdb=" O LEU d 190 " (cutoff:3.500A) Processing helix chain 'd' and resid 195 through 206 Processing helix chain 'd' and resid 210 through 219 Processing helix chain 'e' and resid 16 through 29 Processing helix chain 'e' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE e 37 " --> pdb=" O SER e 33 " (cutoff:3.500A) Proline residue: e 38 - end of helix removed outlier: 3.679A pdb=" N GLU e 45 " --> pdb=" O SER e 41 " (cutoff:3.500A) Processing helix chain 'e' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR e 58 " --> pdb=" O THR e 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL e 59 " --> pdb=" O MET e 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA e 60 " --> pdb=" O LEU e 56 " (cutoff:3.500A) Proline residue: e 61 - end of helix Processing helix chain 'e' and resid 62 through 85 Proline residue: e 85 - end of helix Processing helix chain 'e' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA e 105 " --> pdb=" O GLY e 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY e 106 " --> pdb=" O SER e 102 " (cutoff:3.500A) Processing helix chain 'e' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS e 120 " --> pdb=" O GLY e 116 " (cutoff:3.500A) Processing helix chain 'e' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE e 129 " --> pdb=" O PRO e 125 " (cutoff:3.500A) Processing helix chain 'e' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE e 153 " --> pdb=" O SER e 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG e 154 " --> pdb=" O ILE e 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 149 through 154' Processing helix chain 'e' and resid 160 through 176 Processing helix chain 'e' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU e 190 " --> pdb=" O THR e 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL e 191 " --> pdb=" O GLU e 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA e 194 " --> pdb=" O LEU e 190 " (cutoff:3.500A) Processing helix chain 'e' and resid 195 through 206 Processing helix chain 'e' and resid 210 through 219 Processing helix chain 'f' and resid 16 through 29 Processing helix chain 'f' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE f 37 " --> pdb=" O SER f 33 " (cutoff:3.500A) Proline residue: f 38 - end of helix removed outlier: 3.679A pdb=" N GLU f 45 " --> pdb=" O SER f 41 " (cutoff:3.500A) Processing helix chain 'f' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR f 58 " --> pdb=" O THR f 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL f 59 " --> pdb=" O MET f 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA f 60 " --> pdb=" O LEU f 56 " (cutoff:3.500A) Proline residue: f 61 - end of helix Processing helix chain 'f' and resid 62 through 85 Proline residue: f 85 - end of helix Processing helix chain 'f' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA f 105 " --> pdb=" O GLY f 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY f 106 " --> pdb=" O SER f 102 " (cutoff:3.500A) Processing helix chain 'f' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS f 120 " --> pdb=" O GLY f 116 " (cutoff:3.500A) Processing helix chain 'f' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE f 129 " --> pdb=" O PRO f 125 " (cutoff:3.500A) Processing helix chain 'f' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE f 153 " --> pdb=" O SER f 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG f 154 " --> pdb=" O ILE f 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 149 through 154' Processing helix chain 'f' and resid 160 through 176 Processing helix chain 'f' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU f 190 " --> pdb=" O THR f 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL f 191 " --> pdb=" O GLU f 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA f 194 " --> pdb=" O LEU f 190 " (cutoff:3.500A) Processing helix chain 'f' and resid 195 through 206 Processing helix chain 'f' and resid 210 through 219 Processing helix chain 'g' and resid 16 through 29 Processing helix chain 'g' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE g 37 " --> pdb=" O SER g 33 " (cutoff:3.500A) Proline residue: g 38 - end of helix removed outlier: 3.680A pdb=" N GLU g 45 " --> pdb=" O SER g 41 " (cutoff:3.500A) Processing helix chain 'g' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR g 58 " --> pdb=" O THR g 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL g 59 " --> pdb=" O MET g 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA g 60 " --> pdb=" O LEU g 56 " (cutoff:3.500A) Proline residue: g 61 - end of helix Processing helix chain 'g' and resid 62 through 85 Proline residue: g 85 - end of helix Processing helix chain 'g' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA g 105 " --> pdb=" O GLY g 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY g 106 " --> pdb=" O SER g 102 " (cutoff:3.500A) Processing helix chain 'g' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS g 120 " --> pdb=" O GLY g 116 " (cutoff:3.500A) Processing helix chain 'g' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE g 129 " --> pdb=" O PRO g 125 " (cutoff:3.500A) Processing helix chain 'g' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE g 153 " --> pdb=" O SER g 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG g 154 " --> pdb=" O ILE g 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 149 through 154' Processing helix chain 'g' and resid 160 through 176 Processing helix chain 'g' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU g 190 " --> pdb=" O THR g 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL g 191 " --> pdb=" O GLU g 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA g 194 " --> pdb=" O LEU g 190 " (cutoff:3.500A) Processing helix chain 'g' and resid 195 through 206 Processing helix chain 'g' and resid 210 through 219 Processing helix chain 'h' and resid 16 through 29 Processing helix chain 'h' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE h 37 " --> pdb=" O SER h 33 " (cutoff:3.500A) Proline residue: h 38 - end of helix removed outlier: 3.679A pdb=" N GLU h 45 " --> pdb=" O SER h 41 " (cutoff:3.500A) Processing helix chain 'h' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR h 58 " --> pdb=" O THR h 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL h 59 " --> pdb=" O MET h 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA h 60 " --> pdb=" O LEU h 56 " (cutoff:3.500A) Proline residue: h 61 - end of helix Processing helix chain 'h' and resid 62 through 85 Proline residue: h 85 - end of helix Processing helix chain 'h' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA h 105 " --> pdb=" O GLY h 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY h 106 " --> pdb=" O SER h 102 " (cutoff:3.500A) Processing helix chain 'h' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS h 120 " --> pdb=" O GLY h 116 " (cutoff:3.500A) Processing helix chain 'h' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE h 129 " --> pdb=" O PRO h 125 " (cutoff:3.500A) Processing helix chain 'h' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE h 153 " --> pdb=" O SER h 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG h 154 " --> pdb=" O ILE h 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 149 through 154' Processing helix chain 'h' and resid 160 through 176 Processing helix chain 'h' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU h 190 " --> pdb=" O THR h 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL h 191 " --> pdb=" O GLU h 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA h 194 " --> pdb=" O LEU h 190 " (cutoff:3.500A) Processing helix chain 'h' and resid 195 through 206 Processing helix chain 'h' and resid 210 through 219 Processing helix chain 'i' and resid 16 through 29 Processing helix chain 'i' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE i 37 " --> pdb=" O SER i 33 " (cutoff:3.500A) Proline residue: i 38 - end of helix removed outlier: 3.679A pdb=" N GLU i 45 " --> pdb=" O SER i 41 " (cutoff:3.500A) Processing helix chain 'i' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR i 58 " --> pdb=" O THR i 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL i 59 " --> pdb=" O MET i 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA i 60 " --> pdb=" O LEU i 56 " (cutoff:3.500A) Proline residue: i 61 - end of helix Processing helix chain 'i' and resid 62 through 85 Proline residue: i 85 - end of helix Processing helix chain 'i' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA i 105 " --> pdb=" O GLY i 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY i 106 " --> pdb=" O SER i 102 " (cutoff:3.500A) Processing helix chain 'i' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS i 120 " --> pdb=" O GLY i 116 " (cutoff:3.500A) Processing helix chain 'i' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE i 129 " --> pdb=" O PRO i 125 " (cutoff:3.500A) Processing helix chain 'i' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE i 153 " --> pdb=" O SER i 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG i 154 " --> pdb=" O ILE i 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 149 through 154' Processing helix chain 'i' and resid 160 through 176 Processing helix chain 'i' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU i 190 " --> pdb=" O THR i 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL i 191 " --> pdb=" O GLU i 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA i 194 " --> pdb=" O LEU i 190 " (cutoff:3.500A) Processing helix chain 'i' and resid 195 through 206 Processing helix chain 'i' and resid 210 through 219 Processing helix chain 'j' and resid 16 through 29 Processing helix chain 'j' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE j 37 " --> pdb=" O SER j 33 " (cutoff:3.500A) Proline residue: j 38 - end of helix removed outlier: 3.679A pdb=" N GLU j 45 " --> pdb=" O SER j 41 " (cutoff:3.500A) Processing helix chain 'j' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR j 58 " --> pdb=" O THR j 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL j 59 " --> pdb=" O MET j 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA j 60 " --> pdb=" O LEU j 56 " (cutoff:3.500A) Proline residue: j 61 - end of helix Processing helix chain 'j' and resid 62 through 85 Proline residue: j 85 - end of helix Processing helix chain 'j' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA j 105 " --> pdb=" O GLY j 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY j 106 " --> pdb=" O SER j 102 " (cutoff:3.500A) Processing helix chain 'j' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS j 120 " --> pdb=" O GLY j 116 " (cutoff:3.500A) Processing helix chain 'j' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE j 129 " --> pdb=" O PRO j 125 " (cutoff:3.500A) Processing helix chain 'j' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE j 153 " --> pdb=" O SER j 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG j 154 " --> pdb=" O ILE j 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 149 through 154' Processing helix chain 'j' and resid 160 through 176 Processing helix chain 'j' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU j 190 " --> pdb=" O THR j 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL j 191 " --> pdb=" O GLU j 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA j 194 " --> pdb=" O LEU j 190 " (cutoff:3.500A) Processing helix chain 'j' and resid 195 through 206 Processing helix chain 'j' and resid 210 through 219 Processing helix chain 'k' and resid 16 through 29 Processing helix chain 'k' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE k 37 " --> pdb=" O SER k 33 " (cutoff:3.500A) Proline residue: k 38 - end of helix removed outlier: 3.679A pdb=" N GLU k 45 " --> pdb=" O SER k 41 " (cutoff:3.500A) Processing helix chain 'k' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR k 58 " --> pdb=" O THR k 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL k 59 " --> pdb=" O MET k 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA k 60 " --> pdb=" O LEU k 56 " (cutoff:3.500A) Proline residue: k 61 - end of helix Processing helix chain 'k' and resid 62 through 85 Proline residue: k 85 - end of helix Processing helix chain 'k' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA k 105 " --> pdb=" O GLY k 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY k 106 " --> pdb=" O SER k 102 " (cutoff:3.500A) Processing helix chain 'k' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS k 120 " --> pdb=" O GLY k 116 " (cutoff:3.500A) Processing helix chain 'k' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE k 129 " --> pdb=" O PRO k 125 " (cutoff:3.500A) Processing helix chain 'k' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE k 153 " --> pdb=" O SER k 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG k 154 " --> pdb=" O ILE k 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 149 through 154' Processing helix chain 'k' and resid 160 through 176 Processing helix chain 'k' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU k 190 " --> pdb=" O THR k 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL k 191 " --> pdb=" O GLU k 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA k 194 " --> pdb=" O LEU k 190 " (cutoff:3.500A) Processing helix chain 'k' and resid 195 through 206 Processing helix chain 'k' and resid 210 through 219 Processing helix chain 'l' and resid 16 through 29 Processing helix chain 'l' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE l 37 " --> pdb=" O SER l 33 " (cutoff:3.500A) Proline residue: l 38 - end of helix removed outlier: 3.680A pdb=" N GLU l 45 " --> pdb=" O SER l 41 " (cutoff:3.500A) Processing helix chain 'l' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR l 58 " --> pdb=" O THR l 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL l 59 " --> pdb=" O MET l 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA l 60 " --> pdb=" O LEU l 56 " (cutoff:3.500A) Proline residue: l 61 - end of helix Processing helix chain 'l' and resid 62 through 85 Proline residue: l 85 - end of helix Processing helix chain 'l' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA l 105 " --> pdb=" O GLY l 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY l 106 " --> pdb=" O SER l 102 " (cutoff:3.500A) Processing helix chain 'l' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS l 120 " --> pdb=" O GLY l 116 " (cutoff:3.500A) Processing helix chain 'l' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE l 129 " --> pdb=" O PRO l 125 " (cutoff:3.500A) Processing helix chain 'l' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE l 153 " --> pdb=" O SER l 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG l 154 " --> pdb=" O ILE l 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 149 through 154' Processing helix chain 'l' and resid 160 through 176 Processing helix chain 'l' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU l 190 " --> pdb=" O THR l 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL l 191 " --> pdb=" O GLU l 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA l 194 " --> pdb=" O LEU l 190 " (cutoff:3.500A) Processing helix chain 'l' and resid 195 through 206 Processing helix chain 'l' and resid 210 through 219 Processing helix chain 'm' and resid 16 through 29 Processing helix chain 'm' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE m 37 " --> pdb=" O SER m 33 " (cutoff:3.500A) Proline residue: m 38 - end of helix removed outlier: 3.679A pdb=" N GLU m 45 " --> pdb=" O SER m 41 " (cutoff:3.500A) Processing helix chain 'm' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR m 58 " --> pdb=" O THR m 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL m 59 " --> pdb=" O MET m 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA m 60 " --> pdb=" O LEU m 56 " (cutoff:3.500A) Proline residue: m 61 - end of helix Processing helix chain 'm' and resid 62 through 85 Proline residue: m 85 - end of helix Processing helix chain 'm' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA m 105 " --> pdb=" O GLY m 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY m 106 " --> pdb=" O SER m 102 " (cutoff:3.500A) Processing helix chain 'm' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS m 120 " --> pdb=" O GLY m 116 " (cutoff:3.500A) Processing helix chain 'm' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE m 129 " --> pdb=" O PRO m 125 " (cutoff:3.500A) Processing helix chain 'm' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE m 153 " --> pdb=" O SER m 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG m 154 " --> pdb=" O ILE m 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 149 through 154' Processing helix chain 'm' and resid 160 through 176 Processing helix chain 'm' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU m 190 " --> pdb=" O THR m 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL m 191 " --> pdb=" O GLU m 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA m 194 " --> pdb=" O LEU m 190 " (cutoff:3.500A) Processing helix chain 'm' and resid 195 through 206 Processing helix chain 'm' and resid 210 through 219 Processing helix chain 'n' and resid 16 through 29 Processing helix chain 'n' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE n 37 " --> pdb=" O SER n 33 " (cutoff:3.500A) Proline residue: n 38 - end of helix removed outlier: 3.679A pdb=" N GLU n 45 " --> pdb=" O SER n 41 " (cutoff:3.500A) Processing helix chain 'n' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR n 58 " --> pdb=" O THR n 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL n 59 " --> pdb=" O MET n 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA n 60 " --> pdb=" O LEU n 56 " (cutoff:3.500A) Proline residue: n 61 - end of helix Processing helix chain 'n' and resid 62 through 85 Proline residue: n 85 - end of helix Processing helix chain 'n' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA n 105 " --> pdb=" O GLY n 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY n 106 " --> pdb=" O SER n 102 " (cutoff:3.500A) Processing helix chain 'n' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS n 120 " --> pdb=" O GLY n 116 " (cutoff:3.500A) Processing helix chain 'n' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE n 129 " --> pdb=" O PRO n 125 " (cutoff:3.500A) Processing helix chain 'n' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE n 153 " --> pdb=" O SER n 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG n 154 " --> pdb=" O ILE n 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 149 through 154' Processing helix chain 'n' and resid 160 through 176 Processing helix chain 'n' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU n 190 " --> pdb=" O THR n 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL n 191 " --> pdb=" O GLU n 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA n 194 " --> pdb=" O LEU n 190 " (cutoff:3.500A) Processing helix chain 'n' and resid 195 through 206 Processing helix chain 'n' and resid 210 through 219 Processing helix chain 'o' and resid 16 through 29 Processing helix chain 'o' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE o 37 " --> pdb=" O SER o 33 " (cutoff:3.500A) Proline residue: o 38 - end of helix removed outlier: 3.679A pdb=" N GLU o 45 " --> pdb=" O SER o 41 " (cutoff:3.500A) Processing helix chain 'o' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR o 58 " --> pdb=" O THR o 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL o 59 " --> pdb=" O MET o 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA o 60 " --> pdb=" O LEU o 56 " (cutoff:3.500A) Proline residue: o 61 - end of helix Processing helix chain 'o' and resid 62 through 85 Proline residue: o 85 - end of helix Processing helix chain 'o' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA o 105 " --> pdb=" O GLY o 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY o 106 " --> pdb=" O SER o 102 " (cutoff:3.500A) Processing helix chain 'o' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS o 120 " --> pdb=" O GLY o 116 " (cutoff:3.500A) Processing helix chain 'o' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE o 129 " --> pdb=" O PRO o 125 " (cutoff:3.500A) Processing helix chain 'o' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE o 153 " --> pdb=" O SER o 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG o 154 " --> pdb=" O ILE o 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 149 through 154' Processing helix chain 'o' and resid 160 through 176 Processing helix chain 'o' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU o 190 " --> pdb=" O THR o 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL o 191 " --> pdb=" O GLU o 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA o 194 " --> pdb=" O LEU o 190 " (cutoff:3.500A) Processing helix chain 'o' and resid 195 through 206 Processing helix chain 'o' and resid 210 through 219 Processing helix chain 'p' and resid 16 through 29 Processing helix chain 'p' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE p 37 " --> pdb=" O SER p 33 " (cutoff:3.500A) Proline residue: p 38 - end of helix removed outlier: 3.679A pdb=" N GLU p 45 " --> pdb=" O SER p 41 " (cutoff:3.500A) Processing helix chain 'p' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR p 58 " --> pdb=" O THR p 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL p 59 " --> pdb=" O MET p 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA p 60 " --> pdb=" O LEU p 56 " (cutoff:3.500A) Proline residue: p 61 - end of helix Processing helix chain 'p' and resid 62 through 85 Proline residue: p 85 - end of helix Processing helix chain 'p' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA p 105 " --> pdb=" O GLY p 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY p 106 " --> pdb=" O SER p 102 " (cutoff:3.500A) Processing helix chain 'p' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS p 120 " --> pdb=" O GLY p 116 " (cutoff:3.500A) Processing helix chain 'p' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE p 129 " --> pdb=" O PRO p 125 " (cutoff:3.500A) Processing helix chain 'p' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE p 153 " --> pdb=" O SER p 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG p 154 " --> pdb=" O ILE p 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 149 through 154' Processing helix chain 'p' and resid 160 through 176 Processing helix chain 'p' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU p 190 " --> pdb=" O THR p 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL p 191 " --> pdb=" O GLU p 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA p 194 " --> pdb=" O LEU p 190 " (cutoff:3.500A) Processing helix chain 'p' and resid 195 through 206 Processing helix chain 'p' and resid 210 through 219 Processing helix chain 'q' and resid 16 through 29 Processing helix chain 'q' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE q 37 " --> pdb=" O SER q 33 " (cutoff:3.500A) Proline residue: q 38 - end of helix removed outlier: 3.680A pdb=" N GLU q 45 " --> pdb=" O SER q 41 " (cutoff:3.500A) Processing helix chain 'q' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR q 58 " --> pdb=" O THR q 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL q 59 " --> pdb=" O MET q 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA q 60 " --> pdb=" O LEU q 56 " (cutoff:3.500A) Proline residue: q 61 - end of helix Processing helix chain 'q' and resid 62 through 85 Proline residue: q 85 - end of helix Processing helix chain 'q' and resid 100 through 106 removed outlier: 3.546A pdb=" N ALA q 105 " --> pdb=" O GLY q 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY q 106 " --> pdb=" O SER q 102 " (cutoff:3.500A) Processing helix chain 'q' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS q 120 " --> pdb=" O GLY q 116 " (cutoff:3.500A) Processing helix chain 'q' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE q 129 " --> pdb=" O PRO q 125 " (cutoff:3.500A) Processing helix chain 'q' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE q 153 " --> pdb=" O SER q 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG q 154 " --> pdb=" O ILE q 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 149 through 154' Processing helix chain 'q' and resid 160 through 176 Processing helix chain 'q' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU q 190 " --> pdb=" O THR q 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL q 191 " --> pdb=" O GLU q 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA q 194 " --> pdb=" O LEU q 190 " (cutoff:3.500A) Processing helix chain 'q' and resid 195 through 206 Processing helix chain 'q' and resid 210 through 219 Processing helix chain 'r' and resid 16 through 29 Processing helix chain 'r' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE r 37 " --> pdb=" O SER r 33 " (cutoff:3.500A) Proline residue: r 38 - end of helix removed outlier: 3.679A pdb=" N GLU r 45 " --> pdb=" O SER r 41 " (cutoff:3.500A) Processing helix chain 'r' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR r 58 " --> pdb=" O THR r 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL r 59 " --> pdb=" O MET r 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA r 60 " --> pdb=" O LEU r 56 " (cutoff:3.500A) Proline residue: r 61 - end of helix Processing helix chain 'r' and resid 62 through 85 Proline residue: r 85 - end of helix Processing helix chain 'r' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA r 105 " --> pdb=" O GLY r 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY r 106 " --> pdb=" O SER r 102 " (cutoff:3.500A) Processing helix chain 'r' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS r 120 " --> pdb=" O GLY r 116 " (cutoff:3.500A) Processing helix chain 'r' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE r 129 " --> pdb=" O PRO r 125 " (cutoff:3.500A) Processing helix chain 'r' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE r 153 " --> pdb=" O SER r 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG r 154 " --> pdb=" O ILE r 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 149 through 154' Processing helix chain 'r' and resid 160 through 176 Processing helix chain 'r' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU r 190 " --> pdb=" O THR r 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL r 191 " --> pdb=" O GLU r 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA r 194 " --> pdb=" O LEU r 190 " (cutoff:3.500A) Processing helix chain 'r' and resid 195 through 206 Processing helix chain 'r' and resid 210 through 219 Processing helix chain 's' and resid 16 through 29 Processing helix chain 's' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE s 37 " --> pdb=" O SER s 33 " (cutoff:3.500A) Proline residue: s 38 - end of helix removed outlier: 3.679A pdb=" N GLU s 45 " --> pdb=" O SER s 41 " (cutoff:3.500A) Processing helix chain 's' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR s 58 " --> pdb=" O THR s 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL s 59 " --> pdb=" O MET s 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA s 60 " --> pdb=" O LEU s 56 " (cutoff:3.500A) Proline residue: s 61 - end of helix Processing helix chain 's' and resid 62 through 85 Proline residue: s 85 - end of helix Processing helix chain 's' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA s 105 " --> pdb=" O GLY s 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY s 106 " --> pdb=" O SER s 102 " (cutoff:3.500A) Processing helix chain 's' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS s 120 " --> pdb=" O GLY s 116 " (cutoff:3.500A) Processing helix chain 's' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE s 129 " --> pdb=" O PRO s 125 " (cutoff:3.500A) Processing helix chain 's' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE s 153 " --> pdb=" O SER s 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG s 154 " --> pdb=" O ILE s 150 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 149 through 154' Processing helix chain 's' and resid 160 through 176 Processing helix chain 's' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU s 190 " --> pdb=" O THR s 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL s 191 " --> pdb=" O GLU s 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA s 194 " --> pdb=" O LEU s 190 " (cutoff:3.500A) Processing helix chain 's' and resid 195 through 206 Processing helix chain 's' and resid 210 through 219 Processing helix chain 't' and resid 16 through 29 Processing helix chain 't' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE t 37 " --> pdb=" O SER t 33 " (cutoff:3.500A) Proline residue: t 38 - end of helix removed outlier: 3.679A pdb=" N GLU t 45 " --> pdb=" O SER t 41 " (cutoff:3.500A) Processing helix chain 't' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR t 58 " --> pdb=" O THR t 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL t 59 " --> pdb=" O MET t 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA t 60 " --> pdb=" O LEU t 56 " (cutoff:3.500A) Proline residue: t 61 - end of helix Processing helix chain 't' and resid 62 through 85 Proline residue: t 85 - end of helix Processing helix chain 't' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA t 105 " --> pdb=" O GLY t 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY t 106 " --> pdb=" O SER t 102 " (cutoff:3.500A) Processing helix chain 't' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS t 120 " --> pdb=" O GLY t 116 " (cutoff:3.500A) Processing helix chain 't' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE t 129 " --> pdb=" O PRO t 125 " (cutoff:3.500A) Processing helix chain 't' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE t 153 " --> pdb=" O SER t 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG t 154 " --> pdb=" O ILE t 150 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 149 through 154' Processing helix chain 't' and resid 160 through 176 Processing helix chain 't' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU t 190 " --> pdb=" O THR t 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL t 191 " --> pdb=" O GLU t 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA t 194 " --> pdb=" O LEU t 190 " (cutoff:3.500A) Processing helix chain 't' and resid 195 through 206 Processing helix chain 't' and resid 210 through 219 Processing helix chain 'u' and resid 16 through 29 Processing helix chain 'u' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE u 37 " --> pdb=" O SER u 33 " (cutoff:3.500A) Proline residue: u 38 - end of helix removed outlier: 3.679A pdb=" N GLU u 45 " --> pdb=" O SER u 41 " (cutoff:3.500A) Processing helix chain 'u' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR u 58 " --> pdb=" O THR u 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL u 59 " --> pdb=" O MET u 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA u 60 " --> pdb=" O LEU u 56 " (cutoff:3.500A) Proline residue: u 61 - end of helix Processing helix chain 'u' and resid 62 through 85 Proline residue: u 85 - end of helix Processing helix chain 'u' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA u 105 " --> pdb=" O GLY u 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY u 106 " --> pdb=" O SER u 102 " (cutoff:3.500A) Processing helix chain 'u' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS u 120 " --> pdb=" O GLY u 116 " (cutoff:3.500A) Processing helix chain 'u' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE u 129 " --> pdb=" O PRO u 125 " (cutoff:3.500A) Processing helix chain 'u' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE u 153 " --> pdb=" O SER u 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG u 154 " --> pdb=" O ILE u 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 149 through 154' Processing helix chain 'u' and resid 160 through 176 Processing helix chain 'u' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU u 190 " --> pdb=" O THR u 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL u 191 " --> pdb=" O GLU u 187 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA u 194 " --> pdb=" O LEU u 190 " (cutoff:3.500A) Processing helix chain 'u' and resid 195 through 206 Processing helix chain 'u' and resid 210 through 219 Processing helix chain 'v' and resid 16 through 29 Processing helix chain 'v' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE v 37 " --> pdb=" O SER v 33 " (cutoff:3.500A) Proline residue: v 38 - end of helix removed outlier: 3.680A pdb=" N GLU v 45 " --> pdb=" O SER v 41 " (cutoff:3.500A) Processing helix chain 'v' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR v 58 " --> pdb=" O THR v 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL v 59 " --> pdb=" O MET v 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA v 60 " --> pdb=" O LEU v 56 " (cutoff:3.500A) Proline residue: v 61 - end of helix Processing helix chain 'v' and resid 62 through 85 Proline residue: v 85 - end of helix Processing helix chain 'v' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA v 105 " --> pdb=" O GLY v 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY v 106 " --> pdb=" O SER v 102 " (cutoff:3.500A) Processing helix chain 'v' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS v 120 " --> pdb=" O GLY v 116 " (cutoff:3.500A) Processing helix chain 'v' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE v 129 " --> pdb=" O PRO v 125 " (cutoff:3.500A) Processing helix chain 'v' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE v 153 " --> pdb=" O SER v 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG v 154 " --> pdb=" O ILE v 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 149 through 154' Processing helix chain 'v' and resid 160 through 176 Processing helix chain 'v' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU v 190 " --> pdb=" O THR v 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL v 191 " --> pdb=" O GLU v 187 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA v 194 " --> pdb=" O LEU v 190 " (cutoff:3.500A) Processing helix chain 'v' and resid 195 through 206 Processing helix chain 'v' and resid 210 through 219 Processing helix chain 'w' and resid 16 through 29 Processing helix chain 'w' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE w 37 " --> pdb=" O SER w 33 " (cutoff:3.500A) Proline residue: w 38 - end of helix removed outlier: 3.679A pdb=" N GLU w 45 " --> pdb=" O SER w 41 " (cutoff:3.500A) Processing helix chain 'w' and resid 48 through 61 removed outlier: 4.081A pdb=" N THR w 58 " --> pdb=" O THR w 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL w 59 " --> pdb=" O MET w 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA w 60 " --> pdb=" O LEU w 56 " (cutoff:3.500A) Proline residue: w 61 - end of helix Processing helix chain 'w' and resid 62 through 85 Proline residue: w 85 - end of helix Processing helix chain 'w' and resid 100 through 106 removed outlier: 3.544A pdb=" N ALA w 105 " --> pdb=" O GLY w 101 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY w 106 " --> pdb=" O SER w 102 " (cutoff:3.500A) Processing helix chain 'w' and resid 110 through 120 removed outlier: 4.224A pdb=" N HIS w 120 " --> pdb=" O GLY w 116 " (cutoff:3.500A) Processing helix chain 'w' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE w 129 " --> pdb=" O PRO w 125 " (cutoff:3.500A) Processing helix chain 'w' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE w 153 " --> pdb=" O SER w 149 " (cutoff:3.500A) removed outlier: 5.773A pdb=" N ARG w 154 " --> pdb=" O ILE w 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 149 through 154' Processing helix chain 'w' and resid 160 through 176 Processing helix chain 'w' and resid 178 through 194 removed outlier: 4.608A pdb=" N LEU w 190 " --> pdb=" O THR w 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL w 191 " --> pdb=" O GLU w 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA w 194 " --> pdb=" O LEU w 190 " (cutoff:3.500A) Processing helix chain 'w' and resid 195 through 206 Processing helix chain 'w' and resid 210 through 219 Processing helix chain 'x' and resid 16 through 29 Processing helix chain 'x' and resid 33 through 45 removed outlier: 4.647A pdb=" N ILE x 37 " --> pdb=" O SER x 33 " (cutoff:3.500A) Proline residue: x 38 - end of helix removed outlier: 3.679A pdb=" N GLU x 45 " --> pdb=" O SER x 41 " (cutoff:3.500A) Processing helix chain 'x' and resid 48 through 61 removed outlier: 4.082A pdb=" N THR x 58 " --> pdb=" O THR x 54 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N VAL x 59 " --> pdb=" O MET x 55 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA x 60 " --> pdb=" O LEU x 56 " (cutoff:3.500A) Proline residue: x 61 - end of helix Processing helix chain 'x' and resid 62 through 85 Proline residue: x 85 - end of helix Processing helix chain 'x' and resid 100 through 106 removed outlier: 3.545A pdb=" N ALA x 105 " --> pdb=" O GLY x 101 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLY x 106 " --> pdb=" O SER x 102 " (cutoff:3.500A) Processing helix chain 'x' and resid 110 through 120 removed outlier: 4.223A pdb=" N HIS x 120 " --> pdb=" O GLY x 116 " (cutoff:3.500A) Processing helix chain 'x' and resid 125 through 146 removed outlier: 3.814A pdb=" N ILE x 129 " --> pdb=" O PRO x 125 " (cutoff:3.500A) Processing helix chain 'x' and resid 149 through 154 removed outlier: 3.749A pdb=" N ILE x 153 " --> pdb=" O SER x 149 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N ARG x 154 " --> pdb=" O ILE x 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 149 through 154' Processing helix chain 'x' and resid 160 through 176 Processing helix chain 'x' and resid 178 through 194 removed outlier: 4.609A pdb=" N LEU x 190 " --> pdb=" O THR x 186 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N VAL x 191 " --> pdb=" O GLU x 187 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA x 194 " --> pdb=" O LEU x 190 " (cutoff:3.500A) Processing helix chain 'x' and resid 195 through 206 Processing helix chain 'x' and resid 210 through 219 Processing sheet with id= 1, first strand: chain 'A' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN A 9 " --> pdb=" O ASN A 5 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'B' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN B 9 " --> pdb=" O ASN B 5 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'C' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN C 9 " --> pdb=" O ASN C 5 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'D' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN D 9 " --> pdb=" O ASN D 5 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'E' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN E 9 " --> pdb=" O ASN E 5 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'F' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN F 9 " --> pdb=" O ASN F 5 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'G' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN G 9 " --> pdb=" O ASN G 5 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'H' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN H 9 " --> pdb=" O ASN H 5 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'I' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN I 9 " --> pdb=" O ASN I 5 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'J' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN J 9 " --> pdb=" O ASN J 5 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'K' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN K 9 " --> pdb=" O ASN K 5 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'L' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN L 9 " --> pdb=" O ASN L 5 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'M' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN M 9 " --> pdb=" O ASN M 5 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'N' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN N 9 " --> pdb=" O ASN N 5 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'O' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN O 9 " --> pdb=" O ASN O 5 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'P' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN P 9 " --> pdb=" O ASN P 5 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'Q' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN Q 9 " --> pdb=" O ASN Q 5 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'R' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN R 9 " --> pdb=" O ASN R 5 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'S' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN S 9 " --> pdb=" O ASN S 5 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'T' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN T 9 " --> pdb=" O ASN T 5 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'U' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN U 9 " --> pdb=" O ASN U 5 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'V' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN V 9 " --> pdb=" O ASN V 5 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'W' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN W 9 " --> pdb=" O ASN W 5 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'X' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN X 9 " --> pdb=" O ASN X 5 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'Y' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN Y 9 " --> pdb=" O ASN Y 5 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'Z' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN Z 9 " --> pdb=" O ASN Z 5 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain '0' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 0 9 " --> pdb=" O ASN 0 5 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain '1' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 1 9 " --> pdb=" O ASN 1 5 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain '2' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 2 9 " --> pdb=" O ASN 2 5 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain '3' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN 3 9 " --> pdb=" O ASN 3 5 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain '4' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 4 9 " --> pdb=" O ASN 4 5 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain '5' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 5 9 " --> pdb=" O ASN 5 5 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain '6' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 6 9 " --> pdb=" O ASN 6 5 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain '7' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 7 9 " --> pdb=" O ASN 7 5 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain '8' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN 8 9 " --> pdb=" O ASN 8 5 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain '9' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN 9 9 " --> pdb=" O ASN 9 5 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'a' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN a 9 " --> pdb=" O ASN a 5 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'b' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN b 9 " --> pdb=" O ASN b 5 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'c' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN c 9 " --> pdb=" O ASN c 5 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'd' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN d 9 " --> pdb=" O ASN d 5 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'e' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN e 9 " --> pdb=" O ASN e 5 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'f' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN f 9 " --> pdb=" O ASN f 5 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'g' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN g 9 " --> pdb=" O ASN g 5 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'h' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN h 9 " --> pdb=" O ASN h 5 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'i' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN i 9 " --> pdb=" O ASN i 5 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'j' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN j 9 " --> pdb=" O ASN j 5 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'k' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN k 9 " --> pdb=" O ASN k 5 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'l' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN l 9 " --> pdb=" O ASN l 5 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'm' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN m 9 " --> pdb=" O ASN m 5 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'n' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN n 9 " --> pdb=" O ASN n 5 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'o' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN o 9 " --> pdb=" O ASN o 5 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'p' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN p 9 " --> pdb=" O ASN p 5 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'q' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN q 9 " --> pdb=" O ASN q 5 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'r' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN r 9 " --> pdb=" O ASN r 5 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 's' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN s 9 " --> pdb=" O ASN s 5 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 't' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN t 9 " --> pdb=" O ASN t 5 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'u' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN u 9 " --> pdb=" O ASN u 5 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'v' and resid 1 through 5 removed outlier: 4.381A pdb=" N GLN v 9 " --> pdb=" O ASN v 5 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'w' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN w 9 " --> pdb=" O ASN w 5 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'x' and resid 1 through 5 removed outlier: 4.380A pdb=" N GLN x 9 " --> pdb=" O ASN x 5 " (cutoff:3.500A) 6240 hydrogen bonds defined for protein. 18720 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: 41.62 Time building geometry restraints manager: 62.86 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 34680 1.34 - 1.46: 18474 1.46 - 1.58: 55146 1.58 - 1.69: 720 1.69 - 1.81: 1440 Bond restraints: 110460 Sorted by residual: bond pdb=" C4 IHP b 402 " pdb=" O14 IHP b 402 " ideal model delta sigma weight residual 1.394 1.428 -0.034 2.00e-02 2.50e+03 2.93e+00 bond pdb=" C4 IHP 1 402 " pdb=" O14 IHP 1 402 " ideal model delta sigma weight residual 1.394 1.428 -0.034 2.00e-02 2.50e+03 2.93e+00 bond pdb=" C4 IHP l 402 " pdb=" O14 IHP l 402 " ideal model delta sigma weight residual 1.394 1.428 -0.034 2.00e-02 2.50e+03 2.93e+00 bond pdb=" C4 IHP H 402 " pdb=" O14 IHP H 402 " ideal model delta sigma weight residual 1.394 1.428 -0.034 2.00e-02 2.50e+03 2.93e+00 bond pdb=" C4 IHP R 402 " pdb=" O14 IHP R 402 " ideal model delta sigma weight residual 1.394 1.428 -0.034 2.00e-02 2.50e+03 2.93e+00 ... (remaining 110455 not shown) Histogram of bond angle deviations from ideal: 100.67 - 107.34: 6384 107.34 - 114.01: 66012 114.01 - 120.68: 43455 120.68 - 127.35: 33849 127.35 - 134.01: 1920 Bond angle restraints: 151620 Sorted by residual: angle pdb=" O12 IHP x 402 " pdb=" P2 IHP x 402 " pdb=" O32 IHP x 402 " ideal model delta sigma weight residual 100.47 110.97 -10.50 3.00e+00 1.11e-01 1.22e+01 angle pdb=" O12 IHP d 402 " pdb=" P2 IHP d 402 " pdb=" O32 IHP d 402 " ideal model delta sigma weight residual 100.47 110.97 -10.50 3.00e+00 1.11e-01 1.22e+01 angle pdb=" O12 IHP T 402 " pdb=" P2 IHP T 402 " pdb=" O32 IHP T 402 " ideal model delta sigma weight residual 100.47 110.97 -10.50 3.00e+00 1.11e-01 1.22e+01 angle pdb=" O12 IHP Y 402 " pdb=" P2 IHP Y 402 " pdb=" O32 IHP Y 402 " ideal model delta sigma weight residual 100.47 110.97 -10.50 3.00e+00 1.11e-01 1.22e+01 angle pdb=" O12 IHP i 402 " pdb=" P2 IHP i 402 " pdb=" O32 IHP i 402 " ideal model delta sigma weight residual 100.47 110.97 -10.50 3.00e+00 1.11e-01 1.22e+01 ... (remaining 151615 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 26.68: 65556 26.68 - 53.36: 2784 53.36 - 80.03: 840 80.03 - 106.71: 720 106.71 - 133.39: 420 Dihedral angle restraints: 70320 sinusoidal: 31920 harmonic: 38400 Sorted by residual: dihedral pdb=" C3 IHP w 402 " pdb=" C1 IHP w 402 " pdb=" C2 IHP w 402 " pdb=" O11 IHP w 402 " ideal model delta sinusoidal sigma weight residual -175.40 -42.01 -133.39 1 3.00e+01 1.11e-03 1.80e+01 dihedral pdb=" C3 IHP S 402 " pdb=" C1 IHP S 402 " pdb=" C2 IHP S 402 " pdb=" O11 IHP S 402 " ideal model delta sinusoidal sigma weight residual -175.40 -42.01 -133.39 1 3.00e+01 1.11e-03 1.80e+01 dihedral pdb=" C3 IHP c 402 " pdb=" C1 IHP c 402 " pdb=" C2 IHP c 402 " pdb=" O11 IHP c 402 " ideal model delta sinusoidal sigma weight residual -175.40 -42.01 -133.39 1 3.00e+01 1.11e-03 1.80e+01 ... (remaining 70317 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 1.022: 16560 1.022 - 2.045: 0 2.045 - 3.067: 0 3.067 - 4.089: 0 4.089 - 5.111: 360 Chirality restraints: 16920 Sorted by residual: chirality pdb=" C2 IHP 6 401 " pdb=" C1 IHP 6 401 " pdb=" C3 IHP 6 401 " pdb=" O12 IHP 6 401 " both_signs ideal model delta sigma weight residual False -2.52 2.59 -5.11 2.00e-01 2.50e+01 6.53e+02 chirality pdb=" C2 IHP q 401 " pdb=" C1 IHP q 401 " pdb=" C3 IHP q 401 " pdb=" O12 IHP q 401 " both_signs ideal model delta sigma weight residual False -2.52 2.59 -5.11 2.00e-01 2.50e+01 6.53e+02 chirality pdb=" C2 IHP g 401 " pdb=" C1 IHP g 401 " pdb=" C3 IHP g 401 " pdb=" O12 IHP g 401 " both_signs ideal model delta sigma weight residual False -2.52 2.59 -5.11 2.00e-01 2.50e+01 6.53e+02 ... (remaining 16917 not shown) Planarity restraints: 18840 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ALA 9 60 " -0.023 5.00e-02 4.00e+02 3.39e-02 1.84e+00 pdb=" N PRO 9 61 " 0.059 5.00e-02 4.00e+02 pdb=" CA PRO 9 61 " -0.017 5.00e-02 4.00e+02 pdb=" CD PRO 9 61 " -0.019 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ALA P 60 " -0.023 5.00e-02 4.00e+02 3.39e-02 1.84e+00 pdb=" N PRO P 61 " 0.059 5.00e-02 4.00e+02 pdb=" CA PRO P 61 " -0.017 5.00e-02 4.00e+02 pdb=" CD PRO P 61 " -0.019 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ALA t 60 " -0.023 5.00e-02 4.00e+02 3.39e-02 1.84e+00 pdb=" N PRO t 61 " 0.059 5.00e-02 4.00e+02 pdb=" CA PRO t 61 " -0.017 5.00e-02 4.00e+02 pdb=" CD PRO t 61 " -0.019 5.00e-02 4.00e+02 ... (remaining 18837 not shown) Histogram of nonbonded interaction distances: 0.29 - 1.21: 5760 1.21 - 2.13: 18048 2.13 - 3.05: 97422 3.05 - 3.98: 338028 3.98 - 4.90: 570627 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1029885 Sorted by model distance: nonbonded pdb=" O14 IHP p 401 " pdb=" O16 IHP s 401 " model vdw 0.286 3.040 nonbonded pdb=" O14 IHP L 401 " pdb=" O16 IHP O 401 " model vdw 0.286 3.040 nonbonded pdb=" O14 IHP 5 401 " pdb=" O16 IHP 8 401 " model vdw 0.286 3.040 nonbonded pdb=" O14 IHP a 401 " pdb=" O16 IHP d 401 " model vdw 0.286 3.040 nonbonded pdb=" O14 IHP u 401 " pdb=" O16 IHP x 401 " model vdw 0.286 3.040 ... (remaining 1029880 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.01 max=1.00 mean=0.96 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 0.630 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.090 Extract box with map and model: 8.510 Check model and map are aligned: 1.150 Set scattering table: 0.750 Process input model: 254.510 Find NCS groups from input model: 5.560 Set up NCS constraints: 1.460 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: 0.020 Load rotamer database and sin/cos tables:9.590 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 282.280 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7991 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 : 0.004 0.034 110460 Z= 0.286 Angle : 1.004 10.496 151620 Z= 0.385 Chirality : 0.707 5.111 16920 Planarity : 0.004 0.034 18840 Dihedral : 22.114 133.388 45360 Min Nonbonded Distance : 0.286 Molprobity Statistics. All-atom Clashscore : 7.98 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 1.59 % Allowed : 4.23 % Favored : 94.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.98 (0.07), residues: 13140 helix: 1.80 (0.06), residues: 8760 sheet: 0.69 (0.21), residues: 540 loop : 0.41 (0.09), residues: 3840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP Q 184 HIS 0.001 0.000 HIS m 87 PHE 0.008 0.002 PHE U 168 TYR 0.005 0.001 TYR 3 164 ARG 0.002 0.000 ARG Q 132 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2336 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 2156 time to evaluate : 8.818 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 180 outliers final: 36 residues processed: 2336 average time/residue: 2.0581 time to fit residues: 6353.3140 Evaluate side-chains 1692 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1656 time to evaluate : 8.617 Switching outliers to nearest non-outliers outliers start: 36 outliers final: 36 residues processed: 0 time to fit residues: 11.7714 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1114 optimal weight: 2.9990 chunk 1000 optimal weight: 30.0000 chunk 555 optimal weight: 8.9990 chunk 341 optimal weight: 30.0000 chunk 674 optimal weight: 0.0570 chunk 534 optimal weight: 20.0000 chunk 1034 optimal weight: 9.9990 chunk 400 optimal weight: 10.0000 chunk 629 optimal weight: 8.9990 chunk 770 optimal weight: 40.0000 chunk 1198 optimal weight: 30.0000 overall best weight: 6.2106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 7 GLN A 21 ASN A 57 ASN A 67 GLN A 183 ASN B 7 GLN B 57 ASN B 95 GLN B 179 GLN C 7 GLN C 74 ASN C 95 GLN D 7 GLN D 74 ASN D 95 GLN D 183 ASN E 7 GLN E 67 GLN E 95 GLN E 179 GLN E 183 ASN F 7 GLN F 21 ASN F 57 ASN F 67 GLN F 95 GLN F 183 ASN G 7 GLN G 57 ASN G 95 GLN H 7 GLN H 74 ASN H 95 GLN I 7 GLN I 74 ASN I 95 GLN I 183 ASN J 7 GLN J 67 GLN J 95 GLN J 179 GLN J 183 ASN K 7 GLN K 57 ASN K 67 GLN K 95 GLN K 183 ASN L 7 GLN L 57 ASN L 95 GLN M 7 GLN M 74 ASN M 95 GLN N 7 GLN N 74 ASN N 95 GLN N 183 ASN O 7 GLN O 67 GLN O 95 GLN O 179 GLN O 183 ASN P 7 GLN P 57 ASN P 67 GLN P 183 ASN Q 7 GLN Q 57 ASN Q 95 GLN Q 179 GLN R 7 GLN R 74 ASN R 95 GLN S 7 GLN S 74 ASN S 95 GLN S 183 ASN T 7 GLN T 67 GLN T 95 GLN T 179 GLN T 183 ASN U 7 GLN U 21 ASN U 57 ASN U 67 GLN U 95 GLN U 183 ASN V 7 GLN V 57 ASN V 95 GLN W 7 GLN W 74 ASN W 95 GLN X 7 GLN X 74 ASN X 95 GLN X 183 ASN Y 7 GLN Y 67 GLN Y 95 GLN Y 179 GLN Y 183 ASN Z 7 GLN Z 21 ASN Z 57 ASN Z 67 GLN Z 95 GLN Z 183 ASN 0 7 GLN 0 57 ASN 0 95 GLN 1 7 GLN 1 74 ASN 1 95 GLN 2 7 GLN 2 74 ASN 2 95 GLN 2 183 ASN 3 7 GLN 3 67 GLN 3 95 GLN 3 179 GLN 3 183 ASN 4 7 GLN 4 57 ASN 4 67 GLN 4 95 GLN 4 183 ASN 5 7 GLN 5 57 ASN 5 95 GLN 6 7 GLN 6 74 ASN 6 95 GLN 7 7 GLN 7 74 ASN 7 95 GLN 7 183 ASN 8 7 GLN 8 67 GLN 8 95 GLN 8 179 GLN 8 183 ASN 9 7 GLN 9 57 ASN 9 67 GLN 9 95 GLN 9 183 ASN a 7 GLN a 57 ASN a 95 GLN b 7 GLN b 74 ASN b 95 GLN c 7 GLN c 74 ASN c 95 GLN c 183 ASN d 7 GLN d 67 GLN d 95 GLN d 179 GLN d 183 ASN e 7 GLN e 21 ASN e 57 ASN e 67 GLN e 95 GLN e 183 ASN f 7 GLN f 57 ASN f 95 GLN g 7 GLN g 74 ASN g 95 GLN h 7 GLN h 74 ASN h 95 GLN h 183 ASN i 7 GLN i 67 GLN i 95 GLN i 179 GLN i 183 ASN j 7 GLN j 21 ASN j 57 ASN j 67 GLN j 95 GLN j 183 ASN k 7 GLN k 57 ASN k 95 GLN l 7 GLN l 74 ASN l 95 GLN m 7 GLN m 74 ASN m 95 GLN m 183 ASN n 7 GLN n 67 GLN n 95 GLN n 179 GLN n 183 ASN o 7 GLN o 57 ASN o 67 GLN o 95 GLN o 183 ASN p 7 GLN p 57 ASN p 95 GLN q 7 GLN q 74 ASN q 95 GLN r 7 GLN r 74 ASN r 95 GLN r 183 ASN s 7 GLN s 67 GLN s 95 GLN s 179 GLN s 183 ASN t 7 GLN t 57 ASN t 67 GLN t 95 GLN t 183 ASN u 7 GLN u 57 ASN u 95 GLN v 7 GLN v 74 ASN v 95 GLN w 7 GLN w 74 ASN w 95 GLN w 183 ASN x 7 GLN x 67 GLN x 95 GLN x 179 GLN x 183 ASN Total number of N/Q/H flips: 246 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7924 moved from start: 0.3672 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.048 1.256 110460 Z= 3.130 Angle : 4.202 88.159 151620 Z= 1.446 Chirality : 0.220 2.951 16920 Planarity : 0.015 0.419 18840 Dihedral : 19.716 98.476 19080 Min Nonbonded Distance : 1.141 Molprobity Statistics. All-atom Clashscore : 10.52 Ramachandran Plot: Outliers : 0.02 % Allowed : 0.62 % Favored : 99.36 % Rotamer: Outliers : 2.43 % Allowed : 11.26 % Favored : 86.31 % Cbeta Deviations : 0.10 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 2.35 % Twisted General : 0.22 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.29 (0.07), residues: 13140 helix: 1.27 (0.05), residues: 8700 sheet: 0.56 (0.23), residues: 540 loop : 0.14 (0.09), residues: 3900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.002 TRP 6 184 HIS 0.005 0.001 HIS j 12 PHE 0.017 0.004 PHE 8 168 TYR 0.009 0.002 TYR h 169 ARG 0.042 0.002 ARG w 18 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2081 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 1805 time to evaluate : 8.755 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 276 outliers final: 108 residues processed: 1985 average time/residue: 2.2568 time to fit residues: 5818.2048 Evaluate side-chains 1795 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 1687 time to evaluate : 8.635 Switching outliers to nearest non-outliers outliers start: 108 outliers final: 72 residues processed: 36 average time/residue: 1.0894 time to fit residues: 75.4634 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 666 optimal weight: 6.9990 chunk 372 optimal weight: 3.9990 chunk 997 optimal weight: 20.0000 chunk 816 optimal weight: 5.9990 chunk 330 optimal weight: 40.0000 chunk 1200 optimal weight: 6.9990 chunk 1297 optimal weight: 0.9980 chunk 1069 optimal weight: 9.9990 chunk 1190 optimal weight: 6.9990 chunk 409 optimal weight: 10.0000 chunk 963 optimal weight: 3.9990 overall best weight: 4.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 57 ASN A 183 ASN B 57 ASN B 179 GLN C 74 ASN D 13 GLN D 21 ASN D 53 ASN D 183 ASN E 13 GLN E 57 ASN ** F 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 57 ASN F 183 ASN G 57 ASN H 74 ASN I 13 GLN ** I 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 53 ASN I 183 ASN J 57 ASN K 57 ASN K 183 ASN L 57 ASN M 74 ASN N 13 GLN N 21 ASN N 53 ASN N 183 ASN O 13 GLN O 57 ASN P 57 ASN P 183 ASN Q 57 ASN Q 179 GLN R 74 ASN S 13 GLN S 21 ASN S 53 ASN S 183 ASN T 13 GLN T 57 ASN ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 57 ASN U 183 ASN V 57 ASN W 74 ASN X 13 GLN X 21 ASN X 53 ASN X 183 ASN Y 13 GLN ** Z 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 57 ASN Z 183 ASN 0 57 ASN 1 74 ASN 2 13 GLN ** 2 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 53 ASN 2 183 ASN 3 13 GLN 4 57 ASN 4 183 ASN 5 57 ASN 6 74 ASN 7 13 GLN 7 21 ASN 7 53 ASN 7 183 ASN 8 13 GLN 9 57 ASN 9 183 ASN a 57 ASN b 74 ASN c 13 GLN c 21 ASN c 53 ASN c 183 ASN d 13 GLN ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 57 ASN e 183 ASN f 57 ASN g 74 ASN h 13 GLN h 21 ASN h 53 ASN h 183 ASN i 13 GLN ** j 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 57 ASN j 183 ASN k 57 ASN l 74 ASN m 13 GLN ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 53 ASN m 183 ASN n 13 GLN o 57 ASN o 183 ASN p 57 ASN q 74 ASN r 13 GLN r 21 ASN r 53 ASN r 183 ASN s 13 GLN t 57 ASN t 183 ASN u 57 ASN v 74 ASN w 13 GLN w 21 ASN w 53 ASN w 183 ASN x 13 GLN Total number of N/Q/H flips: 110 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7925 moved from start: 0.4153 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.034 1.190 110460 Z= 2.175 Angle : 2.133 63.658 151620 Z= 0.758 Chirality : 0.173 3.787 16920 Planarity : 0.006 0.129 18840 Dihedral : 18.609 97.066 19080 Min Nonbonded Distance : 1.782 Molprobity Statistics. All-atom Clashscore : 8.86 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.34 % Favored : 99.66 % Rotamer: Outliers : 2.42 % Allowed : 12.75 % Favored : 84.83 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.88 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.28 (0.07), residues: 13140 helix: 1.32 (0.05), residues: 8640 sheet: 0.46 (0.22), residues: 540 loop : 0.03 (0.09), residues: 3960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.002 TRP b 184 HIS 0.006 0.001 HIS a 12 PHE 0.015 0.003 PHE 3 168 TYR 0.010 0.001 TYR S 169 ARG 0.025 0.001 ARG O 18 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2013 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 274 poor density : 1739 time to evaluate : 9.126 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 274 outliers final: 103 residues processed: 1886 average time/residue: 2.3056 time to fit residues: 5632.9006 Evaluate side-chains 1761 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 103 poor density : 1658 time to evaluate : 8.634 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 103 outliers final: 76 residues processed: 31 average time/residue: 1.0193 time to fit residues: 64.6070 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1186 optimal weight: 9.9990 chunk 902 optimal weight: 6.9990 chunk 623 optimal weight: 6.9990 chunk 132 optimal weight: 8.9990 chunk 573 optimal weight: 9.9990 chunk 806 optimal weight: 4.9990 chunk 1205 optimal weight: 9.9990 chunk 1275 optimal weight: 10.0000 chunk 629 optimal weight: 10.0000 chunk 1142 optimal weight: 9.9990 chunk 343 optimal weight: 10.0000 overall best weight: 7.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN A 57 ASN A 179 GLN B 57 ASN C 21 ASN C 74 ASN D 21 ASN D 53 ASN D 179 GLN E 13 GLN F 21 ASN F 57 ASN F 179 GLN G 57 ASN H 21 ASN H 74 ASN I 53 ASN I 179 GLN K 57 ASN K 179 GLN L 57 ASN M 74 ASN N 21 ASN N 53 ASN N 179 GLN P 57 ASN P 179 GLN Q 57 ASN R 74 ASN S 21 ASN S 53 ASN S 179 GLN U 21 ASN U 57 ASN U 179 GLN V 57 ASN W 21 ASN W 74 ASN X 21 ASN X 53 ASN X 179 GLN Y 13 GLN Z 21 ASN Z 57 ASN Z 179 GLN 0 57 ASN 1 21 ASN 1 74 ASN 2 21 ASN 2 53 ASN 2 179 GLN 4 57 ASN 4 179 GLN 5 57 ASN 6 74 ASN 7 21 ASN 7 53 ASN 7 179 GLN 9 57 ASN 9 179 GLN a 57 ASN b 74 ASN c 21 ASN c 53 ASN c 179 GLN e 21 ASN e 57 ASN e 179 GLN f 57 ASN g 21 ASN g 74 ASN h 21 ASN h 53 ASN h 179 GLN h 183 ASN i 13 GLN j 21 ASN j 57 ASN j 179 GLN k 57 ASN l 74 ASN m 21 ASN m 53 ASN m 179 GLN o 57 ASN o 179 GLN p 57 ASN q 74 ASN r 21 ASN r 53 ASN r 179 GLN r 183 ASN t 57 ASN t 179 GLN u 57 ASN v 74 ASN w 21 ASN w 53 ASN w 179 GLN w 183 ASN Total number of N/Q/H flips: 100 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8010 moved from start: 0.4497 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.033 0.983 110460 Z= 2.104 Angle : 1.859 46.777 151620 Z= 0.687 Chirality : 0.146 2.851 16920 Planarity : 0.007 0.081 18840 Dihedral : 18.345 101.007 19080 Min Nonbonded Distance : 1.808 Molprobity Statistics. All-atom Clashscore : 9.11 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.25 % Favored : 98.75 % Rotamer: Outliers : 2.64 % Allowed : 13.44 % Favored : 83.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % 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: 0.79 (0.07), residues: 13140 helix: 1.00 (0.05), residues: 8580 sheet: 0.15 (0.22), residues: 540 loop : -0.26 (0.08), residues: 4020 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.003 TRP M 184 HIS 0.004 0.001 HIS a 12 PHE 0.021 0.004 PHE Y 168 TYR 0.011 0.002 TYR I 169 ARG 0.022 0.001 ARG O 18 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1923 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 299 poor density : 1624 time to evaluate : 8.391 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 299 outliers final: 160 residues processed: 1765 average time/residue: 2.2876 time to fit residues: 5261.5908 Evaluate side-chains 1730 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 1570 time to evaluate : 8.629 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 160 outliers final: 119 residues processed: 58 average time/residue: 1.4755 time to fit residues: 138.1402 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1062 optimal weight: 20.0000 chunk 724 optimal weight: 5.9990 chunk 18 optimal weight: 10.0000 chunk 950 optimal weight: 2.9990 chunk 526 optimal weight: 0.9990 chunk 1088 optimal weight: 8.9990 chunk 881 optimal weight: 5.9990 chunk 1 optimal weight: 6.9990 chunk 651 optimal weight: 4.9990 chunk 1145 optimal weight: 5.9990 chunk 321 optimal weight: 4.9990 overall best weight: 3.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN A 57 ASN B 13 GLN B 57 ASN C 74 ASN E 13 GLN F 57 ASN G 57 ASN H 74 ASN I 21 ASN J 13 GLN K 57 ASN L 13 GLN L 57 ASN M 74 ASN P 57 ASN Q 57 ASN R 21 ASN R 74 ASN U 21 ASN U 57 ASN V 13 GLN V 57 ASN W 74 ASN Y 13 GLN Z 21 ASN Z 57 ASN 0 57 ASN 1 74 ASN 4 57 ASN 5 13 GLN 5 57 ASN 6 74 ASN 9 57 ASN a 57 ASN b 74 ASN e 21 ASN e 57 ASN f 13 GLN f 57 ASN g 74 ASN h 183 ASN i 13 GLN j 21 ASN j 57 ASN k 57 ASN l 74 ASN o 57 ASN p 13 GLN p 57 ASN q 74 ASN r 183 ASN t 57 ASN u 57 ASN v 21 ASN v 74 ASN w 183 ASN Total number of N/Q/H flips: 57 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7977 moved from start: 0.4520 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.033 0.963 110460 Z= 2.083 Angle : 1.751 46.824 151620 Z= 0.632 Chirality : 0.133 2.467 16920 Planarity : 0.006 0.061 18840 Dihedral : 18.197 105.774 19080 Min Nonbonded Distance : 1.841 Molprobity Statistics. All-atom Clashscore : 7.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.34 % Favored : 99.66 % Rotamer: Outliers : 2.69 % Allowed : 14.01 % Favored : 83.30 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.37 (0.07), residues: 13140 helix: 1.37 (0.05), residues: 8640 sheet: 0.16 (0.22), residues: 540 loop : 0.18 (0.09), residues: 3960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.002 TRP x 184 HIS 0.004 0.001 HIS a 12 PHE 0.013 0.003 PHE J 168 TYR 0.010 0.001 TYR w 169 ARG 0.008 0.001 ARG O 18 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1934 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 305 poor density : 1629 time to evaluate : 8.697 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 305 outliers final: 160 residues processed: 1822 average time/residue: 2.3198 time to fit residues: 5487.6223 Evaluate side-chains 1759 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 1599 time to evaluate : 8.689 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 160 outliers final: 121 residues processed: 50 average time/residue: 1.5066 time to fit residues: 124.2163 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 429 optimal weight: 30.0000 chunk 1149 optimal weight: 20.0000 chunk 252 optimal weight: 30.0000 chunk 749 optimal weight: 6.9990 chunk 314 optimal weight: 0.0060 chunk 1277 optimal weight: 3.9990 chunk 1060 optimal weight: 8.9990 chunk 591 optimal weight: 5.9990 chunk 106 optimal weight: 9.9990 chunk 422 optimal weight: 6.9990 chunk 670 optimal weight: 0.0570 overall best weight: 3.4120 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN F 57 ASN G 57 ASN H 74 ASN J 21 ASN K 57 ASN L 57 ASN M 74 ASN P 57 ASN Q 57 ASN R 74 ASN U 57 ASN V 57 ASN W 74 ASN Z 57 ASN 0 57 ASN 1 74 ASN 4 57 ASN 5 57 ASN 6 74 ASN 9 57 ASN a 57 ASN b 74 ASN e 57 ASN f 57 ASN g 74 ASN j 57 ASN k 57 ASN l 74 ASN o 57 ASN p 57 ASN q 74 ASN t 57 ASN u 57 ASN v 74 ASN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7973 moved from start: 0.4614 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.033 0.953 110460 Z= 2.076 Angle : 1.730 48.234 151620 Z= 0.623 Chirality : 0.129 2.253 16920 Planarity : 0.005 0.068 18840 Dihedral : 18.209 108.809 19080 Min Nonbonded Distance : 1.828 Molprobity Statistics. All-atom Clashscore : 7.49 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.74 % Favored : 99.26 % Rotamer: Outliers : 2.50 % Allowed : 14.59 % Favored : 82.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.54 (0.07), residues: 13140 helix: 1.56 (0.05), residues: 8580 sheet: 0.15 (0.22), residues: 540 loop : 0.12 (0.09), residues: 4020 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.002 TRP E 184 HIS 0.004 0.001 HIS a 12 PHE 0.013 0.003 PHE i 168 TYR 0.011 0.001 TYR D 169 ARG 0.009 0.001 ARG j 143 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1937 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 283 poor density : 1654 time to evaluate : 8.813 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 283 outliers final: 164 residues processed: 1819 average time/residue: 2.3254 time to fit residues: 5461.8207 Evaluate side-chains 1769 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 164 poor density : 1605 time to evaluate : 8.568 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 164 outliers final: 121 residues processed: 57 average time/residue: 1.3236 time to fit residues: 125.9147 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1231 optimal weight: 9.9990 chunk 143 optimal weight: 30.0000 chunk 727 optimal weight: 10.0000 chunk 932 optimal weight: 7.9990 chunk 722 optimal weight: 9.9990 chunk 1075 optimal weight: 9.9990 chunk 713 optimal weight: 0.9990 chunk 1272 optimal weight: 9.9990 chunk 796 optimal weight: 7.9990 chunk 775 optimal weight: 10.0000 chunk 587 optimal weight: 6.9990 overall best weight: 6.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN F 57 ASN G 57 ASN H 74 ASN I 74 ASN K 57 ASN L 57 ASN M 74 ASN P 57 ASN Q 57 ASN R 74 ASN U 57 ASN V 57 ASN W 74 ASN Y 179 GLN Z 57 ASN 0 57 ASN 1 74 ASN 4 21 ASN 4 57 ASN 5 57 ASN 6 74 ASN 9 57 ASN a 57 ASN b 74 ASN e 57 ASN f 57 ASN g 74 ASN j 57 ASN k 57 ASN l 74 ASN m 74 ASN n 179 GLN o 57 ASN p 57 ASN q 74 ASN t 57 ASN u 57 ASN v 74 ASN Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8015 moved from start: 0.4834 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.033 0.971 110460 Z= 2.087 Angle : 1.776 48.002 151620 Z= 0.656 Chirality : 0.129 2.110 16920 Planarity : 0.007 0.078 18840 Dihedral : 18.430 113.217 19080 Min Nonbonded Distance : 1.837 Molprobity Statistics. All-atom Clashscore : 8.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.32 % Favored : 98.68 % Rotamer: Outliers : 2.72 % Allowed : 14.74 % Favored : 82.54 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.03 (0.07), residues: 13140 helix: 1.17 (0.05), residues: 8520 sheet: -0.19 (0.21), residues: 540 loop : -0.04 (0.09), residues: 4080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.002 TRP g 184 HIS 0.004 0.001 HIS a 12 PHE 0.020 0.004 PHE Y 168 TYR 0.012 0.002 TYR w 169 ARG 0.018 0.001 ARG M 143 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1961 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 309 poor density : 1652 time to evaluate : 8.384 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 309 outliers final: 169 residues processed: 1829 average time/residue: 2.2861 time to fit residues: 5417.8066 Evaluate side-chains 1780 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 169 poor density : 1611 time to evaluate : 8.638 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 169 outliers final: 126 residues processed: 64 average time/residue: 1.7719 time to fit residues: 167.7016 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 787 optimal weight: 2.9990 chunk 508 optimal weight: 0.9990 chunk 759 optimal weight: 0.0030 chunk 383 optimal weight: 9.9990 chunk 249 optimal weight: 20.0000 chunk 246 optimal weight: 9.9990 chunk 808 optimal weight: 0.9990 chunk 866 optimal weight: 0.9990 chunk 629 optimal weight: 6.9990 chunk 118 optimal weight: 7.9990 chunk 1000 optimal weight: 0.0060 overall best weight: 0.6012 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN F 57 ASN G 57 ASN H 74 ASN I 21 ASN K 57 ASN L 57 ASN M 21 ASN M 74 ASN P 57 ASN Q 57 ASN R 74 ASN U 57 ASN V 57 ASN W 74 ASN Z 57 ASN 0 57 ASN 1 74 ASN 4 57 ASN 5 57 ASN 6 21 ASN 6 74 ASN 9 57 ASN a 57 ASN b 21 ASN b 74 ASN e 57 ASN f 57 ASN g 74 ASN j 57 ASN k 57 ASN l 74 ASN o 57 ASN p 57 ASN q 74 ASN t 57 ASN u 57 ASN v 74 ASN Total number of N/Q/H flips: 40 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7829 moved from start: 0.4860 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.032 0.961 110460 Z= 2.064 Angle : 1.672 47.927 151620 Z= 0.593 Chirality : 0.121 2.038 16920 Planarity : 0.005 0.076 18840 Dihedral : 18.106 114.808 19080 Min Nonbonded Distance : 1.877 Molprobity Statistics. All-atom Clashscore : 6.77 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.40 % Favored : 99.60 % Rotamer: Outliers : 1.46 % Allowed : 16.26 % Favored : 82.28 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.92 (0.07), residues: 13140 helix: 1.93 (0.06), residues: 8580 sheet: 0.11 (0.22), residues: 540 loop : 0.12 (0.09), residues: 4020 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP N 23 HIS 0.001 0.000 HIS a 12 PHE 0.010 0.001 PHE q 40 TYR 0.006 0.001 TYR r 169 ARG 0.014 0.001 ARG W 143 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1884 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 166 poor density : 1718 time to evaluate : 7.931 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 166 outliers final: 131 residues processed: 1830 average time/residue: 2.3311 time to fit residues: 5563.4359 Evaluate side-chains 1739 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 131 poor density : 1608 time to evaluate : 8.655 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 131 outliers final: 123 residues processed: 35 average time/residue: 1.7156 time to fit residues: 96.6424 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1157 optimal weight: 9.9990 chunk 1218 optimal weight: 6.9990 chunk 1112 optimal weight: 8.9990 chunk 1185 optimal weight: 0.9980 chunk 713 optimal weight: 3.9990 chunk 516 optimal weight: 30.0000 chunk 930 optimal weight: 10.0000 chunk 363 optimal weight: 9.9990 chunk 1071 optimal weight: 7.9990 chunk 1121 optimal weight: 3.9990 chunk 1181 optimal weight: 7.9990 overall best weight: 4.7988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN D 74 ASN E 21 ASN F 57 ASN G 57 ASN H 74 ASN ** I 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 74 ASN K 21 ASN K 57 ASN L 57 ASN M 74 ASN N 74 ASN P 57 ASN Q 57 ASN R 74 ASN S 74 ASN U 57 ASN V 57 ASN W 74 ASN X 74 ASN Z 57 ASN 0 57 ASN 1 74 ASN 2 74 ASN 4 21 ASN 4 57 ASN 5 57 ASN 6 74 ASN 7 74 ASN 9 57 ASN a 57 ASN b 74 ASN c 74 ASN e 57 ASN f 57 ASN g 74 ASN h 74 ASN i 21 ASN j 57 ASN k 57 ASN l 74 ASN m 74 ASN n 21 ASN o 21 ASN o 57 ASN p 57 ASN q 74 ASN r 74 ASN t 57 ASN u 57 ASN v 74 ASN w 74 ASN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7989 moved from start: 0.4892 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.033 0.965 110460 Z= 2.071 Angle : 1.715 47.317 151620 Z= 0.629 Chirality : 0.121 2.022 16920 Planarity : 0.006 0.067 18840 Dihedral : 18.158 109.728 19080 Min Nonbonded Distance : 1.871 Molprobity Statistics. All-atom Clashscore : 7.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.74 % Favored : 99.26 % Rotamer: Outliers : 2.00 % Allowed : 15.83 % Favored : 82.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.55 (0.07), residues: 13140 helix: 1.59 (0.05), residues: 8520 sheet: -0.04 (0.21), residues: 540 loop : 0.10 (0.09), residues: 4080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.002 TRP 7 23 HIS 0.003 0.001 HIS a 12 PHE 0.017 0.003 PHE E 168 TYR 0.015 0.002 TYR c 169 ARG 0.018 0.001 ARG 4 143 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1854 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 227 poor density : 1627 time to evaluate : 8.789 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 227 outliers final: 130 residues processed: 1736 average time/residue: 2.3759 time to fit residues: 5328.2930 Evaluate side-chains 1731 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 130 poor density : 1601 time to evaluate : 8.646 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 130 outliers final: 106 residues processed: 39 average time/residue: 1.3639 time to fit residues: 91.7138 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 778 optimal weight: 30.0000 chunk 1253 optimal weight: 4.9990 chunk 765 optimal weight: 9.9990 chunk 594 optimal weight: 3.9990 chunk 871 optimal weight: 9.9990 chunk 1315 optimal weight: 0.0770 chunk 1210 optimal weight: 40.0000 chunk 1047 optimal weight: 9.9990 chunk 108 optimal weight: 5.9990 chunk 808 optimal weight: 0.9980 chunk 642 optimal weight: 10.0000 overall best weight: 3.2144 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN E 21 ASN F 57 ASN G 57 ASN H 74 ASN ** I 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 21 ASN K 57 ASN L 57 ASN M 74 ASN P 57 ASN Q 57 ASN R 74 ASN U 57 ASN V 57 ASN W 74 ASN Z 57 ASN 0 57 ASN 1 74 ASN 4 57 ASN 5 57 ASN 6 74 ASN 9 57 ASN a 57 ASN b 74 ASN e 57 ASN f 57 ASN g 74 ASN j 57 ASN k 57 ASN l 74 ASN o 57 ASN p 57 ASN q 74 ASN t 57 ASN u 57 ASN v 74 ASN Total number of N/Q/H flips: 38 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7957 moved from start: 0.4905 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.032 0.963 110460 Z= 2.063 Angle : 1.692 47.460 151620 Z= 0.614 Chirality : 0.117 1.905 16920 Planarity : 0.006 0.067 18840 Dihedral : 17.923 105.968 19080 Min Nonbonded Distance : 1.862 Molprobity Statistics. All-atom Clashscore : 7.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.34 % Favored : 99.66 % Rotamer: Outliers : 1.28 % Allowed : 16.61 % Favored : 82.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.60 (0.07), residues: 13140 helix: 1.63 (0.05), residues: 8520 sheet: 0.01 (0.21), residues: 540 loop : 0.13 (0.09), residues: 4080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.002 TRP n 184 HIS 0.003 0.000 HIS Q 12 PHE 0.013 0.002 PHE J 168 TYR 0.011 0.001 TYR N 169 ARG 0.019 0.001 ARG e 143 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26280 Ramachandran restraints generated. 13140 Oldfield, 0 Emsley, 13140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1771 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 145 poor density : 1626 time to evaluate : 8.889 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 145 outliers final: 131 residues processed: 1723 average time/residue: 2.3399 time to fit residues: 5211.2700 Evaluate side-chains 1737 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 131 poor density : 1606 time to evaluate : 8.622 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 131 outliers final: 106 residues processed: 39 average time/residue: 1.5168 time to fit residues: 97.7747 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 831 optimal weight: 4.9990 chunk 1115 optimal weight: 10.0000 chunk 320 optimal weight: 8.9990 chunk 965 optimal weight: 9.9990 chunk 154 optimal weight: 6.9990 chunk 291 optimal weight: 9.9990 chunk 1048 optimal weight: 5.9990 chunk 438 optimal weight: 10.0000 chunk 1077 optimal weight: 4.9990 chunk 132 optimal weight: 0.0050 chunk 193 optimal weight: 6.9990 overall best weight: 4.6002 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 57 ASN B 57 ASN C 74 ASN F 57 ASN G 57 ASN H 74 ASN I 21 ASN K 57 ASN L 57 ASN M 74 ASN P 57 ASN Q 57 ASN R 74 ASN U 57 ASN V 57 ASN W 74 ASN Z 57 ASN 0 57 ASN 1 74 ASN 4 57 ASN 5 57 ASN 6 74 ASN 9 57 ASN a 57 ASN b 74 ASN e 57 ASN f 57 ASN g 74 ASN j 57 ASN k 57 ASN l 74 ASN o 57 ASN p 57 ASN q 74 ASN t 57 ASN u 57 ASN v 74 ASN w 179 GLN Total number of N/Q/H flips: 38 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4384 r_free = 0.4384 target = 0.213584 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 55)----------------| | r_work = 0.3929 r_free = 0.3929 target = 0.166143 restraints weight = 102888.494| |-----------------------------------------------------------------------------| r_work (start): 0.3910 rms_B_bonded: 2.08 r_work: 0.3714 rms_B_bonded: 2.08 restraints_weight: 0.5000 r_work: 0.3606 rms_B_bonded: 3.03 restraints_weight: 0.2500 r_work (final): 0.3606 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3601 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3601 r_free = 0.3601 target_work(ls_wunit_k1) = 0.137 | | occupancies: max = 1.00 min = 0.01 number of occupancies < 0.1: 4320 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3596 r_free = 0.3596 target_work(ls_wunit_k1) = 0.137 | | occupancies: max = 1.00 min = 0.02 number of occupancies < 0.1: 1584 | |-----------------------------------------------------------------------------| r_final: 0.3596 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8071 moved from start: 0.4999 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.032 0.967 110460 Z= 2.067 Angle : 1.717 47.062 151620 Z= 0.632 Chirality : 0.117 1.915 16920 Planarity : 0.006 0.075 18840 Dihedral : 17.894 102.742 19080 Min Nonbonded Distance : 1.861 Molprobity Statistics. All-atom Clashscore : 9.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.00 % Favored : 99.00 % Rotamer: Outliers : 1.59 % Allowed : 16.40 % Favored : 82.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.36 (0.07), residues: 13140 helix: 1.43 (0.05), residues: 8520 sheet: -0.13 (0.21), residues: 540 loop : 0.08 (0.09), residues: 4080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.002 TRP 1 184 HIS 0.003 0.001 HIS Q 12 PHE 0.016 0.003 PHE 3 168 TYR 0.012 0.001 TYR m 169 ARG 0.022 0.001 ARG P 143 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 70663.57 seconds wall clock time: 1205 minutes 46.35 seconds (72346.35 seconds total)