Starting phenix.real_space_refine on Thu Dec 7 16:25:45 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.1 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eet_28057/12_2023/8eet_28057_updated.pdb" } resolution = 3.1 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.031 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 720 5.16 5 C 65880 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 Residue "A TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.20s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 107640 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 1794 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1794 Unusual residues: {'IHP': 2} Classifications: {'peptide': 221, 'undetermined': 2} Link IDs: {'PCIS': 1, 'PTRANS': 15, 'TRANS': 204, 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: 39.46, per 1000 atoms: 0.37 Number of scatterers: 107640 At special positions: 0 Unit cell: (239.25, 239.25, 239.25, 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 720 16.00 P 720 15.00 O 22260 8.00 N 18060 7.00 C 65880 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 "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12496 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39406 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3526 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48376 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93226 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75286 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57346 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21466 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30436 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84256 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P0 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66316 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69904 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60934 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GO O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34024 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96814 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7114 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78874 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42994 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51964 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25054 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87844 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16084 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64522 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37612 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55552 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91432 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10702 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82462 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46582 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19672 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28642 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B6 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73492 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1732 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26848 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8908 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98608 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62728 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80668 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44788 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71698 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UI O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35818 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89638 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17878 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53758 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68110 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032U O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32230 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50170 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59140 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86050 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14290 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95020 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77080 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41200 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23260 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5320 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34024 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7114 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69904 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GO O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25054 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51964 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60934 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87844 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16084 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96814 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78874 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42994 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62728 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53758 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71698 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35818 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8908 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44788 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UI O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26848 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98608 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80668 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17878 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89638 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82462 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10702 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46582 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19672 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1732 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64522 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B6 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28642 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55552 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91432 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73492 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37612 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86050 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50170 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14290 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59140 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23260 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95020 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68110 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032U O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32230 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5320 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77080 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41200 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75286 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P0 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66316 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30436 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84256 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39406 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93226 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48376 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57346 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12496 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3526 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21466 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GO O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96814 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69904 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60934 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34024 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25054 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87844 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16084 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51964 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78874 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42994 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7114 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53758 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8908 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44788 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17878 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62728 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UI O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35818 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71698 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26848 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98608 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80668 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89638 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64522 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B6 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28642 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55552 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19672 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91432 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46582 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82462 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10702 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37612 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1732 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73492 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5320 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77080 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86050 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14290 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50170 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32230 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032U O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59140 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23260 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41200 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95020 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68110 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57346 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93226 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75286 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39406 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21466 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66316 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30436 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3526 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P0 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84256 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12496 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48376 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23296 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5356 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95056 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77116 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41236 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68146 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033U O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32266 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86086 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14326 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59176 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50206 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12532 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21502 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84292 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3562 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48412 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66352 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q0 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30472 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93262 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39442 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57382 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75322 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87880 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7150 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16120 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43030 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52000 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78910 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96850 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60970 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25090 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69940 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HO O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34060 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80704 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62764 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26884 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35854 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98644 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44824 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89674 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71734 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VI O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17914 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53794 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46618 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64558 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10738 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37648 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1768 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55588 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82498 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91468 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19708 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C6 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28678 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73528 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50206 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14326 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32266 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68146 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033U O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41236 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86086 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59176 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5356 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77116 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95056 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23296 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73528 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82498 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1768 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C6 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28678 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46618 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37648 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10738 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55588 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19708 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91468 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64558 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17914 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53794 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44824 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89674 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26884 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71734 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80704 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62764 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98644 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VI O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35854 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21502 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93262 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39442 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3562 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57382 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75322 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66352 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12532 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48412 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q0 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30472 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84292 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60970 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25090 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96850 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69940 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HO O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34060 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52000 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16120 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87880 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7150 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78910 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43030 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5358 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50208 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41238 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86088 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14328 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77118 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59178 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68148 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033W O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23298 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32268 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95058 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82500 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91470 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73530 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55590 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10740 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64560 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C8 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28680 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37650 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46620 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19710 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1770 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VK O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35856 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71736 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53796 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62766 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8946 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17916 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26886 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44826 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89676 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98646 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80706 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HQ O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87882 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34062 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16122 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60972 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25092 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7152 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96852 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78912 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69942 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52002 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43032 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39444 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3564 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84294 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12534 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48414 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21504 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75324 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66354 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93264 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57384 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q2 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30474 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80706 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44826 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89676 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98646 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62766 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17916 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71736 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VK O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35856 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53796 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8946 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26886 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12534 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3564 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75324 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48414 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39444 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84294 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30474 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57384 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66354 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21504 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q2 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93264 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7152 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25092 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52002 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69942 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HQ O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34062 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78912 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60972 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96852 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87882 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16122 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43032 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46620 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1770 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37650 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10740 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55590 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64560 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73530 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C8 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28680 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91470 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82500 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19710 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86088 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77118 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50208 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14328 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5358 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41238 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68148 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033W O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32268 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95058 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59178 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23298 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96852 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87882 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43032 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HQ O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34062 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25092 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60972 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16122 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78912 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69942 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7152 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52002 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033W O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95058 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59178 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68148 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23298 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32268 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5358 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86088 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14328 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77118 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50208 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41238 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93264 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57384 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21504 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3564 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39444 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q2 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66354 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30474 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12534 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48414 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75324 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84294 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26886 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8946 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VK O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35856 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71736 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17916 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89676 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53796 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98646 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80706 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44826 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62766 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19710 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91470 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82500 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64560 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C8 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28680 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55590 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10740 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73530 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37650 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46620 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1770 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66354 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30474 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q2 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84294 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12534 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48414 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57384 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21504 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93264 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3564 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75324 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39444 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1770 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64560 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55590 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C8 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28680 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73530 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46620 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19710 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37650 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82500 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10740 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91470 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77118 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5358 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033W O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32268 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23298 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59178 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95058 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86088 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50208 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14328 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41238 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68148 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62766 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98646 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35856 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53796 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17916 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44826 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89676 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80706 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71736 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VK O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26886 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8946 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25092 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60972 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96852 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7152 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69942 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78912 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87882 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34062 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16122 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52002 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HQ O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43032 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17914 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26884 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53794 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44824 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98644 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62764 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71734 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VI O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35854 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89674 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80704 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52000 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16120 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87880 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69940 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60970 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34060 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7150 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78910 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43030 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HO O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25090 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96850 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73528 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28678 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C6 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1768 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19708 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82498 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55588 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64558 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10738 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91468 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37648 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46618 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75322 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57382 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93262 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39442 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21502 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3562 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84292 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q0 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30472 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48412 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66352 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12532 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59176 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50206 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68146 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033U O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95056 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32266 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23296 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86086 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77116 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5356 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14326 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41236 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10735 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46615 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55585 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91465 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19705 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82495 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1765 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37645 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64555 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73525 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C3 O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28675 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26881 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8941 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62761 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35851 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98641 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80701 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44821 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89671 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17911 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71731 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VF O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53791 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7147 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51997 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16117 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60967 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25087 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96847 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78907 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43027 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HL O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34057 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87877 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69937 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66349 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48409 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30469 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57379 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PX O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12529 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84289 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93259 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39439 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75319 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3559 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21499 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14323 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86083 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77113 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50203 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59173 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033R O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95053 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41233 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32263 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5353 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68143 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23293 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44824 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17914 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53794 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62764 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26884 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98644 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71734 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VI O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35854 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80704 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89674 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93262 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57382 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21502 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39442 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q0 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30472 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75322 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3562 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66352 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48412 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12532 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84292 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73528 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82498 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C6 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28678 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91468 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55588 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19708 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64558 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1768 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10738 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46618 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37648 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14326 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50206 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033U O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32266 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68146 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86086 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5356 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41236 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77116 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59176 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23296 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95056 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60970 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HO O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34060 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96850 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69940 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25090 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87880 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16120 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78910 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43030 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52000 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7150 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41238 O16 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68148 O16 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5358 O16 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23298 O16 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14328 O16 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32268 O16 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86088 O16 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77118 O16 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50208 O16 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033W O16 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95058 O16 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59178 O16 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21504 O16 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93264 O16 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39444 O16 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3564 O16 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57384 O16 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12534 O16 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75324 O16 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q2 O16 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48414 O16 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66354 O16 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30474 O16 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84294 O16 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82500 O16 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10740 O16 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91470 O16 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73530 O16 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37650 O16 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55590 O16 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46620 O16 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28680 O16 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64560 O16 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C8 O16 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19710 O16 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1770 O16 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HQ O16 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34062 O16 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87882 O16 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60972 O16 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96852 O16 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69942 O16 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25092 O16 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43032 O16 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52002 O16 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16122 O16 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78912 O16 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7152 O16 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26886 O16 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8946 O16 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62766 O16 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53796 O16 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89676 O16 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80706 O16 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71736 O16 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VK O16 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35856 O16 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17916 O16 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98646 O16 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44826 O16 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84256 O14 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66316 O14 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30436 O14 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P0 O14 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57346 O14 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21466 O14 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75286 O14 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48376 O14 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12496 O14 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93226 O14 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3526 O14 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39406 O14 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55552 O14 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91432 O14 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73492 O14 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19672 O14 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28642 O14 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B6 O14 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37612 O14 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64522 O14 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1732 O14 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82462 O14 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10702 O14 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46582 O14 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32230 O14 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41200 O14 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68110 O14 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032U O14 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86050 O14 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95020 O14 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77080 O14 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14290 O14 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59140 O14 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50170 O14 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5320 O14 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23260 O14 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89638 O14 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17878 O14 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53758 O14 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62728 O14 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98608 O14 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26848 O14 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80668 O14 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71698 O14 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UI O14 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35818 O14 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44788 O14 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8908 O14 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7114 O14 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42994 O14 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25054 O14 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51964 O14 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78874 O14 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16084 O14 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60934 O14 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96814 O14 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GO O14 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69904 O14 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87844 O14 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34024 O14 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75319 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84289 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12529 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93259 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PX O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21499 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30469 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3559 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39439 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66349 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48409 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57379 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23293 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95053 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77113 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86083 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59173 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033R O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32263 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68143 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5353 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41233 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14323 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50203 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71731 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VF O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89671 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98641 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53791 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35851 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17911 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80701 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44821 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62761 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26881 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8941 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7147 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16117 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51997 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HL O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43027 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34057 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78907 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60967 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69937 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96847 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25087 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87877 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73525 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37645 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91465 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19705 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28675 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82495 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10735 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64555 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C3 O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55585 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1765 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46615 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89671 O11 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98641 O11 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17911 O11 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8941 O11 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80701 O11 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44821 O11 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VF O11 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35851 O11 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26881 O11 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71731 O11 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53791 O11 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62761 O11 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82495 O11 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64555 O11 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10735 O11 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46615 O11 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55585 O11 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1765 O11 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91465 O11 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37645 O11 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19705 O11 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73525 O11 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C3 O11 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28675 O11 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51997 O11 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16117 O11 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7147 O11 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43027 O11 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HL O11 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60967 O11 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87877 O11 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34057 O11 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96847 O11 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78907 O11 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69937 O11 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25087 O11 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57379 O11 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3559 O11 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39439 O11 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84289 O11 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30469 O11 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12529 O11 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21499 O11 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75319 O11 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93259 O11 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48409 O11 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66349 O11 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PX O11 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14323 O11 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86083 O11 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50203 O11 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033R O11 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32263 O11 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68143 O11 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23293 O11 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95053 O11 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59173 O11 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41233 O11 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5353 O11 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77113 O11 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82464 O16 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10704 O16 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46584 O16 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28644 O16 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73494 O16 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1734 O16 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B8 O16 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37614 O16 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91434 O16 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64524 O16 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55554 O16 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19674 O16 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GQ O16 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51966 O16 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69906 O16 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34026 O16 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87846 O16 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16086 O16 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78876 O16 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96816 O16 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42996 O16 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60936 O16 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25056 O16 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7116 O16 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44790 O16 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71700 O16 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89640 O16 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17880 O16 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62730 O16 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26850 O16 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98610 O16 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8910 O16 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80670 O16 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53760 O16 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UK O16 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35820 O16 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23262 O16 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5322 O16 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50172 O16 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032W O16 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95022 O16 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59142 O16 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32232 O16 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86052 O16 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14292 O16 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77082 O16 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41202 O16 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68112 O16 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75288 O16 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39408 O16 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3528 O16 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93228 O16 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57348 O16 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21468 O16 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30438 O16 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P2 O16 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66318 O16 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84258 O16 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12498 O16 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48378 O16 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66350 O12 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PY O12 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84290 O12 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30470 O12 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12530 O12 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93260 O12 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75320 O12 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39440 O12 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57380 O12 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48410 O12 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21500 O12 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3560 O12 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78908 O12 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87878 O12 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16118 O12 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51998 O12 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43028 O12 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7148 O12 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HM O12 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34058 O12 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25088 O12 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60968 O12 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96848 O12 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69938 O12 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86085 O13 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14325 O13 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77115 O13 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41235 O13 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5355 O13 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68145 O13 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033T O13 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32265 O13 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95055 O13 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23295 O13 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50205 O13 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59175 O13 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71732 O12 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VG O12 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35852 O12 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62762 O12 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26882 O12 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98642 O12 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89672 O12 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53792 O12 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17912 O12 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44822 O12 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8942 O12 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80702 O12 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68144 O12 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32264 O12 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033S O12 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50204 O12 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86084 O12 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14324 O12 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59174 O12 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5354 O12 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77114 O12 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41234 O12 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95054 O12 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23294 O12 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82496 O12 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46616 O12 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10736 O12 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73526 O12 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C4 O12 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28676 O12 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37646 O12 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64556 O12 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55586 O12 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19706 O12 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91466 O12 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1766 O12 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82497 O13 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91467 O13 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37647 O13 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73527 O13 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19707 O13 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55587 O13 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64557 O13 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C5 O13 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10737 O13 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28677 O13 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46617 O13 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1767 O13 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30471 O13 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21501 O13 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01PZ O13 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66351 O13 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3561 O13 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84291 O13 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12531 O13 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57381 O13 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93261 O13 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48411 O13 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75321 O13 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39441 O13 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53793 O13 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VH O13 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98643 O13 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62763 O13 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26883 O13 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35853 O13 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89673 O13 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17913 O13 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80703 O13 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71733 O13 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44823 O13 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8943 O13 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43029 O13 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60969 O13 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96849 O13 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78909 O13 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69939 O13 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HN O13 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25089 O13 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM51999 O13 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87879 O13 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16119 O13 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34059 O13 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7149 O13 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OX O11 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30433 O11 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75283 O11 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84253 O11 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48373 O11 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93223 O11 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57343 O11 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3523 O11 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12493 O11 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21463 O11 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39403 O11 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66313 O11 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23257 O11 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5317 O11 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032R O11 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86047 O11 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32227 O11 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95017 O11 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77077 O11 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14287 O11 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68107 O11 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59137 O11 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41197 O11 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50167 O11 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25051 O11 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7111 O11 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60931 O11 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96811 O11 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78871 O11 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GL O11 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34021 O11 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16081 O11 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51961 O11 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87841 O11 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42991 O11 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69901 O11 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71695 O11 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53755 O11 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98605 O11 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62725 O11 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UF O11 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35815 O11 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89635 O11 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44785 O11 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17875 O11 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80665 O11 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26845 O11 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8905 O11 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B3 O11 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64519 O11 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28639 O11 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82459 O11 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91429 O11 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55549 O11 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73489 O11 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37609 O11 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10699 O11 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46579 O11 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1729 O11 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19669 O11 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q1 O15 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30473 O15 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57383 O15 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93263 O15 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21503 O15 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66353 O15 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3563 O15 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75323 O15 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48413 O15 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84293 O15 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12533 O15 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39443 O15 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62765 O15 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71735 O15 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VJ O15 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35855 O15 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8945 O15 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44825 O15 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98645 O15 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26885 O15 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53795 O15 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80705 O15 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM17915 O15 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89675 O15 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73529 O15 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82499 O15 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1769 O15 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37649 O15 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10739 O15 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55589 O15 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91469 O15 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46619 O15 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19709 O15 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64559 O15 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C7 O15 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28679 O15 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25091 O15 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7151 O15 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96851 O15 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78911 O15 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43031 O15 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60971 O15 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52001 O15 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87881 O15 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HP O15 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69941 O15 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16121 O15 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34061 O15 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77117 O15 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5357 O15 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23297 O15 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59177 O15 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41237 O15 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86087 O15 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95057 O15 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033V O15 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32267 O15 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14327 O15 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50207 O15 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68147 O15 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73493 O15 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM82463 O15 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10703 O15 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28643 O15 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1733 O15 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37613 O15 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46583 O15 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64523 O15 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B7 O15 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55553 O15 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19673 O15 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91433 O15 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01P1 O15 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30437 O15 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75287 O15 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93227 O15 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84257 O15 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39407 O15 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66317 O15 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57347 O15 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21467 O15 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12497 O15 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3527 O15 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48377 O15 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62729 O15 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98609 O15 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26849 O15 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35819 O15 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UJ O15 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80669 O15 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89639 O15 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17879 O15 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53759 O15 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71699 O15 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44789 O15 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8909 O15 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5321 O15 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23261 O15 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59141 O15 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95021 O15 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41201 O15 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77081 O15 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50171 O15 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68111 O15 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032V O15 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14291 O15 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32231 O15 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86051 O15 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87845 O15 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16085 O15 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51965 O15 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69905 O15 IHP c 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34025 O15 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GP O15 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78875 O15 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42995 O15 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60935 O15 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96815 O15 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7115 O15 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25055 O15 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17914 O14 IHP J 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8944 O14 IHP E 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM53794 O14 IHP 3 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM44824 O14 IHP Y 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM62764 O14 IHP 8 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM71734 O14 IHP d 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM26884 O14 IHP O 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM35854 O14 IHP T 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05VI O14 IHP x 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM98644 O14 IHP s 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM89674 O14 IHP n 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM80704 O14 IHP i 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM73528 O14 IHP e 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82498 O14 IHP j 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM28678 O14 IHP P 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM19708 O14 IHP K 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM55588 O14 IHP 4 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM64558 O14 IHP 9 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00C6 O14 IHP t 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM91468 O14 IHP o 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM46618 O14 IHP Z 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM10738 O14 IHP F 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1768 O14 IHP A 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM37648 O14 IHP U 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM25090 O14 IHP N 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM96850 O14 IHP r 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7150 O14 IHP D 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM43030 O14 IHP X 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM78910 O14 IHP h 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM60970 O14 IHP 7 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM16120 O14 IHP I 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM87880 O14 IHP m 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04HO O14 IHP w 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM34060 O14 IHP S 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM69940 O14 IHP c 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM52000 O14 IHP 2 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01Q0 O14 IHP u 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM30472 O14 IHP Q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM66352 O14 IHP a 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM48412 O14 IHP 0 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM57382 O14 IHP 5 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM84292 O14 IHP k 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM12532 O14 IHP G 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM21502 O14 IHP L 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM93262 O14 IHP p 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM75322 O14 IHP f 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM39442 O14 IHP V 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3562 O14 IHP B 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM86086 O14 IHP l 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5356 O14 IHP C 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM14326 O14 IHP H 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM32266 O14 IHP R 402 .*. O " rejected from bonding due to valence issues. Atom "HETATMA033U O14 IHP v 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM77116 O14 IHP g 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM41236 O14 IHP W 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM68146 O14 IHP b 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM23296 O14 IHP M 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM95056 O14 IHP q 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM50206 O14 IHP 1 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM59176 O14 IHP 6 402 .*. O " rejected from bonding due to valence issues. Atom "HETATM82461 O13 IHP j 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM10701 O13 IHP F 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM19671 O13 IHP K 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM91431 O13 IHP o 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM46581 O13 IHP Z 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA00B5 O13 IHP t 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM28641 O13 IHP P 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM55551 O13 IHP 4 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 1731 O13 IHP A 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM73491 O13 IHP e 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM37611 O13 IHP U 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM64521 O13 IHP 9 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM14289 O13 IHP H 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM86049 O13 IHP l 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM50169 O13 IHP 1 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM77079 O13 IHP g 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM41199 O13 IHP W 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM59139 O13 IHP 6 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM95019 O13 IHP q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM32229 O13 IHP R 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 5319 O13 IHP C 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM23259 O13 IHP M 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM68109 O13 IHP b 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA032T O13 IHP v 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM30435 O13 IHP Q 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA01OZ O13 IHP u 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM57345 O13 IHP 5 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM66315 O13 IHP a 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM93225 O13 IHP p 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM75285 O13 IHP f 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM21465 O13 IHP L 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM84255 O13 IHP k 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM12495 O13 IHP G 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM48375 O13 IHP 0 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM39405 O13 IHP V 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 3525 O13 IHP B 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 8907 O13 IHP E 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM80667 O13 IHP i 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM44787 O13 IHP Y 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM26847 O13 IHP O 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM98607 O13 IHP s 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM62727 O13 IHP 8 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM89637 O13 IHP n 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM17877 O13 IHP J 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM53757 O13 IHP 3 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM35817 O13 IHP T 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM71697 O13 IHP d 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA05UH O13 IHP x 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM87843 O13 IHP m 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM96813 O13 IHP r 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM34023 O13 IHP S 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM16083 O13 IHP I 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM78873 O13 IHP h 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM60933 O13 IHP 7 401 .*. O " rejected from bonding due to valence issues. Atom "HETATMA04GN O13 IHP w 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM25053 O13 IHP N 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM51963 O13 IHP 2 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM42993 O13 IHP X 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM 7113 O13 IHP D 401 .*. O " rejected from bonding due to valence issues. Atom "HETATM69903 O13 IHP c 401 .*. O " rejected from bonding due to valence issues. Number of custom bonds: simple=180, symmetry=0 Number of additional bonds: simple=180, symmetry=0 Coordination: Other bonds: Time building additional restraints: 64.29 Conformation dependent library (CDL) restraints added in 13.9 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: 24720 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: 22.72 Creating SS restraints... Processing helix chain 'A' and resid 16 through 29 Processing helix chain 'A' and resid 33 through 45 removed outlier: 4.439A pdb=" N ILE A 37 " --> pdb=" O SER A 33 " (cutoff:3.500A) Proline residue: A 38 - end of helix removed outlier: 3.873A pdb=" N GLU A 45 " --> pdb=" O SER A 41 " (cutoff:3.500A) Processing helix chain 'A' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR A 58 " --> pdb=" O THR A 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL A 59 " --> pdb=" O MET A 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY A 61 " --> pdb=" O ASN A 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA A 105 " --> pdb=" O GLY A 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY A 106 " --> pdb=" O SER A 102 " (cutoff:3.500A) Processing helix chain 'A' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS A 120 " --> pdb=" O GLY A 116 " (cutoff:3.500A) Processing helix chain 'A' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE A 129 " --> pdb=" O PRO A 125 " (cutoff:3.500A) Processing helix chain 'A' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE A 153 " --> pdb=" O SER A 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU A 190 " --> pdb=" O THR A 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL A 191 " --> pdb=" O GLU A 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE B 37 " --> pdb=" O SER B 33 " (cutoff:3.500A) Proline residue: B 38 - end of helix removed outlier: 3.873A pdb=" N GLU B 45 " --> pdb=" O SER B 41 " (cutoff:3.500A) Processing helix chain 'B' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR B 58 " --> pdb=" O THR B 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL B 59 " --> pdb=" O MET B 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY B 61 " --> pdb=" O ASN B 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA B 105 " --> pdb=" O GLY B 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY B 106 " --> pdb=" O SER B 102 " (cutoff:3.500A) Processing helix chain 'B' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS B 120 " --> pdb=" O GLY B 116 " (cutoff:3.500A) Processing helix chain 'B' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE B 129 " --> pdb=" O PRO B 125 " (cutoff:3.500A) Processing helix chain 'B' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE B 153 " --> pdb=" O SER B 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE C 37 " --> pdb=" O SER C 33 " (cutoff:3.500A) Proline residue: C 38 - end of helix removed outlier: 3.873A pdb=" N GLU C 45 " --> pdb=" O SER C 41 " (cutoff:3.500A) Processing helix chain 'C' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR C 58 " --> pdb=" O THR C 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL C 59 " --> pdb=" O MET C 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY C 61 " --> pdb=" O ASN C 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA C 105 " --> pdb=" O GLY C 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY C 106 " --> pdb=" O SER C 102 " (cutoff:3.500A) Processing helix chain 'C' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS C 120 " --> pdb=" O GLY C 116 " (cutoff:3.500A) Processing helix chain 'C' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE C 129 " --> pdb=" O PRO C 125 " (cutoff:3.500A) Processing helix chain 'C' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE C 153 " --> pdb=" O SER C 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU C 190 " --> pdb=" O THR C 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL C 191 " --> pdb=" O GLU C 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE D 37 " --> pdb=" O SER D 33 " (cutoff:3.500A) Proline residue: D 38 - end of helix removed outlier: 3.873A pdb=" N GLU D 45 " --> pdb=" O SER D 41 " (cutoff:3.500A) Processing helix chain 'D' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR D 58 " --> pdb=" O THR D 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL D 59 " --> pdb=" O MET D 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY D 61 " --> pdb=" O ASN D 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA D 105 " --> pdb=" O GLY D 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY D 106 " --> pdb=" O SER D 102 " (cutoff:3.500A) Processing helix chain 'D' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS D 120 " --> pdb=" O GLY D 116 " (cutoff:3.500A) Processing helix chain 'D' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE D 129 " --> pdb=" O PRO D 125 " (cutoff:3.500A) Processing helix chain 'D' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE D 153 " --> pdb=" O SER D 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU D 190 " --> pdb=" O THR D 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL D 191 " --> pdb=" O GLU D 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE E 37 " --> pdb=" O SER E 33 " (cutoff:3.500A) Proline residue: E 38 - end of helix removed outlier: 3.873A pdb=" N GLU E 45 " --> pdb=" O SER E 41 " (cutoff:3.500A) Processing helix chain 'E' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR E 58 " --> pdb=" O THR E 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL E 59 " --> pdb=" O MET E 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY E 61 " --> pdb=" O ASN E 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA E 105 " --> pdb=" O GLY E 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY E 106 " --> pdb=" O SER E 102 " (cutoff:3.500A) Processing helix chain 'E' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS E 120 " --> pdb=" O GLY E 116 " (cutoff:3.500A) Processing helix chain 'E' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE E 129 " --> pdb=" O PRO E 125 " (cutoff:3.500A) Processing helix chain 'E' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE E 153 " --> pdb=" O SER E 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU E 190 " --> pdb=" O THR E 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL E 191 " --> pdb=" O GLU E 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE F 37 " --> pdb=" O SER F 33 " (cutoff:3.500A) Proline residue: F 38 - end of helix removed outlier: 3.873A pdb=" N GLU F 45 " --> pdb=" O SER F 41 " (cutoff:3.500A) Processing helix chain 'F' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR F 58 " --> pdb=" O THR F 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL F 59 " --> pdb=" O MET F 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY F 61 " --> pdb=" O ASN F 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA F 105 " --> pdb=" O GLY F 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY F 106 " --> pdb=" O SER F 102 " (cutoff:3.500A) Processing helix chain 'F' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS F 120 " --> pdb=" O GLY F 116 " (cutoff:3.500A) Processing helix chain 'F' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE F 129 " --> pdb=" O PRO F 125 " (cutoff:3.500A) Processing helix chain 'F' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE F 153 " --> pdb=" O SER F 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU F 190 " --> pdb=" O THR F 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL F 191 " --> pdb=" O GLU F 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE G 37 " --> pdb=" O SER G 33 " (cutoff:3.500A) Proline residue: G 38 - end of helix removed outlier: 3.873A pdb=" N GLU G 45 " --> pdb=" O SER G 41 " (cutoff:3.500A) Processing helix chain 'G' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR G 58 " --> pdb=" O THR G 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL G 59 " --> pdb=" O MET G 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY G 61 " --> pdb=" O ASN G 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA G 105 " --> pdb=" O GLY G 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY G 106 " --> pdb=" O SER G 102 " (cutoff:3.500A) Processing helix chain 'G' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS G 120 " --> pdb=" O GLY G 116 " (cutoff:3.500A) Processing helix chain 'G' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE G 129 " --> pdb=" O PRO G 125 " (cutoff:3.500A) Processing helix chain 'G' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE G 153 " --> pdb=" O SER G 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE H 37 " --> pdb=" O SER H 33 " (cutoff:3.500A) Proline residue: H 38 - end of helix removed outlier: 3.873A pdb=" N GLU H 45 " --> pdb=" O SER H 41 " (cutoff:3.500A) Processing helix chain 'H' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR H 58 " --> pdb=" O THR H 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL H 59 " --> pdb=" O MET H 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY H 61 " --> pdb=" O ASN H 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA H 105 " --> pdb=" O GLY H 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY H 106 " --> pdb=" O SER H 102 " (cutoff:3.500A) Processing helix chain 'H' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS H 120 " --> pdb=" O GLY H 116 " (cutoff:3.500A) Processing helix chain 'H' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE H 129 " --> pdb=" O PRO H 125 " (cutoff:3.500A) Processing helix chain 'H' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE H 153 " --> pdb=" O SER H 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU H 190 " --> pdb=" O THR H 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL H 191 " --> pdb=" O GLU H 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE I 37 " --> pdb=" O SER I 33 " (cutoff:3.500A) Proline residue: I 38 - end of helix removed outlier: 3.873A pdb=" N GLU I 45 " --> pdb=" O SER I 41 " (cutoff:3.500A) Processing helix chain 'I' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR I 58 " --> pdb=" O THR I 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL I 59 " --> pdb=" O MET I 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY I 61 " --> pdb=" O ASN I 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA I 105 " --> pdb=" O GLY I 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY I 106 " --> pdb=" O SER I 102 " (cutoff:3.500A) Processing helix chain 'I' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS I 120 " --> pdb=" O GLY I 116 " (cutoff:3.500A) Processing helix chain 'I' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE I 129 " --> pdb=" O PRO I 125 " (cutoff:3.500A) Processing helix chain 'I' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE I 153 " --> pdb=" O SER I 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU I 190 " --> pdb=" O THR I 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL I 191 " --> pdb=" O GLU I 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE J 37 " --> pdb=" O SER J 33 " (cutoff:3.500A) Proline residue: J 38 - end of helix removed outlier: 3.873A pdb=" N GLU J 45 " --> pdb=" O SER J 41 " (cutoff:3.500A) Processing helix chain 'J' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR J 58 " --> pdb=" O THR J 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL J 59 " --> pdb=" O MET J 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY J 61 " --> pdb=" O ASN J 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA J 105 " --> pdb=" O GLY J 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY J 106 " --> pdb=" O SER J 102 " (cutoff:3.500A) Processing helix chain 'J' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS J 120 " --> pdb=" O GLY J 116 " (cutoff:3.500A) Processing helix chain 'J' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE J 129 " --> pdb=" O PRO J 125 " (cutoff:3.500A) Processing helix chain 'J' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE J 153 " --> pdb=" O SER J 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU J 190 " --> pdb=" O THR J 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL J 191 " --> pdb=" O GLU J 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE K 37 " --> pdb=" O SER K 33 " (cutoff:3.500A) Proline residue: K 38 - end of helix removed outlier: 3.873A pdb=" N GLU K 45 " --> pdb=" O SER K 41 " (cutoff:3.500A) Processing helix chain 'K' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR K 58 " --> pdb=" O THR K 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL K 59 " --> pdb=" O MET K 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY K 61 " --> pdb=" O ASN K 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA K 105 " --> pdb=" O GLY K 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY K 106 " --> pdb=" O SER K 102 " (cutoff:3.500A) Processing helix chain 'K' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS K 120 " --> pdb=" O GLY K 116 " (cutoff:3.500A) Processing helix chain 'K' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE K 129 " --> pdb=" O PRO K 125 " (cutoff:3.500A) Processing helix chain 'K' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE K 153 " --> pdb=" O SER K 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU K 190 " --> pdb=" O THR K 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL K 191 " --> pdb=" O GLU K 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE L 37 " --> pdb=" O SER L 33 " (cutoff:3.500A) Proline residue: L 38 - end of helix removed outlier: 3.873A pdb=" N GLU L 45 " --> pdb=" O SER L 41 " (cutoff:3.500A) Processing helix chain 'L' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR L 58 " --> pdb=" O THR L 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL L 59 " --> pdb=" O MET L 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY L 61 " --> pdb=" O ASN L 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA L 105 " --> pdb=" O GLY L 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY L 106 " --> pdb=" O SER L 102 " (cutoff:3.500A) Processing helix chain 'L' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS L 120 " --> pdb=" O GLY L 116 " (cutoff:3.500A) Processing helix chain 'L' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE L 129 " --> pdb=" O PRO L 125 " (cutoff:3.500A) Processing helix chain 'L' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE L 153 " --> pdb=" O SER L 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE M 37 " --> pdb=" O SER M 33 " (cutoff:3.500A) Proline residue: M 38 - end of helix removed outlier: 3.873A pdb=" N GLU M 45 " --> pdb=" O SER M 41 " (cutoff:3.500A) Processing helix chain 'M' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR M 58 " --> pdb=" O THR M 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL M 59 " --> pdb=" O MET M 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY M 61 " --> pdb=" O ASN M 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA M 105 " --> pdb=" O GLY M 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY M 106 " --> pdb=" O SER M 102 " (cutoff:3.500A) Processing helix chain 'M' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS M 120 " --> pdb=" O GLY M 116 " (cutoff:3.500A) Processing helix chain 'M' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE M 129 " --> pdb=" O PRO M 125 " (cutoff:3.500A) Processing helix chain 'M' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE M 153 " --> pdb=" O SER M 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU M 190 " --> pdb=" O THR M 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL M 191 " --> pdb=" O GLU M 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE N 37 " --> pdb=" O SER N 33 " (cutoff:3.500A) Proline residue: N 38 - end of helix removed outlier: 3.873A pdb=" N GLU N 45 " --> pdb=" O SER N 41 " (cutoff:3.500A) Processing helix chain 'N' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR N 58 " --> pdb=" O THR N 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL N 59 " --> pdb=" O MET N 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY N 61 " --> pdb=" O ASN N 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA N 105 " --> pdb=" O GLY N 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY N 106 " --> pdb=" O SER N 102 " (cutoff:3.500A) Processing helix chain 'N' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS N 120 " --> pdb=" O GLY N 116 " (cutoff:3.500A) Processing helix chain 'N' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE N 129 " --> pdb=" O PRO N 125 " (cutoff:3.500A) Processing helix chain 'N' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE N 153 " --> pdb=" O SER N 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU N 190 " --> pdb=" O THR N 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL N 191 " --> pdb=" O GLU N 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE O 37 " --> pdb=" O SER O 33 " (cutoff:3.500A) Proline residue: O 38 - end of helix removed outlier: 3.873A pdb=" N GLU O 45 " --> pdb=" O SER O 41 " (cutoff:3.500A) Processing helix chain 'O' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR O 58 " --> pdb=" O THR O 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL O 59 " --> pdb=" O MET O 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY O 61 " --> pdb=" O ASN O 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA O 105 " --> pdb=" O GLY O 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY O 106 " --> pdb=" O SER O 102 " (cutoff:3.500A) Processing helix chain 'O' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS O 120 " --> pdb=" O GLY O 116 " (cutoff:3.500A) Processing helix chain 'O' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE O 129 " --> pdb=" O PRO O 125 " (cutoff:3.500A) Processing helix chain 'O' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE O 153 " --> pdb=" O SER O 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU O 190 " --> pdb=" O THR O 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL O 191 " --> pdb=" O GLU O 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE P 37 " --> pdb=" O SER P 33 " (cutoff:3.500A) Proline residue: P 38 - end of helix removed outlier: 3.873A pdb=" N GLU P 45 " --> pdb=" O SER P 41 " (cutoff:3.500A) Processing helix chain 'P' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR P 58 " --> pdb=" O THR P 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL P 59 " --> pdb=" O MET P 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY P 61 " --> pdb=" O ASN P 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA P 105 " --> pdb=" O GLY P 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY P 106 " --> pdb=" O SER P 102 " (cutoff:3.500A) Processing helix chain 'P' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS P 120 " --> pdb=" O GLY P 116 " (cutoff:3.500A) Processing helix chain 'P' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE P 129 " --> pdb=" O PRO P 125 " (cutoff:3.500A) Processing helix chain 'P' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE P 153 " --> pdb=" O SER P 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU P 190 " --> pdb=" O THR P 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL P 191 " --> pdb=" O GLU P 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE Q 37 " --> pdb=" O SER Q 33 " (cutoff:3.500A) Proline residue: Q 38 - end of helix removed outlier: 3.873A pdb=" N GLU Q 45 " --> pdb=" O SER Q 41 " (cutoff:3.500A) Processing helix chain 'Q' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR Q 58 " --> pdb=" O THR Q 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL Q 59 " --> pdb=" O MET Q 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY Q 61 " --> pdb=" O ASN Q 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA Q 105 " --> pdb=" O GLY Q 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY Q 106 " --> pdb=" O SER Q 102 " (cutoff:3.500A) Processing helix chain 'Q' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS Q 120 " --> pdb=" O GLY Q 116 " (cutoff:3.500A) Processing helix chain 'Q' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE Q 129 " --> pdb=" O PRO Q 125 " (cutoff:3.500A) Processing helix chain 'Q' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE Q 153 " --> pdb=" O SER Q 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE R 37 " --> pdb=" O SER R 33 " (cutoff:3.500A) Proline residue: R 38 - end of helix removed outlier: 3.873A pdb=" N GLU R 45 " --> pdb=" O SER R 41 " (cutoff:3.500A) Processing helix chain 'R' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR R 58 " --> pdb=" O THR R 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL R 59 " --> pdb=" O MET R 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY R 61 " --> pdb=" O ASN R 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA R 105 " --> pdb=" O GLY R 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY R 106 " --> pdb=" O SER R 102 " (cutoff:3.500A) Processing helix chain 'R' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS R 120 " --> pdb=" O GLY R 116 " (cutoff:3.500A) Processing helix chain 'R' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE R 129 " --> pdb=" O PRO R 125 " (cutoff:3.500A) Processing helix chain 'R' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE R 153 " --> pdb=" O SER R 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU R 190 " --> pdb=" O THR R 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL R 191 " --> pdb=" O GLU R 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE S 37 " --> pdb=" O SER S 33 " (cutoff:3.500A) Proline residue: S 38 - end of helix removed outlier: 3.873A pdb=" N GLU S 45 " --> pdb=" O SER S 41 " (cutoff:3.500A) Processing helix chain 'S' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR S 58 " --> pdb=" O THR S 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL S 59 " --> pdb=" O MET S 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY S 61 " --> pdb=" O ASN S 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA S 105 " --> pdb=" O GLY S 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY S 106 " --> pdb=" O SER S 102 " (cutoff:3.500A) Processing helix chain 'S' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS S 120 " --> pdb=" O GLY S 116 " (cutoff:3.500A) Processing helix chain 'S' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE S 129 " --> pdb=" O PRO S 125 " (cutoff:3.500A) Processing helix chain 'S' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE S 153 " --> pdb=" O SER S 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU S 190 " --> pdb=" O THR S 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL S 191 " --> pdb=" O GLU S 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE T 37 " --> pdb=" O SER T 33 " (cutoff:3.500A) Proline residue: T 38 - end of helix removed outlier: 3.873A pdb=" N GLU T 45 " --> pdb=" O SER T 41 " (cutoff:3.500A) Processing helix chain 'T' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR T 58 " --> pdb=" O THR T 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL T 59 " --> pdb=" O MET T 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY T 61 " --> pdb=" O ASN T 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA T 105 " --> pdb=" O GLY T 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY T 106 " --> pdb=" O SER T 102 " (cutoff:3.500A) Processing helix chain 'T' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS T 120 " --> pdb=" O GLY T 116 " (cutoff:3.500A) Processing helix chain 'T' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE T 129 " --> pdb=" O PRO T 125 " (cutoff:3.500A) Processing helix chain 'T' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE T 153 " --> pdb=" O SER T 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU T 190 " --> pdb=" O THR T 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL T 191 " --> pdb=" O GLU T 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE U 37 " --> pdb=" O SER U 33 " (cutoff:3.500A) Proline residue: U 38 - end of helix removed outlier: 3.873A pdb=" N GLU U 45 " --> pdb=" O SER U 41 " (cutoff:3.500A) Processing helix chain 'U' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR U 58 " --> pdb=" O THR U 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL U 59 " --> pdb=" O MET U 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY U 61 " --> pdb=" O ASN U 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA U 105 " --> pdb=" O GLY U 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY U 106 " --> pdb=" O SER U 102 " (cutoff:3.500A) Processing helix chain 'U' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS U 120 " --> pdb=" O GLY U 116 " (cutoff:3.500A) Processing helix chain 'U' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE U 129 " --> pdb=" O PRO U 125 " (cutoff:3.500A) Processing helix chain 'U' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE U 153 " --> pdb=" O SER U 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU U 190 " --> pdb=" O THR U 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL U 191 " --> pdb=" O GLU U 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE V 37 " --> pdb=" O SER V 33 " (cutoff:3.500A) Proline residue: V 38 - end of helix removed outlier: 3.873A pdb=" N GLU V 45 " --> pdb=" O SER V 41 " (cutoff:3.500A) Processing helix chain 'V' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR V 58 " --> pdb=" O THR V 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL V 59 " --> pdb=" O MET V 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY V 61 " --> pdb=" O ASN V 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA V 105 " --> pdb=" O GLY V 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY V 106 " --> pdb=" O SER V 102 " (cutoff:3.500A) Processing helix chain 'V' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS V 120 " --> pdb=" O GLY V 116 " (cutoff:3.500A) Processing helix chain 'V' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE V 129 " --> pdb=" O PRO V 125 " (cutoff:3.500A) Processing helix chain 'V' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE V 153 " --> pdb=" O SER V 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE W 37 " --> pdb=" O SER W 33 " (cutoff:3.500A) Proline residue: W 38 - end of helix removed outlier: 3.873A pdb=" N GLU W 45 " --> pdb=" O SER W 41 " (cutoff:3.500A) Processing helix chain 'W' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR W 58 " --> pdb=" O THR W 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL W 59 " --> pdb=" O MET W 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY W 61 " --> pdb=" O ASN W 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA W 105 " --> pdb=" O GLY W 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY W 106 " --> pdb=" O SER W 102 " (cutoff:3.500A) Processing helix chain 'W' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS W 120 " --> pdb=" O GLY W 116 " (cutoff:3.500A) Processing helix chain 'W' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE W 129 " --> pdb=" O PRO W 125 " (cutoff:3.500A) Processing helix chain 'W' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE W 153 " --> pdb=" O SER W 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU W 190 " --> pdb=" O THR W 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL W 191 " --> pdb=" O GLU W 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE X 37 " --> pdb=" O SER X 33 " (cutoff:3.500A) Proline residue: X 38 - end of helix removed outlier: 3.873A pdb=" N GLU X 45 " --> pdb=" O SER X 41 " (cutoff:3.500A) Processing helix chain 'X' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR X 58 " --> pdb=" O THR X 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL X 59 " --> pdb=" O MET X 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY X 61 " --> pdb=" O ASN X 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA X 105 " --> pdb=" O GLY X 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY X 106 " --> pdb=" O SER X 102 " (cutoff:3.500A) Processing helix chain 'X' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS X 120 " --> pdb=" O GLY X 116 " (cutoff:3.500A) Processing helix chain 'X' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE X 129 " --> pdb=" O PRO X 125 " (cutoff:3.500A) Processing helix chain 'X' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE X 153 " --> pdb=" O SER X 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU X 190 " --> pdb=" O THR X 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL X 191 " --> pdb=" O GLU X 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE Y 37 " --> pdb=" O SER Y 33 " (cutoff:3.500A) Proline residue: Y 38 - end of helix removed outlier: 3.873A pdb=" N GLU Y 45 " --> pdb=" O SER Y 41 " (cutoff:3.500A) Processing helix chain 'Y' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR Y 58 " --> pdb=" O THR Y 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL Y 59 " --> pdb=" O MET Y 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY Y 61 " --> pdb=" O ASN Y 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA Y 105 " --> pdb=" O GLY Y 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY Y 106 " --> pdb=" O SER Y 102 " (cutoff:3.500A) Processing helix chain 'Y' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS Y 120 " --> pdb=" O GLY Y 116 " (cutoff:3.500A) Processing helix chain 'Y' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE Y 129 " --> pdb=" O PRO Y 125 " (cutoff:3.500A) Processing helix chain 'Y' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE Y 153 " --> pdb=" O SER Y 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU Y 190 " --> pdb=" O THR Y 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL Y 191 " --> pdb=" O GLU Y 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE Z 37 " --> pdb=" O SER Z 33 " (cutoff:3.500A) Proline residue: Z 38 - end of helix removed outlier: 3.873A pdb=" N GLU Z 45 " --> pdb=" O SER Z 41 " (cutoff:3.500A) Processing helix chain 'Z' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR Z 58 " --> pdb=" O THR Z 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL Z 59 " --> pdb=" O MET Z 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY Z 61 " --> pdb=" O ASN Z 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA Z 105 " --> pdb=" O GLY Z 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY Z 106 " --> pdb=" O SER Z 102 " (cutoff:3.500A) Processing helix chain 'Z' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS Z 120 " --> pdb=" O GLY Z 116 " (cutoff:3.500A) Processing helix chain 'Z' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE Z 129 " --> pdb=" O PRO Z 125 " (cutoff:3.500A) Processing helix chain 'Z' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE Z 153 " --> pdb=" O SER Z 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU Z 190 " --> pdb=" O THR Z 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL Z 191 " --> pdb=" O GLU Z 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE 0 37 " --> pdb=" O SER 0 33 " (cutoff:3.500A) Proline residue: 0 38 - end of helix removed outlier: 3.873A pdb=" N GLU 0 45 " --> pdb=" O SER 0 41 " (cutoff:3.500A) Processing helix chain '0' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 0 58 " --> pdb=" O THR 0 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL 0 59 " --> pdb=" O MET 0 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY 0 61 " --> pdb=" O ASN 0 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 0 105 " --> pdb=" O GLY 0 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 0 106 " --> pdb=" O SER 0 102 " (cutoff:3.500A) Processing helix chain '0' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 0 120 " --> pdb=" O GLY 0 116 " (cutoff:3.500A) Processing helix chain '0' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 0 129 " --> pdb=" O PRO 0 125 " (cutoff:3.500A) Processing helix chain '0' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 0 153 " --> pdb=" O SER 0 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE 1 37 " --> pdb=" O SER 1 33 " (cutoff:3.500A) Proline residue: 1 38 - end of helix removed outlier: 3.873A pdb=" N GLU 1 45 " --> pdb=" O SER 1 41 " (cutoff:3.500A) Processing helix chain '1' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR 1 58 " --> pdb=" O THR 1 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL 1 59 " --> pdb=" O MET 1 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 1 61 " --> pdb=" O ASN 1 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA 1 105 " --> pdb=" O GLY 1 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 1 106 " --> pdb=" O SER 1 102 " (cutoff:3.500A) Processing helix chain '1' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS 1 120 " --> pdb=" O GLY 1 116 " (cutoff:3.500A) Processing helix chain '1' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 1 129 " --> pdb=" O PRO 1 125 " (cutoff:3.500A) Processing helix chain '1' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 1 153 " --> pdb=" O SER 1 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 1 190 " --> pdb=" O THR 1 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 1 191 " --> pdb=" O GLU 1 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE 2 37 " --> pdb=" O SER 2 33 " (cutoff:3.500A) Proline residue: 2 38 - end of helix removed outlier: 3.873A pdb=" N GLU 2 45 " --> pdb=" O SER 2 41 " (cutoff:3.500A) Processing helix chain '2' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 2 58 " --> pdb=" O THR 2 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 2 59 " --> pdb=" O MET 2 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 2 61 " --> pdb=" O ASN 2 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 2 105 " --> pdb=" O GLY 2 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY 2 106 " --> pdb=" O SER 2 102 " (cutoff:3.500A) Processing helix chain '2' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 2 120 " --> pdb=" O GLY 2 116 " (cutoff:3.500A) Processing helix chain '2' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE 2 129 " --> pdb=" O PRO 2 125 " (cutoff:3.500A) Processing helix chain '2' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 2 153 " --> pdb=" O SER 2 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 2 190 " --> pdb=" O THR 2 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 2 191 " --> pdb=" O GLU 2 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE 3 37 " --> pdb=" O SER 3 33 " (cutoff:3.500A) Proline residue: 3 38 - end of helix removed outlier: 3.873A pdb=" N GLU 3 45 " --> pdb=" O SER 3 41 " (cutoff:3.500A) Processing helix chain '3' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 3 58 " --> pdb=" O THR 3 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 3 59 " --> pdb=" O MET 3 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 3 61 " --> pdb=" O ASN 3 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 3 105 " --> pdb=" O GLY 3 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 3 106 " --> pdb=" O SER 3 102 " (cutoff:3.500A) Processing helix chain '3' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 3 120 " --> pdb=" O GLY 3 116 " (cutoff:3.500A) Processing helix chain '3' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 3 129 " --> pdb=" O PRO 3 125 " (cutoff:3.500A) Processing helix chain '3' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 3 153 " --> pdb=" O SER 3 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 3 190 " --> pdb=" O THR 3 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL 3 191 " --> pdb=" O GLU 3 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE 4 37 " --> pdb=" O SER 4 33 " (cutoff:3.500A) Proline residue: 4 38 - end of helix removed outlier: 3.873A pdb=" N GLU 4 45 " --> pdb=" O SER 4 41 " (cutoff:3.500A) Processing helix chain '4' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 4 58 " --> pdb=" O THR 4 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 4 59 " --> pdb=" O MET 4 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 4 61 " --> pdb=" O ASN 4 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 4 105 " --> pdb=" O GLY 4 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 4 106 " --> pdb=" O SER 4 102 " (cutoff:3.500A) Processing helix chain '4' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 4 120 " --> pdb=" O GLY 4 116 " (cutoff:3.500A) Processing helix chain '4' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 4 129 " --> pdb=" O PRO 4 125 " (cutoff:3.500A) Processing helix chain '4' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 4 153 " --> pdb=" O SER 4 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 4 190 " --> pdb=" O THR 4 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL 4 191 " --> pdb=" O GLU 4 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE 5 37 " --> pdb=" O SER 5 33 " (cutoff:3.500A) Proline residue: 5 38 - end of helix removed outlier: 3.873A pdb=" N GLU 5 45 " --> pdb=" O SER 5 41 " (cutoff:3.500A) Processing helix chain '5' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 5 58 " --> pdb=" O THR 5 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL 5 59 " --> pdb=" O MET 5 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY 5 61 " --> pdb=" O ASN 5 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 5 105 " --> pdb=" O GLY 5 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 5 106 " --> pdb=" O SER 5 102 " (cutoff:3.500A) Processing helix chain '5' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 5 120 " --> pdb=" O GLY 5 116 " (cutoff:3.500A) Processing helix chain '5' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 5 129 " --> pdb=" O PRO 5 125 " (cutoff:3.500A) Processing helix chain '5' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 5 153 " --> pdb=" O SER 5 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE 6 37 " --> pdb=" O SER 6 33 " (cutoff:3.500A) Proline residue: 6 38 - end of helix removed outlier: 3.873A pdb=" N GLU 6 45 " --> pdb=" O SER 6 41 " (cutoff:3.500A) Processing helix chain '6' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR 6 58 " --> pdb=" O THR 6 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL 6 59 " --> pdb=" O MET 6 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 6 61 " --> pdb=" O ASN 6 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA 6 105 " --> pdb=" O GLY 6 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 6 106 " --> pdb=" O SER 6 102 " (cutoff:3.500A) Processing helix chain '6' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS 6 120 " --> pdb=" O GLY 6 116 " (cutoff:3.500A) Processing helix chain '6' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 6 129 " --> pdb=" O PRO 6 125 " (cutoff:3.500A) Processing helix chain '6' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 6 153 " --> pdb=" O SER 6 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 6 190 " --> pdb=" O THR 6 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 6 191 " --> pdb=" O GLU 6 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE 7 37 " --> pdb=" O SER 7 33 " (cutoff:3.500A) Proline residue: 7 38 - end of helix removed outlier: 3.873A pdb=" N GLU 7 45 " --> pdb=" O SER 7 41 " (cutoff:3.500A) Processing helix chain '7' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 7 58 " --> pdb=" O THR 7 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 7 59 " --> pdb=" O MET 7 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 7 61 " --> pdb=" O ASN 7 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 7 105 " --> pdb=" O GLY 7 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY 7 106 " --> pdb=" O SER 7 102 " (cutoff:3.500A) Processing helix chain '7' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 7 120 " --> pdb=" O GLY 7 116 " (cutoff:3.500A) Processing helix chain '7' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE 7 129 " --> pdb=" O PRO 7 125 " (cutoff:3.500A) Processing helix chain '7' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 7 153 " --> pdb=" O SER 7 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 7 190 " --> pdb=" O THR 7 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL 7 191 " --> pdb=" O GLU 7 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE 8 37 " --> pdb=" O SER 8 33 " (cutoff:3.500A) Proline residue: 8 38 - end of helix removed outlier: 3.873A pdb=" N GLU 8 45 " --> pdb=" O SER 8 41 " (cutoff:3.500A) Processing helix chain '8' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 8 58 " --> pdb=" O THR 8 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 8 59 " --> pdb=" O MET 8 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 8 61 " --> pdb=" O ASN 8 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 8 105 " --> pdb=" O GLY 8 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 8 106 " --> pdb=" O SER 8 102 " (cutoff:3.500A) Processing helix chain '8' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 8 120 " --> pdb=" O GLY 8 116 " (cutoff:3.500A) Processing helix chain '8' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 8 129 " --> pdb=" O PRO 8 125 " (cutoff:3.500A) Processing helix chain '8' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 8 153 " --> pdb=" O SER 8 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 8 190 " --> pdb=" O THR 8 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL 8 191 " --> pdb=" O GLU 8 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE 9 37 " --> pdb=" O SER 9 33 " (cutoff:3.500A) Proline residue: 9 38 - end of helix removed outlier: 3.873A pdb=" N GLU 9 45 " --> pdb=" O SER 9 41 " (cutoff:3.500A) Processing helix chain '9' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR 9 58 " --> pdb=" O THR 9 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL 9 59 " --> pdb=" O MET 9 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY 9 61 " --> pdb=" O ASN 9 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA 9 105 " --> pdb=" O GLY 9 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY 9 106 " --> pdb=" O SER 9 102 " (cutoff:3.500A) Processing helix chain '9' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS 9 120 " --> pdb=" O GLY 9 116 " (cutoff:3.500A) Processing helix chain '9' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE 9 129 " --> pdb=" O PRO 9 125 " (cutoff:3.500A) Processing helix chain '9' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE 9 153 " --> pdb=" O SER 9 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU 9 190 " --> pdb=" O THR 9 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL 9 191 " --> pdb=" O GLU 9 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE a 37 " --> pdb=" O SER a 33 " (cutoff:3.500A) Proline residue: a 38 - end of helix removed outlier: 3.873A pdb=" N GLU a 45 " --> pdb=" O SER a 41 " (cutoff:3.500A) Processing helix chain 'a' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR a 58 " --> pdb=" O THR a 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL a 59 " --> pdb=" O MET a 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY a 61 " --> pdb=" O ASN a 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA a 105 " --> pdb=" O GLY a 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY a 106 " --> pdb=" O SER a 102 " (cutoff:3.500A) Processing helix chain 'a' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS a 120 " --> pdb=" O GLY a 116 " (cutoff:3.500A) Processing helix chain 'a' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE a 129 " --> pdb=" O PRO a 125 " (cutoff:3.500A) Processing helix chain 'a' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE a 153 " --> pdb=" O SER a 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE b 37 " --> pdb=" O SER b 33 " (cutoff:3.500A) Proline residue: b 38 - end of helix removed outlier: 3.873A pdb=" N GLU b 45 " --> pdb=" O SER b 41 " (cutoff:3.500A) Processing helix chain 'b' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR b 58 " --> pdb=" O THR b 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL b 59 " --> pdb=" O MET b 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY b 61 " --> pdb=" O ASN b 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA b 105 " --> pdb=" O GLY b 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY b 106 " --> pdb=" O SER b 102 " (cutoff:3.500A) Processing helix chain 'b' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS b 120 " --> pdb=" O GLY b 116 " (cutoff:3.500A) Processing helix chain 'b' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE b 129 " --> pdb=" O PRO b 125 " (cutoff:3.500A) Processing helix chain 'b' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE b 153 " --> pdb=" O SER b 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A 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: 3.559A 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: 4.439A pdb=" N ILE c 37 " --> pdb=" O SER c 33 " (cutoff:3.500A) Proline residue: c 38 - end of helix removed outlier: 3.873A pdb=" N GLU c 45 " --> pdb=" O SER c 41 " (cutoff:3.500A) Processing helix chain 'c' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR c 58 " --> pdb=" O THR c 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL c 59 " --> pdb=" O MET c 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY c 61 " --> pdb=" O ASN c 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA c 105 " --> pdb=" O GLY c 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY c 106 " --> pdb=" O SER c 102 " (cutoff:3.500A) Processing helix chain 'c' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS c 120 " --> pdb=" O GLY c 116 " (cutoff:3.500A) Processing helix chain 'c' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE c 129 " --> pdb=" O PRO c 125 " (cutoff:3.500A) Processing helix chain 'c' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE c 153 " --> pdb=" O SER c 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU c 190 " --> pdb=" O THR c 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL c 191 " --> pdb=" O GLU c 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE d 37 " --> pdb=" O SER d 33 " (cutoff:3.500A) Proline residue: d 38 - end of helix removed outlier: 3.873A pdb=" N GLU d 45 " --> pdb=" O SER d 41 " (cutoff:3.500A) Processing helix chain 'd' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR d 58 " --> pdb=" O THR d 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL d 59 " --> pdb=" O MET d 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY d 61 " --> pdb=" O ASN d 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA d 105 " --> pdb=" O GLY d 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY d 106 " --> pdb=" O SER d 102 " (cutoff:3.500A) Processing helix chain 'd' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS d 120 " --> pdb=" O GLY d 116 " (cutoff:3.500A) Processing helix chain 'd' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE d 129 " --> pdb=" O PRO d 125 " (cutoff:3.500A) Processing helix chain 'd' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE d 153 " --> pdb=" O SER d 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU d 190 " --> pdb=" O THR d 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL d 191 " --> pdb=" O GLU d 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE e 37 " --> pdb=" O SER e 33 " (cutoff:3.500A) Proline residue: e 38 - end of helix removed outlier: 3.873A pdb=" N GLU e 45 " --> pdb=" O SER e 41 " (cutoff:3.500A) Processing helix chain 'e' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR e 58 " --> pdb=" O THR e 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL e 59 " --> pdb=" O MET e 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY e 61 " --> pdb=" O ASN e 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA e 105 " --> pdb=" O GLY e 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY e 106 " --> pdb=" O SER e 102 " (cutoff:3.500A) Processing helix chain 'e' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS e 120 " --> pdb=" O GLY e 116 " (cutoff:3.500A) Processing helix chain 'e' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE e 129 " --> pdb=" O PRO e 125 " (cutoff:3.500A) Processing helix chain 'e' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE e 153 " --> pdb=" O SER e 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU e 190 " --> pdb=" O THR e 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL e 191 " --> pdb=" O GLU e 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE f 37 " --> pdb=" O SER f 33 " (cutoff:3.500A) Proline residue: f 38 - end of helix removed outlier: 3.873A pdb=" N GLU f 45 " --> pdb=" O SER f 41 " (cutoff:3.500A) Processing helix chain 'f' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR f 58 " --> pdb=" O THR f 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL f 59 " --> pdb=" O MET f 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY f 61 " --> pdb=" O ASN f 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA f 105 " --> pdb=" O GLY f 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY f 106 " --> pdb=" O SER f 102 " (cutoff:3.500A) Processing helix chain 'f' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS f 120 " --> pdb=" O GLY f 116 " (cutoff:3.500A) Processing helix chain 'f' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE f 129 " --> pdb=" O PRO f 125 " (cutoff:3.500A) Processing helix chain 'f' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE f 153 " --> pdb=" O SER f 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE g 37 " --> pdb=" O SER g 33 " (cutoff:3.500A) Proline residue: g 38 - end of helix removed outlier: 3.873A pdb=" N GLU g 45 " --> pdb=" O SER g 41 " (cutoff:3.500A) Processing helix chain 'g' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR g 58 " --> pdb=" O THR g 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL g 59 " --> pdb=" O MET g 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY g 61 " --> pdb=" O ASN g 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA g 105 " --> pdb=" O GLY g 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY g 106 " --> pdb=" O SER g 102 " (cutoff:3.500A) Processing helix chain 'g' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS g 120 " --> pdb=" O GLY g 116 " (cutoff:3.500A) Processing helix chain 'g' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE g 129 " --> pdb=" O PRO g 125 " (cutoff:3.500A) Processing helix chain 'g' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE g 153 " --> pdb=" O SER g 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A 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: 3.559A 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: 4.439A pdb=" N ILE h 37 " --> pdb=" O SER h 33 " (cutoff:3.500A) Proline residue: h 38 - end of helix removed outlier: 3.873A pdb=" N GLU h 45 " --> pdb=" O SER h 41 " (cutoff:3.500A) Processing helix chain 'h' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR h 58 " --> pdb=" O THR h 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL h 59 " --> pdb=" O MET h 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY h 61 " --> pdb=" O ASN h 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA h 105 " --> pdb=" O GLY h 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY h 106 " --> pdb=" O SER h 102 " (cutoff:3.500A) Processing helix chain 'h' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS h 120 " --> pdb=" O GLY h 116 " (cutoff:3.500A) Processing helix chain 'h' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE h 129 " --> pdb=" O PRO h 125 " (cutoff:3.500A) Processing helix chain 'h' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE h 153 " --> pdb=" O SER h 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU h 190 " --> pdb=" O THR h 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL h 191 " --> pdb=" O GLU h 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE i 37 " --> pdb=" O SER i 33 " (cutoff:3.500A) Proline residue: i 38 - end of helix removed outlier: 3.873A pdb=" N GLU i 45 " --> pdb=" O SER i 41 " (cutoff:3.500A) Processing helix chain 'i' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR i 58 " --> pdb=" O THR i 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL i 59 " --> pdb=" O MET i 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY i 61 " --> pdb=" O ASN i 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA i 105 " --> pdb=" O GLY i 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY i 106 " --> pdb=" O SER i 102 " (cutoff:3.500A) Processing helix chain 'i' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS i 120 " --> pdb=" O GLY i 116 " (cutoff:3.500A) Processing helix chain 'i' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE i 129 " --> pdb=" O PRO i 125 " (cutoff:3.500A) Processing helix chain 'i' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE i 153 " --> pdb=" O SER i 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU i 190 " --> pdb=" O THR i 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL i 191 " --> pdb=" O GLU i 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE j 37 " --> pdb=" O SER j 33 " (cutoff:3.500A) Proline residue: j 38 - end of helix removed outlier: 3.873A pdb=" N GLU j 45 " --> pdb=" O SER j 41 " (cutoff:3.500A) Processing helix chain 'j' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR j 58 " --> pdb=" O THR j 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL j 59 " --> pdb=" O MET j 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY j 61 " --> pdb=" O ASN j 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA j 105 " --> pdb=" O GLY j 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY j 106 " --> pdb=" O SER j 102 " (cutoff:3.500A) Processing helix chain 'j' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS j 120 " --> pdb=" O GLY j 116 " (cutoff:3.500A) Processing helix chain 'j' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE j 129 " --> pdb=" O PRO j 125 " (cutoff:3.500A) Processing helix chain 'j' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE j 153 " --> pdb=" O SER j 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU j 190 " --> pdb=" O THR j 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL j 191 " --> pdb=" O GLU j 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE k 37 " --> pdb=" O SER k 33 " (cutoff:3.500A) Proline residue: k 38 - end of helix removed outlier: 3.873A pdb=" N GLU k 45 " --> pdb=" O SER k 41 " (cutoff:3.500A) Processing helix chain 'k' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR k 58 " --> pdb=" O THR k 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL k 59 " --> pdb=" O MET k 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY k 61 " --> pdb=" O ASN k 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA k 105 " --> pdb=" O GLY k 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY k 106 " --> pdb=" O SER k 102 " (cutoff:3.500A) Processing helix chain 'k' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS k 120 " --> pdb=" O GLY k 116 " (cutoff:3.500A) Processing helix chain 'k' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE k 129 " --> pdb=" O PRO k 125 " (cutoff:3.500A) Processing helix chain 'k' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE k 153 " --> pdb=" O SER k 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE l 37 " --> pdb=" O SER l 33 " (cutoff:3.500A) Proline residue: l 38 - end of helix removed outlier: 3.873A pdb=" N GLU l 45 " --> pdb=" O SER l 41 " (cutoff:3.500A) Processing helix chain 'l' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR l 58 " --> pdb=" O THR l 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL l 59 " --> pdb=" O MET l 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY l 61 " --> pdb=" O ASN l 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA l 105 " --> pdb=" O GLY l 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY l 106 " --> pdb=" O SER l 102 " (cutoff:3.500A) Processing helix chain 'l' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS l 120 " --> pdb=" O GLY l 116 " (cutoff:3.500A) Processing helix chain 'l' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE l 129 " --> pdb=" O PRO l 125 " (cutoff:3.500A) Processing helix chain 'l' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE l 153 " --> pdb=" O SER l 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A 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: 3.559A 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: 4.439A pdb=" N ILE m 37 " --> pdb=" O SER m 33 " (cutoff:3.500A) Proline residue: m 38 - end of helix removed outlier: 3.873A pdb=" N GLU m 45 " --> pdb=" O SER m 41 " (cutoff:3.500A) Processing helix chain 'm' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR m 58 " --> pdb=" O THR m 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL m 59 " --> pdb=" O MET m 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY m 61 " --> pdb=" O ASN m 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA m 105 " --> pdb=" O GLY m 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY m 106 " --> pdb=" O SER m 102 " (cutoff:3.500A) Processing helix chain 'm' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS m 120 " --> pdb=" O GLY m 116 " (cutoff:3.500A) Processing helix chain 'm' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE m 129 " --> pdb=" O PRO m 125 " (cutoff:3.500A) Processing helix chain 'm' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE m 153 " --> pdb=" O SER m 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU m 190 " --> pdb=" O THR m 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL m 191 " --> pdb=" O GLU m 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE n 37 " --> pdb=" O SER n 33 " (cutoff:3.500A) Proline residue: n 38 - end of helix removed outlier: 3.873A pdb=" N GLU n 45 " --> pdb=" O SER n 41 " (cutoff:3.500A) Processing helix chain 'n' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR n 58 " --> pdb=" O THR n 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL n 59 " --> pdb=" O MET n 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY n 61 " --> pdb=" O ASN n 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA n 105 " --> pdb=" O GLY n 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY n 106 " --> pdb=" O SER n 102 " (cutoff:3.500A) Processing helix chain 'n' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS n 120 " --> pdb=" O GLY n 116 " (cutoff:3.500A) Processing helix chain 'n' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE n 129 " --> pdb=" O PRO n 125 " (cutoff:3.500A) Processing helix chain 'n' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE n 153 " --> pdb=" O SER n 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU n 190 " --> pdb=" O THR n 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL n 191 " --> pdb=" O GLU n 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE o 37 " --> pdb=" O SER o 33 " (cutoff:3.500A) Proline residue: o 38 - end of helix removed outlier: 3.873A pdb=" N GLU o 45 " --> pdb=" O SER o 41 " (cutoff:3.500A) Processing helix chain 'o' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR o 58 " --> pdb=" O THR o 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL o 59 " --> pdb=" O MET o 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY o 61 " --> pdb=" O ASN o 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA o 105 " --> pdb=" O GLY o 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY o 106 " --> pdb=" O SER o 102 " (cutoff:3.500A) Processing helix chain 'o' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS o 120 " --> pdb=" O GLY o 116 " (cutoff:3.500A) Processing helix chain 'o' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE o 129 " --> pdb=" O PRO o 125 " (cutoff:3.500A) Processing helix chain 'o' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE o 153 " --> pdb=" O SER o 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU o 190 " --> pdb=" O THR o 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL o 191 " --> pdb=" O GLU o 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE p 37 " --> pdb=" O SER p 33 " (cutoff:3.500A) Proline residue: p 38 - end of helix removed outlier: 3.873A pdb=" N GLU p 45 " --> pdb=" O SER p 41 " (cutoff:3.500A) Processing helix chain 'p' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR p 58 " --> pdb=" O THR p 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL p 59 " --> pdb=" O MET p 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY p 61 " --> pdb=" O ASN p 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA p 105 " --> pdb=" O GLY p 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY p 106 " --> pdb=" O SER p 102 " (cutoff:3.500A) Processing helix chain 'p' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS p 120 " --> pdb=" O GLY p 116 " (cutoff:3.500A) Processing helix chain 'p' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE p 129 " --> pdb=" O PRO p 125 " (cutoff:3.500A) Processing helix chain 'p' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE p 153 " --> pdb=" O SER p 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE q 37 " --> pdb=" O SER q 33 " (cutoff:3.500A) Proline residue: q 38 - end of helix removed outlier: 3.873A pdb=" N GLU q 45 " --> pdb=" O SER q 41 " (cutoff:3.500A) Processing helix chain 'q' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR q 58 " --> pdb=" O THR q 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL q 59 " --> pdb=" O MET q 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY q 61 " --> pdb=" O ASN q 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA q 105 " --> pdb=" O GLY q 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY q 106 " --> pdb=" O SER q 102 " (cutoff:3.500A) Processing helix chain 'q' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS q 120 " --> pdb=" O GLY q 116 " (cutoff:3.500A) Processing helix chain 'q' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE q 129 " --> pdb=" O PRO q 125 " (cutoff:3.500A) Processing helix chain 'q' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE q 153 " --> pdb=" O SER q 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A 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: 3.559A 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: 4.439A pdb=" N ILE r 37 " --> pdb=" O SER r 33 " (cutoff:3.500A) Proline residue: r 38 - end of helix removed outlier: 3.873A pdb=" N GLU r 45 " --> pdb=" O SER r 41 " (cutoff:3.500A) Processing helix chain 'r' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR r 58 " --> pdb=" O THR r 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL r 59 " --> pdb=" O MET r 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY r 61 " --> pdb=" O ASN r 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA r 105 " --> pdb=" O GLY r 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY r 106 " --> pdb=" O SER r 102 " (cutoff:3.500A) Processing helix chain 'r' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS r 120 " --> pdb=" O GLY r 116 " (cutoff:3.500A) Processing helix chain 'r' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE r 129 " --> pdb=" O PRO r 125 " (cutoff:3.500A) Processing helix chain 'r' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE r 153 " --> pdb=" O SER r 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU r 190 " --> pdb=" O THR r 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL r 191 " --> pdb=" O GLU r 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE s 37 " --> pdb=" O SER s 33 " (cutoff:3.500A) Proline residue: s 38 - end of helix removed outlier: 3.873A pdb=" N GLU s 45 " --> pdb=" O SER s 41 " (cutoff:3.500A) Processing helix chain 's' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR s 58 " --> pdb=" O THR s 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL s 59 " --> pdb=" O MET s 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY s 61 " --> pdb=" O ASN s 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA s 105 " --> pdb=" O GLY s 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY s 106 " --> pdb=" O SER s 102 " (cutoff:3.500A) Processing helix chain 's' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS s 120 " --> pdb=" O GLY s 116 " (cutoff:3.500A) Processing helix chain 's' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE s 129 " --> pdb=" O PRO s 125 " (cutoff:3.500A) Processing helix chain 's' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE s 153 " --> pdb=" O SER s 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU s 190 " --> pdb=" O THR s 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL s 191 " --> pdb=" O GLU s 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.439A pdb=" N ILE t 37 " --> pdb=" O SER t 33 " (cutoff:3.500A) Proline residue: t 38 - end of helix removed outlier: 3.873A pdb=" N GLU t 45 " --> pdb=" O SER t 41 " (cutoff:3.500A) Processing helix chain 't' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR t 58 " --> pdb=" O THR t 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL t 59 " --> pdb=" O MET t 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY t 61 " --> pdb=" O ASN t 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA t 105 " --> pdb=" O GLY t 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY t 106 " --> pdb=" O SER t 102 " (cutoff:3.500A) Processing helix chain 't' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS t 120 " --> pdb=" O GLY t 116 " (cutoff:3.500A) Processing helix chain 't' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE t 129 " --> pdb=" O PRO t 125 " (cutoff:3.500A) Processing helix chain 't' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE t 153 " --> pdb=" O SER t 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU t 190 " --> pdb=" O THR t 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL t 191 " --> pdb=" O GLU t 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.439A pdb=" N ILE u 37 " --> pdb=" O SER u 33 " (cutoff:3.500A) Proline residue: u 38 - end of helix removed outlier: 3.873A pdb=" N GLU u 45 " --> pdb=" O SER u 41 " (cutoff:3.500A) Processing helix chain 'u' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR u 58 " --> pdb=" O THR u 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL u 59 " --> pdb=" O MET u 55 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLY u 61 " --> pdb=" O ASN u 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA u 105 " --> pdb=" O GLY u 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY u 106 " --> pdb=" O SER u 102 " (cutoff:3.500A) Processing helix chain 'u' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS u 120 " --> pdb=" O GLY u 116 " (cutoff:3.500A) Processing helix chain 'u' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE u 129 " --> pdb=" O PRO u 125 " (cutoff:3.500A) Processing helix chain 'u' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE u 153 " --> pdb=" O SER u 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.582A 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: 3.559A 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: 4.439A pdb=" N ILE v 37 " --> pdb=" O SER v 33 " (cutoff:3.500A) Proline residue: v 38 - end of helix removed outlier: 3.873A pdb=" N GLU v 45 " --> pdb=" O SER v 41 " (cutoff:3.500A) Processing helix chain 'v' and resid 48 through 61 removed outlier: 4.021A pdb=" N THR v 58 " --> pdb=" O THR v 54 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL v 59 " --> pdb=" O MET v 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY v 61 " --> pdb=" O ASN v 57 " (cutoff:3.500A) 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: 3.599A pdb=" N ALA v 105 " --> pdb=" O GLY v 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY v 106 " --> pdb=" O SER v 102 " (cutoff:3.500A) Processing helix chain 'v' and resid 110 through 120 removed outlier: 4.501A pdb=" N HIS v 120 " --> pdb=" O GLY v 116 " (cutoff:3.500A) Processing helix chain 'v' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE v 129 " --> pdb=" O PRO v 125 " (cutoff:3.500A) Processing helix chain 'v' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE v 153 " --> pdb=" O SER v 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A 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: 3.559A 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: 4.439A pdb=" N ILE w 37 " --> pdb=" O SER w 33 " (cutoff:3.500A) Proline residue: w 38 - end of helix removed outlier: 3.873A pdb=" N GLU w 45 " --> pdb=" O SER w 41 " (cutoff:3.500A) Processing helix chain 'w' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR w 58 " --> pdb=" O THR w 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL w 59 " --> pdb=" O MET w 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY w 61 " --> pdb=" O ASN w 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA w 105 " --> pdb=" O GLY w 101 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY w 106 " --> pdb=" O SER w 102 " (cutoff:3.500A) Processing helix chain 'w' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS w 120 " --> pdb=" O GLY w 116 " (cutoff:3.500A) Processing helix chain 'w' and resid 125 through 146 removed outlier: 3.741A pdb=" N ILE w 129 " --> pdb=" O PRO w 125 " (cutoff:3.500A) Processing helix chain 'w' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE w 153 " --> pdb=" O SER w 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU w 190 " --> pdb=" O THR w 186 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N VAL w 191 " --> pdb=" O GLU w 187 " (cutoff:3.500A) removed outlier: 3.559A 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: 4.440A pdb=" N ILE x 37 " --> pdb=" O SER x 33 " (cutoff:3.500A) Proline residue: x 38 - end of helix removed outlier: 3.873A pdb=" N GLU x 45 " --> pdb=" O SER x 41 " (cutoff:3.500A) Processing helix chain 'x' and resid 48 through 61 removed outlier: 4.022A pdb=" N THR x 58 " --> pdb=" O THR x 54 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL x 59 " --> pdb=" O MET x 55 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY x 61 " --> pdb=" O ASN x 57 " (cutoff:3.500A) 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: 3.600A pdb=" N ALA x 105 " --> pdb=" O GLY x 101 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLY x 106 " --> pdb=" O SER x 102 " (cutoff:3.500A) Processing helix chain 'x' and resid 110 through 120 removed outlier: 4.502A pdb=" N HIS x 120 " --> pdb=" O GLY x 116 " (cutoff:3.500A) Processing helix chain 'x' and resid 125 through 146 removed outlier: 3.740A pdb=" N ILE x 129 " --> pdb=" O PRO x 125 " (cutoff:3.500A) Processing helix chain 'x' and resid 149 through 154 removed outlier: 3.606A pdb=" N ILE x 153 " --> pdb=" O SER x 149 " (cutoff:3.500A) removed outlier: 5.776A 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: 4.583A pdb=" N LEU x 190 " --> pdb=" O THR x 186 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N VAL x 191 " --> pdb=" O GLU x 187 " (cutoff:3.500A) removed outlier: 3.558A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A 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: 4.444A 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: 4.444A 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: 4.444A 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: 4.443A 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: 4.443A pdb=" N GLN x 9 " --> pdb=" O ASN x 5 " (cutoff:3.500A) 6300 hydrogen bonds defined for protein. 18900 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: 44.00 Time building geometry restraints manager: 67.19 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: 17292 1.46 - 1.58: 55968 1.58 - 1.69: 720 1.69 - 1.81: 1320 Bond restraints: 109980 Sorted by residual: bond pdb=" O15 IHP S 402 " pdb=" P5 IHP S 402 " ideal model delta sigma weight residual 1.675 1.609 0.066 2.00e-02 2.50e+03 1.09e+01 bond pdb=" O15 IHP c 402 " pdb=" P5 IHP c 402 " ideal model delta sigma weight residual 1.675 1.609 0.066 2.00e-02 2.50e+03 1.09e+01 bond pdb=" O15 IHP I 402 " pdb=" P5 IHP I 402 " ideal model delta sigma weight residual 1.675 1.609 0.066 2.00e-02 2.50e+03 1.09e+01 bond pdb=" O15 IHP w 402 " pdb=" P5 IHP w 402 " ideal model delta sigma weight residual 1.675 1.609 0.066 2.00e-02 2.50e+03 1.09e+01 bond pdb=" O15 IHP N 402 " pdb=" P5 IHP N 402 " ideal model delta sigma weight residual 1.675 1.609 0.066 2.00e-02 2.50e+03 1.09e+01 ... (remaining 109975 not shown) Histogram of bond angle deviations from ideal: 99.79 - 106.64: 6600 106.64 - 113.49: 62112 113.49 - 120.34: 38292 120.34 - 127.20: 42096 127.20 - 134.05: 1800 Bond angle restraints: 150900 Sorted by residual: angle pdb=" O11 IHP l 402 " pdb=" P1 IHP l 402 " pdb=" O31 IHP l 402 " ideal model delta sigma weight residual 102.13 110.10 -7.97 3.00e+00 1.11e-01 7.06e+00 angle pdb=" O11 IHP v 402 " pdb=" P1 IHP v 402 " pdb=" O31 IHP v 402 " ideal model delta sigma weight residual 102.13 110.10 -7.97 3.00e+00 1.11e-01 7.06e+00 angle pdb=" O11 IHP R 402 " pdb=" P1 IHP R 402 " pdb=" O31 IHP R 402 " ideal model delta sigma weight residual 102.13 110.10 -7.97 3.00e+00 1.11e-01 7.06e+00 angle pdb=" O11 IHP C 402 " pdb=" P1 IHP C 402 " pdb=" O31 IHP C 402 " ideal model delta sigma weight residual 102.13 110.10 -7.97 3.00e+00 1.11e-01 7.06e+00 angle pdb=" O11 IHP g 402 " pdb=" P1 IHP g 402 " pdb=" O31 IHP g 402 " ideal model delta sigma weight residual 102.13 110.10 -7.97 3.00e+00 1.11e-01 7.06e+00 ... (remaining 150895 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 11.90: 60744 11.90 - 23.81: 5856 23.81 - 35.71: 1776 35.71 - 47.61: 684 47.61 - 59.51: 660 Dihedral angle restraints: 69720 sinusoidal: 31560 harmonic: 38160 Sorted by residual: dihedral pdb=" N LEU 7 83 " pdb=" CA LEU 7 83 " pdb=" CB LEU 7 83 " pdb=" CG LEU 7 83 " ideal model delta sinusoidal sigma weight residual -180.00 -122.81 -57.19 3 1.50e+01 4.44e-03 9.43e+00 dihedral pdb=" N LEU S 83 " pdb=" CA LEU S 83 " pdb=" CB LEU S 83 " pdb=" CG LEU S 83 " ideal model delta sinusoidal sigma weight residual -180.00 -122.81 -57.19 3 1.50e+01 4.44e-03 9.43e+00 dihedral pdb=" N LEU w 83 " pdb=" CA LEU w 83 " pdb=" CB LEU w 83 " pdb=" CG LEU w 83 " ideal model delta sinusoidal sigma weight residual -180.00 -122.81 -57.19 3 1.50e+01 4.44e-03 9.43e+00 ... (remaining 69717 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.080: 15168 0.080 - 0.160: 1392 0.160 - 0.240: 0 0.240 - 0.320: 0 0.320 - 0.400: 240 Chirality restraints: 16800 Sorted by residual: chirality pdb=" C3 IHP 0 402 " pdb=" C2 IHP 0 402 " pdb=" C4 IHP 0 402 " pdb=" O13 IHP 0 402 " both_signs ideal model delta sigma weight residual False -2.34 -2.74 0.40 2.00e-01 2.50e+01 4.01e+00 chirality pdb=" C3 IHP G 402 " pdb=" C2 IHP G 402 " pdb=" C4 IHP G 402 " pdb=" O13 IHP G 402 " both_signs ideal model delta sigma weight residual False -2.34 -2.74 0.40 2.00e-01 2.50e+01 4.01e+00 chirality pdb=" C3 IHP k 402 " pdb=" C2 IHP k 402 " pdb=" C4 IHP k 402 " pdb=" O13 IHP k 402 " both_signs ideal model delta sigma weight residual False -2.34 -2.74 0.40 2.00e-01 2.50e+01 4.01e+00 ... (remaining 16797 not shown) Planarity restraints: 18780 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C THR a 48 " 0.020 5.00e-02 4.00e+02 2.97e-02 1.41e+00 pdb=" N PRO a 49 " -0.051 5.00e-02 4.00e+02 pdb=" CA PRO a 49 " 0.015 5.00e-02 4.00e+02 pdb=" CD PRO a 49 " 0.017 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR 5 48 " -0.020 5.00e-02 4.00e+02 2.97e-02 1.41e+00 pdb=" N PRO 5 49 " 0.051 5.00e-02 4.00e+02 pdb=" CA PRO 5 49 " -0.015 5.00e-02 4.00e+02 pdb=" CD PRO 5 49 " -0.017 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR V 48 " 0.020 5.00e-02 4.00e+02 2.97e-02 1.41e+00 pdb=" N PRO V 49 " -0.051 5.00e-02 4.00e+02 pdb=" CA PRO V 49 " 0.015 5.00e-02 4.00e+02 pdb=" CD PRO V 49 " 0.017 5.00e-02 4.00e+02 ... (remaining 18777 not shown) Histogram of nonbonded interaction distances: 0.31 - 1.23: 5040 1.23 - 2.15: 14964 2.15 - 3.06: 103800 3.06 - 3.98: 335208 3.98 - 4.90: 573708 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1032720 Sorted by model distance: nonbonded pdb=" O15 IHP R 402 " pdb=" O16 IHP S 402 " model vdw 0.312 3.040 nonbonded pdb=" O15 IHP H 402 " pdb=" O16 IHP I 402 " model vdw 0.312 3.040 nonbonded pdb=" O15 IHP v 402 " pdb=" O16 IHP w 402 " model vdw 0.312 3.040 nonbonded pdb=" O15 IHP l 402 " pdb=" O16 IHP m 402 " model vdw 0.312 3.040 nonbonded pdb=" O15 IHP q 402 " pdb=" O16 IHP r 402 " model vdw 0.312 3.040 ... (remaining 1032715 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: 4.510 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: 0.120 Extract box with map and model: 27.320 Check model and map are aligned: 1.060 Set scattering table: 0.750 Process input model: 266.040 Find NCS groups from input model: 5.510 Set up NCS constraints: 1.430 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.260 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 309.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7846 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 : 0.007 0.066 109980 Z= 0.445 Angle : 0.918 7.973 150900 Z= 0.372 Chirality : 0.061 0.400 16800 Planarity : 0.004 0.030 18780 Dihedral : 12.421 59.514 45000 Min Nonbonded Distance : 0.312 Molprobity Statistics. All-atom Clashscore : 9.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.46 % Favored : 99.54 % Rotamer: Outliers : 1.07 % Allowed : 3.74 % Favored : 95.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.87 (0.07), residues: 13140 helix: 1.61 (0.05), residues: 8700 sheet: 0.90 (0.24), residues: 540 loop : 0.65 (0.09), residues: 3900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP E 80 HIS 0.001 0.000 HIS T 120 PHE 0.005 0.001 PHE Q 40 TYR 0.002 0.000 TYR q 169 ARG 0.002 0.000 ARG p 97 *********************** 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 1872 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 1752 time to evaluate : 8.763 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: 120 outliers final: 60 residues processed: 1872 average time/residue: 0.8491 time to fit residues: 2827.0555 Evaluate side-chains 1428 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 1368 time to evaluate : 7.781 Switching outliers to nearest non-outliers outliers start: 60 outliers final: 0 residues processed: 60 average time/residue: 0.7137 time to fit residues: 94.9682 ------------------------------------------------------------------------------- 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: 8.9990 chunk 1000 optimal weight: 10.0000 chunk 555 optimal weight: 5.9990 chunk 341 optimal weight: 9.9990 chunk 674 optimal weight: 8.9990 chunk 534 optimal weight: 4.9990 chunk 1034 optimal weight: 10.0000 chunk 400 optimal weight: 0.6980 chunk 629 optimal weight: 2.9990 chunk 770 optimal weight: 10.0000 chunk 1198 optimal weight: 10.0000 overall best weight: 4.7388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 7 GLN A 95 GLN B 7 GLN B 95 GLN C 7 GLN C 95 GLN D 7 GLN D 95 GLN E 7 GLN E 95 GLN F 7 GLN F 95 GLN G 7 GLN G 95 GLN H 7 GLN H 95 GLN I 7 GLN I 95 GLN J 7 GLN J 95 GLN K 7 GLN K 95 GLN L 7 GLN L 95 GLN M 7 GLN M 95 GLN N 7 GLN N 95 GLN O 7 GLN O 95 GLN P 7 GLN P 95 GLN Q 7 GLN Q 95 GLN R 7 GLN R 95 GLN S 7 GLN S 95 GLN T 7 GLN T 95 GLN U 7 GLN U 95 GLN V 7 GLN V 95 GLN W 7 GLN W 95 GLN X 7 GLN X 95 GLN Y 7 GLN Y 95 GLN Z 7 GLN Z 95 GLN 0 7 GLN 0 95 GLN 1 7 GLN 1 95 GLN 2 7 GLN 2 95 GLN 3 7 GLN 3 95 GLN 4 7 GLN 4 95 GLN 5 7 GLN 5 95 GLN 6 7 GLN 6 95 GLN 7 7 GLN 7 95 GLN 8 7 GLN 8 95 GLN 9 7 GLN 9 95 GLN a 7 GLN a 95 GLN b 7 GLN b 95 GLN c 7 GLN c 95 GLN d 7 GLN d 95 GLN e 7 GLN e 95 GLN f 7 GLN f 95 GLN g 7 GLN g 95 GLN h 7 GLN h 95 GLN i 7 GLN i 95 GLN j 7 GLN j 95 GLN k 7 GLN k 95 GLN l 7 GLN l 95 GLN m 7 GLN m 95 GLN n 7 GLN n 95 GLN o 7 GLN o 95 GLN p 7 GLN p 95 GLN q 7 GLN q 95 GLN r 7 GLN r 95 GLN s 7 GLN s 95 GLN t 7 GLN t 95 GLN u 7 GLN u 95 GLN v 7 GLN v 95 GLN w 7 GLN w 95 GLN x 7 GLN x 95 GLN Total number of N/Q/H flips: 120 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8007 moved from start: 0.3354 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.066 1.740 109980 Z= 4.289 Angle : 4.298 84.499 150900 Z= 1.462 Chirality : 0.403 4.240 16800 Planarity : 0.006 0.070 18780 Dihedral : 21.215 173.035 19080 Min Nonbonded Distance : 1.203 Molprobity Statistics. All-atom Clashscore : 11.45 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.82 % Favored : 99.18 % Rotamer: Outliers : 1.50 % Allowed : 6.42 % Favored : 92.09 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.06 (0.07), residues: 13140 helix: 0.88 (0.05), residues: 8640 sheet: 0.55 (0.23), residues: 540 loop : 0.64 (0.08), residues: 3960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.002 TRP p 184 HIS 0.004 0.001 HIS 0 87 PHE 0.006 0.002 PHE 3 168 TYR 0.006 0.001 TYR V 145 ARG 0.029 0.001 ARG F 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 1644 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 168 poor density : 1476 time to evaluate : 8.743 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 revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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: 168 outliers final: 120 residues processed: 1632 average time/residue: 0.9618 time to fit residues: 2783.4451 Evaluate side-chains 1488 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 1368 time to evaluate : 8.536 Switching outliers to nearest non-outliers outliers start: 120 outliers final: 0 residues processed: 120 average time/residue: 0.7827 time to fit residues: 193.1402 ------------------------------------------------------------------------------- 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: 2.9990 chunk 372 optimal weight: 0.6980 chunk 997 optimal weight: 3.9990 chunk 816 optimal weight: 0.9980 chunk 330 optimal weight: 9.9990 chunk 1200 optimal weight: 6.9990 chunk 1297 optimal weight: 0.9980 chunk 1069 optimal weight: 0.8980 chunk 1190 optimal weight: 0.8980 chunk 409 optimal weight: 0.8980 chunk 963 optimal weight: 0.9980 overall best weight: 0.8780 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7847 moved from start: 0.4002 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.045 1.042 109980 Z= 2.915 Angle : 3.858 66.653 150900 Z= 1.306 Chirality : 0.309 4.233 16800 Planarity : 0.005 0.047 18780 Dihedral : 24.886 171.279 19080 Min Nonbonded Distance : 1.278 Molprobity Statistics. All-atom Clashscore : 10.04 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.91 % Favored : 99.09 % Rotamer: Outliers : 0.96 % Allowed : 9.20 % Favored : 89.84 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.61 (0.07), residues: 13140 helix: 1.28 (0.06), residues: 8640 sheet: 0.12 (0.21), residues: 540 loop : 1.03 (0.09), residues: 3960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.001 TRP c 184 HIS 0.004 0.001 HIS 1 62 PHE 0.008 0.001 PHE 3 40 TYR 0.004 0.001 TYR I 164 ARG 0.013 0.001 ARG q 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 1560 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 1452 time to evaluate : 8.669 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 outliers start: 108 outliers final: 72 residues processed: 1548 average time/residue: 0.8993 time to fit residues: 2485.2134 Evaluate side-chains 1368 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 72 poor density : 1296 time to evaluate : 7.741 Switching outliers to nearest non-outliers outliers start: 72 outliers final: 0 residues processed: 72 average time/residue: 0.8555 time to fit residues: 124.9210 ------------------------------------------------------------------------------- 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: 3.9990 chunk 902 optimal weight: 4.9990 chunk 623 optimal weight: 9.9990 chunk 132 optimal weight: 2.9990 chunk 573 optimal weight: 0.9990 chunk 806 optimal weight: 4.9990 chunk 1205 optimal weight: 3.9990 chunk 1275 optimal weight: 0.9980 chunk 629 optimal weight: 2.9990 chunk 1142 optimal weight: 0.5980 chunk 343 optimal weight: 6.9990 overall best weight: 1.7186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** J 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7940 moved from start: 0.4365 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.041 1.058 109980 Z= 2.648 Angle : 3.365 62.149 150900 Z= 1.140 Chirality : 0.249 3.049 16800 Planarity : 0.004 0.048 18780 Dihedral : 26.987 178.894 19080 Min Nonbonded Distance : 1.317 Molprobity Statistics. All-atom Clashscore : 10.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.91 % Favored : 99.09 % Rotamer: Outliers : 1.82 % Allowed : 9.73 % Favored : 88.45 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.80 (0.07), residues: 13140 helix: 1.46 (0.05), residues: 8640 sheet: -0.31 (0.20), residues: 540 loop : 1.09 (0.09), residues: 3960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP I 184 HIS 0.002 0.001 HIS 0 87 PHE 0.006 0.001 PHE 3 40 TYR 0.004 0.001 TYR m 164 ARG 0.009 0.001 ARG 2 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 1620 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 204 poor density : 1416 time to evaluate : 8.574 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 revert: symmetry clash revert: symmetry clash outliers start: 204 outliers final: 96 residues processed: 1572 average time/residue: 0.9372 time to fit residues: 2588.2358 Evaluate side-chains 1437 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 96 poor density : 1341 time to evaluate : 8.560 Switching outliers to nearest non-outliers outliers start: 96 outliers final: 0 residues processed: 96 average time/residue: 0.9813 time to fit residues: 172.8008 ------------------------------------------------------------------------------- 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: 5.9990 chunk 724 optimal weight: 0.9980 chunk 18 optimal weight: 4.9990 chunk 950 optimal weight: 0.0060 chunk 526 optimal weight: 4.9990 chunk 1088 optimal weight: 6.9990 chunk 881 optimal weight: 0.5980 chunk 1 optimal weight: 0.6980 chunk 651 optimal weight: 5.9990 chunk 1145 optimal weight: 5.9990 chunk 321 optimal weight: 5.9990 overall best weight: 1.4598 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7938 moved from start: 0.4661 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.039 1.071 109980 Z= 2.494 Angle : 3.069 47.661 150900 Z= 1.043 Chirality : 0.256 4.420 16800 Planarity : 0.004 0.048 18780 Dihedral : 28.091 178.944 19080 Min Nonbonded Distance : 1.283 Molprobity Statistics. All-atom Clashscore : 10.75 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.10 % Favored : 98.90 % Rotamer: Outliers : 1.50 % Allowed : 9.20 % Favored : 89.30 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.84 (0.07), residues: 13140 helix: 1.49 (0.05), residues: 8700 sheet: -0.11 (0.21), residues: 540 loop : 1.06 (0.09), residues: 3900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP I 184 HIS 0.002 0.001 HIS 0 12 PHE 0.006 0.001 PHE s 40 TYR 0.004 0.001 TYR v 169 ARG 0.014 0.001 ARG 9 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 1596 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 168 poor density : 1428 time to evaluate : 8.610 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 outliers start: 168 outliers final: 60 residues processed: 1560 average time/residue: 0.9286 time to fit residues: 2546.9308 Evaluate side-chains 1374 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 1314 time to evaluate : 8.502 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 outliers start: 60 outliers final: 12 residues processed: 60 average time/residue: 0.9865 time to fit residues: 113.0302 ------------------------------------------------------------------------------- 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: 3.9990 chunk 1149 optimal weight: 0.8980 chunk 252 optimal weight: 2.9990 chunk 749 optimal weight: 4.9990 chunk 314 optimal weight: 5.9990 chunk 1277 optimal weight: 0.8980 chunk 1060 optimal weight: 7.9990 chunk 591 optimal weight: 0.9980 chunk 106 optimal weight: 1.9990 chunk 422 optimal weight: 0.9990 chunk 670 optimal weight: 3.9990 overall best weight: 1.1584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 179 GLN I 183 ASN N 179 GLN N 183 ASN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7921 moved from start: 0.4842 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.038 1.105 109980 Z= 2.417 Angle : 2.915 47.966 150900 Z= 0.992 Chirality : 0.258 4.311 16800 Planarity : 0.004 0.042 18780 Dihedral : 27.711 179.944 19080 Min Nonbonded Distance : 1.316 Molprobity Statistics. All-atom Clashscore : 10.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.10 % Favored : 98.90 % Rotamer: Outliers : 1.28 % Allowed : 9.15 % Favored : 89.56 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 2.02 (0.07), residues: 13140 helix: 1.63 (0.05), residues: 8700 sheet: -0.21 (0.21), residues: 540 loop : 1.18 (0.09), residues: 3900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP C 184 HIS 0.002 0.001 HIS p 12 PHE 0.006 0.001 PHE i 40 TYR 0.005 0.001 TYR q 164 ARG 0.007 0.000 ARG o 18 *********************** 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 1592 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 144 poor density : 1448 time to evaluate : 8.720 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: 144 outliers final: 60 residues processed: 1556 average time/residue: 0.9079 time to fit residues: 2488.2112 Evaluate side-chains 1343 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 1283 time to evaluate : 8.601 Switching outliers to nearest non-outliers outliers start: 60 outliers final: 0 residues processed: 60 average time/residue: 0.9679 time to fit residues: 111.2594 ------------------------------------------------------------------------------- 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: 2.9990 chunk 143 optimal weight: 9.9990 chunk 727 optimal weight: 1.9990 chunk 932 optimal weight: 6.9990 chunk 722 optimal weight: 3.9990 chunk 1075 optimal weight: 0.8980 chunk 713 optimal weight: 5.9990 chunk 1272 optimal weight: 1.9990 chunk 796 optimal weight: 7.9990 chunk 775 optimal weight: 6.9990 chunk 587 optimal weight: 4.9990 overall best weight: 2.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 67 GLN G 67 GLN L 67 GLN Q 67 GLN V 67 GLN 0 67 GLN 2 179 GLN 2 183 ASN 5 67 GLN 7 179 GLN 7 183 ASN a 67 GLN c 179 GLN c 183 ASN f 67 GLN h 179 GLN h 183 ASN k 67 GLN m 179 GLN m 183 ASN p 67 GLN r 179 GLN r 183 ASN u 67 GLN w 179 GLN w 183 ASN Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8004 moved from start: 0.5013 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.038 1.090 109980 Z= 2.383 Angle : 2.846 48.924 150900 Z= 0.974 Chirality : 0.271 4.696 16800 Planarity : 0.004 0.055 18780 Dihedral : 27.487 170.866 19080 Min Nonbonded Distance : 1.371 Molprobity Statistics. All-atom Clashscore : 11.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.23 % Favored : 98.77 % Rotamer: Outliers : 0.75 % Allowed : 10.51 % Favored : 88.74 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 1.82 (0.07), residues: 13140 helix: 1.42 (0.05), residues: 8700 sheet: -0.12 (0.21), residues: 540 loop : 1.22 (0.09), residues: 3900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP 2 184 HIS 0.002 0.001 HIS h 87 PHE 0.006 0.001 PHE x 40 TYR 0.003 0.001 TYR Q 169 ARG 0.014 0.001 ARG q 18 *********************** 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 1431 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 84 poor density : 1347 time to evaluate : 8.661 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 outliers start: 84 outliers final: 53 residues processed: 1419 average time/residue: 0.9389 time to fit residues: 2344.8453 Evaluate side-chains 1323 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 53 poor density : 1270 time to evaluate : 8.538 Switching outliers to nearest non-outliers outliers start: 53 outliers final: 0 residues processed: 53 average time/residue: 0.8552 time to fit residues: 94.5184 ------------------------------------------------------------------------------- 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: 0.8980 chunk 508 optimal weight: 0.9990 chunk 759 optimal weight: 10.0000 chunk 383 optimal weight: 0.9980 chunk 249 optimal weight: 10.0000 chunk 246 optimal weight: 0.9980 chunk 808 optimal weight: 0.6980 chunk 866 optimal weight: 5.9990 chunk 629 optimal weight: 4.9990 chunk 118 optimal weight: 0.6980 chunk 1000 optimal weight: 0.0030 overall best weight: 0.6590 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 67 GLN E 67 GLN G 67 GLN J 67 GLN L 67 GLN O 67 GLN Q 67 GLN T 67 GLN V 67 GLN Y 67 GLN 0 67 GLN 3 67 GLN 5 67 GLN 8 67 GLN a 67 GLN d 67 GLN f 67 GLN i 67 GLN k 67 GLN n 67 GLN p 67 GLN s 67 GLN u 67 GLN x 67 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7886 moved from start: 0.5092 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.037 1.070 109980 Z= 2.361 Angle : 2.772 48.650 150900 Z= 0.944 Chirality : 0.269 4.783 16800 Planarity : 0.004 0.048 18780 Dihedral : 27.037 175.017 19080 Min Nonbonded Distance : 1.370 Molprobity Statistics. All-atom Clashscore : 10.81 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.07 % Favored : 98.93 % Rotamer: Outliers : 0.04 % Allowed : 10.78 % Favored : 89.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 2.17 (0.07), residues: 13140 helix: 1.66 (0.06), residues: 8760 sheet: 0.12 (0.22), residues: 540 loop : 1.42 (0.09), residues: 3840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP g 184 HIS 0.002 0.000 HIS L 62 PHE 0.008 0.001 PHE s 40 TYR 0.004 0.001 TYR c 164 ARG 0.004 0.000 ARG 9 18 *********************** 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 1384 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 1379 time to evaluate : 8.572 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: 5 outliers final: 0 residues processed: 1384 average time/residue: 0.9196 time to fit residues: 2241.3001 Evaluate side-chains 1321 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1321 time to evaluate : 8.504 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 11.9212 ------------------------------------------------------------------------------- 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: 3.9990 chunk 1218 optimal weight: 0.0570 chunk 1112 optimal weight: 9.9990 chunk 1185 optimal weight: 0.6980 chunk 713 optimal weight: 0.3980 chunk 516 optimal weight: 4.9990 chunk 930 optimal weight: 4.9990 chunk 363 optimal weight: 0.9980 chunk 1071 optimal weight: 2.9990 chunk 1121 optimal weight: 0.6980 chunk 1181 optimal weight: 3.9990 overall best weight: 0.5698 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN B 67 GLN G 67 GLN L 67 GLN Q 67 GLN U 21 ASN V 67 GLN 0 67 GLN 4 21 ASN 5 67 GLN 9 21 ASN a 67 GLN e 21 ASN f 67 GLN k 67 GLN p 67 GLN u 67 GLN Total number of N/Q/H flips: 17 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7864 moved from start: 0.5190 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.037 1.061 109980 Z= 2.356 Angle : 2.748 48.578 150900 Z= 0.937 Chirality : 0.268 4.801 16800 Planarity : 0.004 0.065 18780 Dihedral : 26.725 173.527 19080 Min Nonbonded Distance : 1.370 Molprobity Statistics. All-atom Clashscore : 10.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.07 % Favored : 98.93 % Rotamer: Outliers : 0.26 % Allowed : 11.32 % Favored : 88.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 2.32 (0.07), residues: 13140 helix: 1.77 (0.06), residues: 8760 sheet: 0.02 (0.22), residues: 540 loop : 1.51 (0.09), residues: 3840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 9 23 HIS 0.002 0.000 HIS Q 62 PHE 0.006 0.001 PHE q 40 TYR 0.010 0.001 TYR p 164 ARG 0.005 0.000 ARG f 18 *********************** 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 1346 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 29 poor density : 1317 time to evaluate : 8.689 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 outliers start: 29 outliers final: 17 residues processed: 1346 average time/residue: 0.9474 time to fit residues: 2250.0836 Evaluate side-chains 1255 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 17 poor density : 1238 time to evaluate : 8.459 Switching outliers to nearest non-outliers outliers start: 17 outliers final: 0 residues processed: 17 average time/residue: 1.1395 time to fit residues: 44.1171 ------------------------------------------------------------------------------- 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: 10.0000 chunk 1253 optimal weight: 1.9990 chunk 765 optimal weight: 4.9990 chunk 594 optimal weight: 0.9990 chunk 871 optimal weight: 0.7980 chunk 1315 optimal weight: 0.9990 chunk 1210 optimal weight: 10.0000 chunk 1047 optimal weight: 4.9990 chunk 108 optimal weight: 0.9990 chunk 808 optimal weight: 0.7980 chunk 642 optimal weight: 0.6980 overall best weight: 0.8584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN B 67 GLN E 84 HIS G 67 GLN J 84 HIS L 67 GLN O 84 HIS Q 67 GLN T 84 HIS U 21 ASN V 67 GLN Y 84 HIS 0 67 GLN 3 84 HIS 4 21 ASN 5 67 GLN 8 84 HIS 9 21 ASN a 67 GLN d 84 HIS e 21 ASN f 67 GLN i 84 HIS k 67 GLN n 84 HIS p 67 GLN s 84 HIS t 21 ASN u 67 GLN x 84 HIS Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7890 moved from start: 0.5219 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.037 1.061 109980 Z= 2.355 Angle : 2.713 50.329 150900 Z= 0.928 Chirality : 0.263 4.815 16800 Planarity : 0.004 0.079 18780 Dihedral : 26.367 174.434 19080 Min Nonbonded Distance : 1.368 Molprobity Statistics. All-atom Clashscore : 10.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.16 % Favored : 98.84 % Rotamer: Outliers : 0.01 % Allowed : 11.23 % Favored : 88.76 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 2.36 (0.07), residues: 13140 helix: 1.79 (0.06), residues: 8760 sheet: 0.14 (0.22), residues: 540 loop : 1.52 (0.09), residues: 3840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP o 23 HIS 0.002 0.000 HIS P 62 PHE 0.007 0.001 PHE s 40 TYR 0.006 0.001 TYR p 169 ARG 0.015 0.000 ARG Q 18 ********************** 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 1267 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1266 time to evaluate : 11.035 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 outliers start: 1 outliers final: 1 residues processed: 1267 average time/residue: 0.9200 time to fit residues: 2060.9309 Evaluate side-chains 1208 residues out of total 11220 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1207 time to evaluate : 8.596 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 1.8762 time to fit residues: 14.5383 ------------------------------------------------------------------------------- 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: 0.9990 chunk 1115 optimal weight: 0.9990 chunk 320 optimal weight: 9.9990 chunk 965 optimal weight: 0.6980 chunk 154 optimal weight: 0.0000 chunk 291 optimal weight: 0.0570 chunk 1048 optimal weight: 2.9990 chunk 438 optimal weight: 0.2980 chunk 1077 optimal weight: 4.9990 chunk 132 optimal weight: 0.3980 chunk 193 optimal weight: 5.9990 overall best weight: 0.2902 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 67 GLN ** C 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 67 GLN ** H 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 67 GLN ** M 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 67 GLN ** R 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 67 GLN ** W 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 67 GLN 5 67 GLN ** 6 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 67 GLN ** b 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 67 GLN ** g 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 67 GLN ** l 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 67 GLN ** q 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 21 ASN u 67 GLN ** v 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4305 r_free = 0.4305 target = 0.206847 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 54)----------------| | r_work = 0.3779 r_free = 0.3779 target = 0.155272 restraints weight = 118313.748| |-----------------------------------------------------------------------------| r_work (start): 0.3777 rms_B_bonded: 2.29 r_work: 0.3617 rms_B_bonded: 3.10 restraints_weight: 0.5000 r_work (final): 0.3617 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3624 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3624 r_free = 0.3624 target_work(ls_wunit_k1) = 0.142 | | occupancies: max = 1.00 min = 0.01 number of occupancies < 0.1: 4320 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3618 r_free = 0.3618 target_work(ls_wunit_k1) = 0.141 | | occupancies: max = 1.00 min = 0.05 number of occupancies < 0.1: 360 | |-----------------------------------------------------------------------------| r_final: 0.3618 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7653 moved from start: 0.5391 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.037 1.060 109980 Z= 2.344 Angle : 2.677 49.979 150900 Z= 0.915 Chirality : 0.258 4.814 16800 Planarity : 0.004 0.065 18780 Dihedral : 26.214 171.498 19080 Min Nonbonded Distance : 1.368 Molprobity Statistics. All-atom Clashscore : 11.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.02 % Favored : 98.98 % Rotamer: Outliers : 0.12 % Allowed : 11.41 % Favored : 88.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.25 % 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: 2.41 (0.07), residues: 13140 helix: 1.82 (0.06), residues: 8760 sheet: 0.37 (0.23), residues: 540 loop : 1.53 (0.09), residues: 3840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP u 23 HIS 0.003 0.000 HIS Z 62 PHE 0.009 0.001 PHE b 40 TYR 0.008 0.001 TYR k 164 ARG 0.016 0.000 ARG u 18 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 34984.44 seconds wall clock time: 606 minutes 17.12 seconds (36377.12 seconds total)