.. # CIF Copied by cif2cif, version 1.0.1 (07 Apr 2005)
..
.. ###################################################
.. #                                                 #
.. #   Converted from PDB format to CIF format by    #
.. #   pdb2cif version 2.3.3           27 Jan 97     #
.. #                       by                        #
.. # P.E. Bourne, H.J. Bernstein and F.C. Bernstein  #
.. #                                                 #
.. #   *** See the remarks at the end of this  ***   #
.. #   *** file for information on conversion  ***   #
.. #   *** of this entry and on the program    ***   #
.. #   ***               pdb2cif               ***   #
.. ###################################################
..
..
.. data_4INS
..
.. _entry.id               4INS
..
..
..
.. ##################
.. #                #
.. #  STRUCT        #
.. #                #
.. ##################
..
..         loop_
..     _struct.entry_id
..     _struct.title
..         4INS
.. ; Compound::
..        Insulin
..   Source::
..        Pig (Sus scrofa)
.. ;
..
..
..
.. ####################
.. #                  #
.. # AUDIT_AUTHOR     #
.. #                  #
.. ####################
..
..
..         loop_
..     _audit_author.name
..         'Dodson, G.G.'
..         'Dodson, E.J.'
..         'Hodgkin, D.C.'
..         'Isaacs, N.W.'
..         'Vijayan, M.'
..
..         loop_
..     _citation.id
..     _citation.coordinate_linkage
..     _citation.title
..     _citation.country
..     _citation.journal_abbrev
..     _citation.journal_volume
..     _citation.journal_issue
..     _citation.page_first
..     _citation.year
..     _citation.journal_id_ASTM
..     _citation.journal_id_ISSN
..     _citation.journal_id_CSD
..     _citation.book_title
..     _citation.book_publisher
..     _citation.book_id_ISBN
..     _citation.details
..
.. 1       no
.. ; The Structure Of 2zn Pig Insulin Crystals At 1.5
..   Angstroms Resolution
.. ;
..                         UK
.. ;     PHILOS.TRANS.R.SOC.LONDON,
..       SER.B
.. ;
..                                         319     ?       369     1988
..   'PTRBAE'
..           '0080-4622'
..                   441     ?       ?       ?       ?
..
.. 2       no
.. ; A Comparative Assessment Of The Zinc-protein
..   Coordination In 2Zn-insulin As Determined By X-ray
..   Absorption Fine Structure (EXAFS) And X-ray
..   Crystallography
.. ;
..                         UK      'PROC.R.SOC.LONDON,SER.B'
..                                         219     ?       21      1983
..   'PRLBA4'
..           '0080-4649'
..                   338     ?       ?       ?       ?
..
.. 3       no
.. ; Structural Relationships In The Two-zinc Insulin
..   Hexamer
.. ;
..                         CN      'CAN.J.BIOCHEM.'
..                                         57      ?       469     1979
..   'CJBIAE'
..           '0008-4018'
..                   415     ?       ?       ?       ?
..
.. 4       no
.. ; Experience With Fast Fourier Least Squares In The
..   Refinement Of The Crystal Structure Of Rhombohedral
..   2-Zinc Insulin At 1.5 Angstroms Resolution
.. ;
..                         DK      'ACTA CRYSTALLOGR.,SECT.A'
..                                         34      ?       782     1978
..   'ACACBN'
..           '0567-7394'
..                   108     ?       ?       ?       ?
..
.. 5       no
.. ; Rhombohedral Insulin Crystal Transformation
.. ;
..                         UK      'J.MOL.BIOL.'
..                                         126     ?       871     1978
..   'JMOBAK'
..           '0022-2836'
..                   070     ?       ?       ?       ?
..
.. 6       no
.. ; A Method For Fitting Satisfactory Models To Sets Of
..   Atomic Positions In Protein Structure Refinements
.. ;
..                         DK      'ACTA CRYSTALLOGR.,SECT.A'
..                                         32      ?       311     1976
..   'ACACBN'
..           '0567-7394'
..                   108     ?       ?       ?       ?
..
.. 7       no
.. ; Varieties Of Insulin
.. ;
..                         UK      'J.ENDOCRINOL.'
..                                         63      ?       1       1974
..   'JOENAK'
..           '0022-0795'
..                   907     ?       ?       ?       ?
..
.. 8       no
.. ; The Structure Of Insulin
.. ;
..                         DK      'DAN.TIDSSKR.FARM.'
..                                         46      ?       1       1972
..   'DTFAAN'
..           '0011-6513'
..                   168     ?       ?       ?       ?
..
.. 9       no
.. ; Insulin. The Structure In The Crystal And Its
..   Reflection In Chemistry And Biology
.. ;
..                         US      'ADV.PROTEIN CHEM.'
..                                         26      ?       279     1972
..   'APCHA2'
..           '0065-3233'
..                   433     ?       ?       ?       ?
..
.. 10      no
.. ; The Crystal Structure Of Rhombohedral 2 Zinc
..   Insulin
.. ;
..                         US
.. ;     COLD SPRING HARBOR SYMP.
..       QUANT.BIOL.
.. ;
..                                         36      ?       233     1972
..   'CSHSAZ'
..           '0091-7451'
..                   421     ?       ?       ?       ?
..
.. 11      no
.. ; Atomic Positions In Rhombohedral 2-Zinc Insulin
..   Crystals
.. ;
..                         UK      'NATURE'
..                                         231     ?       506     1971
..   'NATUAS'
..           '0028-0836'
..                   006     ?       ?       ?       ?
..
.. 12      no
.. ; X-Ray Analysis And The Structure Of Insulin
.. ;
..                         US      'RECENT PROG.HORM.RES.'
..                                         27      ?       1       1971
..   'RPHRA6'
..           '0079-9963'
..                   908     ?       ?       ?       ?
..
.. 13      no
.. ; X-ray Diffraction Data On Some Crystalline
..   Varieties Of Insulin
.. ;
..                         UK      'J.MOL.BIOL.'
..                                         54      ?       605     1970
..   'JMOBAK'
..           '0022-2836'
..                   070     ?       ?       ?       ?
..
.. 14      no
.. ; Structure Of Rhombohedral 2 Zinc Insulin Crystals
.. ;
..                         UK      'NATURE'
..                                         224     ?       491     1969
..   'NATUAS'
..           '0028-0836'
..                   006     ?       ?       ?       ?
..
.. 15      no
..                 ?       ?       ?       5       ?       187     1972
..   ?       ?       435
.. ; ATLAS OF PROTEIN SEQUENCE
..   AND STRUCTURE (DATA SECTION)
.. ;
.. ;  NATIONAL BIOMEDICAL RESEARCH FOUNDATION,
..    SILVER SPRING,MD.
.. ;
..                                           '0-912466-02-2'
..                                                   ?
..
..         loop_
..     _citation_editor.citation_id
..     _citation_editor.name
..         15                      'Dayhoff, M.O.'
..
..         loop_
..     _citation_author.citation_id
..     _citation_author.name
..         1                       'Baker, E.N.'
..         1                       'Blundell, T.L.'
..         1                       'Cutfield, J.F.'
..         1                       'Cutfield, S.M.'
..         1                       'Dodson, E.J.'
..         1                       'Dodson, G.G.'
..         1                       'Crowfoot Hodgkin, D.M.'
..         1                       'Hubbard, R.E.'
..         1                       'Isaacs, N.W.'
..         1                       'Reynolds, C.D.'
..         1                       'Sakabe, K.'
..         1                       'Sakabe, N.'
..         1                       'Vijayan, N.M.'
..         2                       'Bordas, J.'
..         2                       'Dodson, G.G.'
..         2                       'Grewe, H.'
..         2                       'Koch, M.H.J.'
..         2                       'Krebs, B.'
..         2                       'Randall, J.'
..         3                       'Dodson, E.J.'
..         3                       'Dodson, G.G.'
..         3                       'Hodgkin, D.C.'
..         3                       'Reynolds, C.D.'
..         4                       'Isaacs, N.W.'
..         4                       'Agarwal, R.C.'
..         5                       'Bentley, G.'
..         5                       'Dodson, G.'
..         5                       'Lewitova, A.'
..         6                       'Dodson, E.J.'
..         6                       'Isaacs, N.W.'
..         6                       'Rollett, J.S.'
..         7                       'Hodgkin, D.C.'
..         8                       'Hodgkin, D.C.'
..         9                       'Blundell, T.'
..         9                       'Dodson, G.'
..         9                       'Hodgkin, D.'
..         9                       'Mercola, D.'
..         10                      'Blundell, T.L.'
..         10                      'Cutfield, J.F.'
..         10                      'Dodson, E.J.'
..         10                      'Dodson, G.G.'
..         10                      'Hodgkin, D.C.'
..         10                      'Mercola, D.A.'
..         11                      'Blundell, T.L.'
..         11                      'Cutfield, J.F.'
..         11                      'Cutfield, S.M.'
..         11                      'Dodson, E.J.'
..         11                      'Dodson, G.G.'
..         11                      'Hodgkin, D.C.'
..         11                      'Mercola, D.A.'
..         11                      'Vijayan, M.'
..         12                      'Blundell, T.L.'
..         12                      'Dodson, G.G.'
..         12                      'Dodson, E.'
..         12                      'Hodgkin, D.C.'
..         12                      'Vijayan, M.'
..         13                      'Baker, E.N.'
..         13                      'Dodson, G.'
..         14                      'Adams, M.J.'
..         14                      'Blundell, T.L.'
..         14                      'Dodson, E.J.'
..         14                      'Dodson, G.G.'
..         14                      'Vijayan, M.'
..         14                      'Baker, E.N.'
..         14                      'Harding, M.M.'
..         14                      'Hodgkin, D.C.'
..         14                      'Rimmer, B.'
..         14                      'Sheat, S.'
..
.. _reflns.entry_id        4INS
.. _reflns.d_resolution_high       1.5
..
..         loop_
..     _database_PDB_remark.id
..     _database_PDB_remark.text
..         3
.. ;
..  REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF J.
..   KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*).  THE R
..   VALUE IS 0.153.  THE RMS DEVIATION FROM IDEALITY OF THE
..   BOND LENGTHS IS 0.005 ANGSTROMS.  THE RMS DEVIATION FROM
..   IDEALITY OF THE BOND ANGLES IS 5.9 DEGREES.
.. ;
..
..         4
.. ;
..  SOLVENT MOLECULES ARE INCLUDED IN THE REFINEMENT
..  CALCULATIONS.  A COMPLETE SET OF SOLVENT COORDINATES IS
..  INCLUDED IN THIS ENTRY.
.. ;
..
..         5
.. ;
..  THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT OF INSULIN CONSISTS OF
..  TWO INSULIN MOLECULES EACH CONSISTING OF TWO CHAINS.  THIS
..  ENTRY PRESENTS COORDINATES FOR MOLECULES I (CHAIN
..  INDICATORS *A* AND *B*) AND II (CHAIN INDICATORS *C* AND
..  *D*).  THE QUASI-TWO-FOLD AXIS THAT TRANSFORMS MOLECULE I
..  INTO MOLECULE II IS GIVEN IN THE *MTRIX* RECORDS BELOW.
..  APPLYING THE THREE-FOLD CRYSTALLOGRAPHIC AXIS YIELDS A
..  HEXAMER AROUND THE AXIS.  THERE ARE TWO ZINC IONS SITUATED
..  ON THIS THREE-FOLD AXIS.  COORDINATES FOR THE ZINC IONS AND
..  SOME WATER MOLECULES ARE INCLUDED BELOW WITH A BLANK CHAIN
..  INDICATOR.
.. ;
..
..         6
.. ;
..  SITES *D1* AND *D2* ARE THE DIMER-FORMING RESIDUES IN
..  MOLECULES I AND II RESPECTIVELY.  SITES *H1* AND *H2* ARE
..  THE HEXAMER-FORMING RESIDUES IN MOLECULES I AND II
..  RESPECTIVELY.  SITES *SI1* AND *SI2* ARE THE
..  SURFACE-INVARIANT RESIDUES IN MOLECULES I AND II,
..  RESPECTIVELY, THAT ARE NOT INVOLVED IN DIMERIZATION.
..  RESIDUE GLU A 4 IS INVARIANT AS A CARBOXYLIC ACID.
..  RESIDUES HIS B 5 AND ARG B22 ARE INVARIANT IN INSULINS OF
..  HIGH POTENCY ONLY.
.. ;
..
..         7
.. ;
..  THERE ARE TWO COORDINATION SITES IN THE HEXAMER.  SITE
..  *ZN1* COMPRISES RESIDUE HIS B 10 AND WATER HOH 4201 AND
..  THEIR TWO CRYSTALLOGRAPHICALLY-RELATED EQUIVALENTS.  SITE
..  *ZN2* COMPRISES RESIDUE HIS D 10 AND WATER HOH 4513 AND
..  THEIR TWO CRYSTALLOGRAPHICALLY-RELATED EQUIVALENTS.  SITE
..  *ZN1* IS OCTAHEDRALLY COORDINATED AROUND ZN1 AND SITE *ZN2*
..  IS OCTAHEDRALLY COORDINATED AROUND ZN2.  THE TWO SITES ARE
..  VERY SIMILAR.
..  BECAUSE THE COORDINATES OF THE SYMMETRY-RELATED ATOMS ARE
..  NOT INCLUDED IN THIS ENTRY THE COMPLETE CONNECTIVITY OF
..  ATOMS ZN1 AND ZN2 CANNOT BE SPECIFIED.  PARTIAL
..  CONNECTIVITY IS GIVEN BY
..           CONECT  247  245  246  832
..           CONECT  661  659  660  833
..           CONECT  832  247  851  ...  ...  ...  ...
..           CONECT  833  661  895  ...  ...  ...  ...
..           CONECT  851  832
..           CONECT  895  833
..             .
..             .
..             .
.. ;
..
..         8
.. ;
..  SOME RESIDUES ARE APPARENTLY DISORDERED BUT DIFFICULT TO
..  DESCRIBE IN TERMS OF ATOMIC POSITIONS.  ALA B 30 IS ONE OF
..  THESE RESIDUES.
.. ;
..
..         9
.. ;
..  CORRECTION. CORRECT DEPOSITION DATE ON HEADER RECORD.
..   15-JUL-93.
.. ;
..
..         10
.. ;
..  CORRECTION. MOVE RESIDUE NUMBERS FOR HOH ATOMS TO THE
..   CORRECT COLUMNS.  31-JUL-94.
.. ;
..
..
.. _cell.entry_id          4INS
.. _cell.length_a          82.5
.. _cell.length_b          82.5
.. _cell.length_c          34.
.. _cell.angle_alpha       90.
.. _cell.angle_beta        90.
.. _cell.angle_gamma       120.
.. _cell.volume            258726.
.. _cell.details           ?
.. _cell.Z_PDB             18
..
.. _symmetry.entry_id      4INS
.. _symmetry.space_group_name_H-M  'R 3'
..
..
..
..
.. ####################
.. #                  #
.. # AUDIT            #
.. #                  #
.. ####################
..
..
.. _audit.revision_id      4INSB
.. _audit.creation_date    1989-07-10
.. _audit.update_record
.. ; 1993-07-15  PDB revision 4INSA
..   1994-07-31  PDB revision 4INSB
..   1997-01-27  Converted to mmCIF format by pdb2cif.pl 2.3.3
.. ;
.. ##########################
.. #                        #
.. # ENTITY_POLY_SEQ        #
.. #                        #
.. ##########################
..
..         loop_
..     _entity_poly_seq.entity_id
..     _entity_poly_seq.num
..     _entity_poly_seq.mon_id
..         1               1               GLY
..         1               2               ILE
..         1               3               VAL
..         1               4               GLU
..         1               5               GLN
..         1               6               CYS
..         1               7               CYS
..         1               8               THR
..         1               9               SER
..         1               10              ILE
..         1               11              CYS
..         1               12              SER
..         1               13              LEU
..         1               14              TYR
..         1               15              GLN
..         1               16              LEU
..         1               17              GLU
..         1               18              ASN
..         1               19              TYR
..         1               20              CYS
..         1               21              ASN
..         2               22              PHE
..         2               23              VAL
..         2               24              ASN
..         2               25              GLN
..         2               26              HIS
..         2               27              LEU
..         2               28              CYS
..         2               29              GLY
..         2               30              SER
..         2               31              HIS
..         2               32              LEU
..         2               33              VAL
..         2               34              GLU
..         2               35              ALA
..         2               36              LEU
..         2               37              TYR
..         2               38              LEU
..         2               39              VAL
..         2               40              CYS
..         2               41              GLY
..         2               42              GLU
..         2               43              ARG
..         2               44              GLY
..         2               45              PHE
..         2               46              PHE
..         2               47              TYR
..         2               48              THR
..         2               49              PRO
..         2               50              LYS
..         2               51              ALA
..
..         loop_
..     _entity.id
..     _entity.type
..     _entity.details
..         1               polymer
.. ; Protein chain: A, C
.. ;
..         2               polymer
.. ; Protein chain: B, D
.. ;
..         5               non-polymer     'het group  ZN'
..         6               water           'HOH'
..
..         loop_
..     _struct_asym.entity_id
..     _struct_asym.id
..         1                       A
..         2                       B
..         1                       C
..         2                       D
..         5                       ZN
..         6                       HOH
..
..
..
.. ####################
.. #                  #
.. # CHEM_COMP        #
.. #                  #
.. ####################
..
..
..         loop_
..     _chem_comp.id
..     _chem_comp.mon_nstd_flag
..     _chem_comp.formula
..     _chem_comp.name
.. ZN              no
.. ; 2(ZN1 ++)
.. ;
.. ; ZINC ION ON 3-FOLD CRYSTAL AXIS
.. ;
.. HOH             no
.. ; 350(H2 O1)
.. ;
.. ;
.. ;
.. ALA             yes             'C3 H7 N1 O2'   'Alanine'
.. ARG             yes             'C6 H14 N4 O2'  'Arginine'
.. ASN             yes             'C4 H8 N2 O3'   'Asparagine'
.. CYS             yes             'C3 H7 N1 O2 S1'
..                                                 'Cysteine'
.. GLN             yes             'C5 H10 N2 O3'  'Glutamine'
.. GLU             yes             'C5 H9 N1 O4'   'Glutamic acid'
.. GLY             yes             'C2 H5 N1 O2'   'Glycine'
.. HIS             yes             'C6 H9 N3 O2'   'Histidine'
.. ILE             yes             'C6 H13 N1 O2'  'Isoleucine'
.. LEU             yes             'C6 H13 N1 O2'  'Leucine'
.. LYS             yes             'C6 H14 N2 O2'  'Lysine'
.. PHE             yes             'C9 H11 N1 O2'  'Phenylalanine'
.. PRO             yes             'C5 H9 N1 O2'   'Proline'
.. SER             yes             'C3 H7 N1 O3'   'Serine'
.. THR             yes             'C4 H9 N1 O3'   'Threonine'
.. TYR             yes             'C9 H11 N1 O3'  'Tyrosine'
.. VAL             yes             'C5 H11 N1 O2'  'Valine'
..
..
..
.. ######################
.. #                    #
.. # ATOM_SITES         #
.. #                    #
.. ######################
..
..
..
..
..
..
..         loop_
..     _database_pdb_matrix.entry_id
..     _database_pdb_matrix.origx[1][1]
..     _database_pdb_matrix.origx[1][2]
..     _database_pdb_matrix.origx[1][3]
..     _database_pdb_matrix.origx_vector[1]
..     _database_pdb_matrix.origx[2][1]
..     _database_pdb_matrix.origx[2][2]
..     _database_pdb_matrix.origx[2][3]
..     _database_pdb_matrix.origx_vector[2]
..     _database_pdb_matrix.origx[3][1]
..     _database_pdb_matrix.origx[3][2]
..     _database_pdb_matrix.origx[3][3]
..     _database_pdb_matrix.origx_vector[3]
.. 4INS
..
..         1.      0.      0.      0.
..                                         0.      1.      0.      0.
..   0.      0.      1.      0.
..
..         loop_
..     _atom_sites.entry_id
..     _atom_sites.cartn_transform_axes
..     _atom_sites.fract_transf_matrix[1][1]
..     _atom_sites.fract_transf_matrix[1][2]
..     _atom_sites.fract_transf_matrix[1][3]
..     _atom_sites.fract_transf_vector[1]
..     _atom_sites.fract_transf_matrix[2][1]
..     _atom_sites.fract_transf_matrix[2][2]
..     _atom_sites.fract_transf_matrix[2][3]
..     _atom_sites.fract_transf_vector[2]
..     _atom_sites.fract_transf_matrix[3][1]
..     _atom_sites.fract_transf_matrix[3][2]
..     _atom_sites.fract_transf_matrix[3][3]
..     _atom_sites.fract_transf_vector[3]
.. 4INS
..         'See _atom_sites.fract_transf_matrix[i][j]'
..
..                 0.012121
..                         0.006998
..                                 0.      0.
..                                                 0.      0.013996
..                                                                 0.
..   0.
..           0.      0.      0.029412
..                                   0.
..
..
..
.. ##############################
.. #                            #
.. # STRUCT_NCS_OPER            #
.. #                            #
.. ##############################
..
.. ##### WARNING ################
.. #  DOMAIN INFORMATION NEEDED #
.. ##############################
..
..
..         loop_
..     _struct_ncs_oper.id
..     _struct_ncs_oper.code
..     _struct_ncs_oper.matrix[1][1]
..     _struct_ncs_oper.matrix[1][2]
..     _struct_ncs_oper.matrix[1][3]
..     _struct_ncs_oper.vector[1]
..     _struct_ncs_oper.matrix[2][1]
..     _struct_ncs_oper.matrix[2][2]
..     _struct_ncs_oper.matrix[2][3]
..     _struct_ncs_oper.vector[2]
..     _struct_ncs_oper.matrix[3][1]
..     _struct_ncs_oper.matrix[3][2]
..     _struct_ncs_oper.matrix[3][3]
..     _struct_ncs_oper.vector[3]
.. 1       given
..                 -0.87862
..                         -0.47696
..                                 0.02305 0.
..                                                 -0.47743
..                                                         0.87837 -0.02286
..   0.
..           -0.00935
..                   -0.03109
..                           -0.99947
..                                   0.
..
..
..
.. ####################
.. #                  #
.. # ATOM_SITES_ALT   #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _atom_sites_alt.id
..     _atom_sites_alt.details
..         A                       ?
..         B                       ?
..
..
..
.. ######################
.. #                    #
.. # ATOM_SITES_FOOTNOTE#
.. #                    #
.. ######################
..
..
..
..         loop_
..     _atom_sites_footnote.id
..     _atom_sites_footnote.text
..         1
.. ;
..   THE QUASI-TWO-FOLD SYMMETRY BREAKS DOWN MOST SERIOUSLY AT
..   RESIDUES
..      GLY A  1 TO GLN A  5   AND   GLY C  1 TO GLN C  5
..      HIS B  5               AND   HIS D  5
..      PHE B 25               AND   PHE D 25
.. ;
..         2
.. ;
..   THE FOLLOWING RESIDUES ARE DISORDERED - GLN B 4, VAL B 12,
..   GLU B 21, ARG B 22, ARG D 22, LYS D 29.
.. ;
..         3
.. ;
..   SEE REMARK 8.
.. ;
..
..
..
.. ####################
.. #                  #
.. # ATOM_SITE        #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _atom_site.label_seq_id
..     _atom_site.group_PDB
..     _atom_site.type_symbol
..     _atom_site.label_atom_id
..     _atom_site.label_comp_id
..     _atom_site.label_asym_id
..     _atom_site.auth_seq_id
..     _atom_site.label_alt_id
..     _atom_site.cartn_x
..     _atom_site.cartn_y
..     _atom_site.cartn_z
..     _atom_site.occupancy
..     _atom_site.B_iso_or_equiv
..     _atom_site.footnote_id
..     _atom_site.label_entity_id
..     _atom_site.id
.. 1
..         ATOM    N       N       GLY     A       1       .       -8.863
..   16.944  14.289  1.      21.88   1       1       1
.. 1
..         ATOM    C       CA      GLY     A       1       .       -9.929
..   17.026  13.244  1.      22.85   1       1       2
.. 1
..         ATOM    C       C       GLY     A       1       .       -10.051
..   15.625  12.618  1.      43.92   1       1       3
.. 1
..         ATOM    O       O       GLY     A       1       .       -9.782
..   14.728  13.407  1.      25.22   1       1       4
.. 2
..         ATOM    N       N       ILE     A       2       .       -10.333
..   15.531  11.332  1.      26.28   1       1       5
.. 2
..         ATOM    C       CA      ILE     A       2       .       -10.488
..   14.266  10.6    1.      20.84   1       1       6
.. 2
..         ATOM    C       C       ILE     A       2       .       -9.367
..   13.302  10.658  1.      11.81   1       1       7
.. 2
..         ATOM    O       O       ILE     A       2       .       -9.58
..   12.092  10.969  1.      20.31   1       1       8
.. 2
..         ATOM    C       CB      ILE     A       2       .       -10.883
..   14.493  9.095   1.      40.     1       1       9
.. 2
..         ATOM    C       CG1     ILE     A       2       .       -11.579
..   13.146  8.697   1.      36.74   1       1       10
.. 2
..         ATOM    C       CG2     ILE     A       2       .       -9.741
..   14.794  8.14    1.      23.02   1       1       11
.. 2
..         ATOM    C       CD1     ILE     A       2       .       -12.813
..   13.031  9.64    1.      26.69   1       1       12
.. 3
..         ATOM    N       N       VAL     A       3       .       -8.133
..   13.759  10.483  1.      16.57   1       1       13
.. 3
..         ATOM    C       CA      VAL     A       3       .       -6.966
..   12.901  10.576  1.      15.75   1       1       14
.. 3
..         ATOM    C       C       VAL     A       3       .       -6.892
..   12.161  11.922  1.      22.09   1       1       15
.. 3
..         ATOM    O       O       VAL     A       3       .       -6.547
..   10.99   12.037  1.      24.52   1       1       16
.. 3
..         ATOM    C       CB      VAL     A       3       .       -5.697
..   13.708  10.225  1.      21.34   1       1       17
.. 3
..         ATOM    C       CG1     VAL     A       3       .       -4.382
..   12.96   10.448  1.      32.48   1       1       18
.. 3
..         ATOM    C       CG2     VAL     A       3       .       -5.842
..   14.209  8.777   1.      26.35   1       1       19
.. 4
..         ATOM    N       N       GLU     A       4       .       -7.043
..   13.019  12.935  1.      16.58   1       1       20
.. 4
..         ATOM    C       CA      GLU     A       4       .       -6.889
..   12.474  14.295  1.      15.32   1       1       21
.. 4
..         ATOM    C       C       GLU     A       4       .       -8.004
..   11.558  14.61   1.      16.88   1       1       22
.. 4
..         ATOM    O       O       GLU     A       4       .       -7.888
..   10.474  15.128  1.      23.3    1       1       23
.. 4
..         ATOM    C       CB      GLU     A       4       .       -6.809
..   13.691  15.266  1.      17.11   1       1       24
.. 4
..         ATOM    C       CG      GLU     A       4       .       -5.615
..   14.565  14.951  1.      21.45   1       1       25
.. 4
..         ATOM    C       CD      GLU     A       4       .       -5.704
..   15.457  13.735  1.      21.59   1       1       26
.. 4
..         ATOM    O       OE1     GLU     A       4       .       -6.757
..   15.959  13.377  1.      23.43   1       1       27
.. 4
..         ATOM    O       OE2     GLU     A       4       .       -4.568
..   15.569  13.179  1.      25.36   1       1       28
.. 5
..         ATOM    N       N       GLN     A       5       .       -9.199
..   12.048  14.356  1.      15.69   1       1       29
.. 5
..         ATOM    C       CA      GLN     A       5       .       -10.407
..   11.299  14.63   1.      12.38   1       1       30
.. 5
..         ATOM    C       C       GLN     A       5       .       -10.431
..   9.94    13.98   1.      19.86   1       1       31
.. 5
..         ATOM    O       O       GLN     A       5       .       -10.815
..   8.931   14.542  1.      16.83   1       1       32
.. 5
..         ATOM    C       CB      GLN     A       5       .       -11.594
..   12.13   14.152  1.      21.13   1       1       33
.. 5
..         ATOM    C       CG      GLN     A       5       .       -12.86
..   11.374  14.561  1.      22.06   1       1       34
.. 5
..         ATOM    C       CD      GLN     A       5       .       -13.946
..   11.901  13.634  1.      42.02   1       1       35
.. 5
..         ATOM    O       OE1     GLN     A       5       .       -13.908
..   13.027  13.169  1.      55.1    1       1       36
.. 5
..         ATOM    N       NE2     GLN     A       5       .       -14.943
..   11.03   13.351  1.      27.27   1       1       37
.. 6
..         ATOM    N       N       CYS     A       6       .       -10.033
..   9.815   12.695  1.      13.19   .       1       38
.. 6
..         ATOM    C       CA      CYS     A       6       .       -10.05
..   8.518   12.065  1.      12.63   .       1       39
.. 6
..         ATOM    C       C       CYS     A       6       .       -9.105
..   7.52    12.667  1.      9.95    .       1       40
.. 6
..         ATOM    O       O       CYS     A       6       .       -9.395
..   6.288   12.666  1.      14.22   .       1       41
.. 6
..         ATOM    C       CB      CYS     A       6       .       -9.66
..   8.673   10.559  1.      12.54   .       1       42
.. 6
..         ATOM    S       SG      CYS     A       6       .       -10.925
..   9.459   9.579   1.      13.     .       1       43
.. 7
..         ATOM    N       N       CYS     A       7       .       -8.018
..   7.992   13.171  1.      10.84   .       1       44
.. 7
..         ATOM    C       CA      CYS     A       7       .       -6.964
..   7.186   13.808  1.      17.02   .       1       45
.. 7
..         ATOM    C       C       CYS     A       7       .       -7.236
..   6.948   15.358  1.      13.71   .       1       46
.. 7
..         ATOM    O       O       CYS     A       7       .       -7.061
..   5.782   15.768  1.      19.28   .       1       47
.. 7
..         ATOM    C       CB      CYS     A       7       .       -5.578
..   7.826   13.656  1.      20.24   .       1       48
.. 7
..         ATOM    S       SG      CYS     A       7       .       -4.181
..   6.819   14.134  1.      13.8    .       1       49
.. 8
..         ATOM    N       N       THR     A       8       .       -7.655
..   7.937   16.058  1.      12.57   .       1       50
.. 8
..         ATOM    C       CA      THR     A       8       .       -7.862
..   7.732   17.52   1.      19.99   .       1       51
.. 8
..         ATOM    C       C       THR     A       8       .       -9.143
..   6.997   17.87   1.      26.34   .       1       52
.. 8
..         ATOM    O       O       THR     A       8       .       -9.189
..   6.157   18.795  1.      25.43   .       1       53
.. 8
..         ATOM    C       CB      THR     A       8       .       -7.728
..   9.055   18.386  1.      20.77   .       1       54
.. 8
..         ATOM    O       OG1     THR     A       8       .       -8.889
..   9.918   18.117  1.      26.76   .       1       55
.. 8
..         ATOM    C       CG2     THR     A       8       .       -6.334
..   9.7     18.196  1.      26.5    .       1       56
.. 9
..         ATOM    N       N       SER     A       9       .       -10.17
..   7.35    17.058  1.      20.01   .       1       57
.. 9
..         ATOM    C       CA      SER     A       9       .       -11.509
..   6.803   17.121  1.      16.88   .       1       58
.. 9
..         ATOM    C       C       SER     A       9       .       -11.796
..   5.981   15.856  1.      12.7    .       1       59
.. 9
..         ATOM    O       O       SER     A       9       .       -11.139
..   5.01    15.473  1.      17.6    .       1       60
.. 9
..         ATOM    C       CB      SER     A       9       .       -12.331
..   8.067   17.439  1.      19.52   .       1       61
.. 9
..         ATOM    O       OG      SER     A       9       .       -13.674
..   7.774   17.65   1.      32.34   .       1       62
.. 10
..         ATOM    N       N       ILE     A       10      .       -12.883
..   6.382   15.159  1.      15.34   .       1       63
.. 10
..         ATOM    C       CA      ILE     A       10      .       -13.35
..   5.723   13.932  1.      20.23   .       1       64
.. 10
..         ATOM    C       C       ILE     A       10      .       -13.969
..   6.902   13.106  1.      17.5    .       1       65
.. 10
..         ATOM    O       O       ILE     A       10      .       -14.355
..   7.922   13.623  1.      16.6    .       1       66
.. 10
..         ATOM    C       CB      ILE     A       10      .       -14.366
..   4.524   14.047  1.      19.39   .       1       67
.. 10
..         ATOM    C       CG1     ILE     A       10      .       -15.702
..   4.874   14.742  1.      22.05   .       1       68
.. 10
..         ATOM    C       CG2     ILE     A       10      .       -13.711
..   3.3     14.723  1.      23.3    .       1       69
.. 10
..         ATOM    C       CD1     ILE     A       10      .       -16.702
..   3.722   15.005  1.      42.11   .       1       70
.. 11
..         ATOM    N       N       CYS     A       11      .       -14.08
..   6.685   11.767  1.      12.14   .       1       71
.. 11
..         ATOM    C       CA      CYS     A       11      .       -14.665
..   7.679   10.88   1.      11.24   .       1       72
.. 11
..         ATOM    C       C       CYS     A       11      .       -15.301
..   6.881   9.766   1.      12.17   .       1       73
.. 11
..         ATOM    O       O       CYS     A       11      .       -14.962
..   5.692   9.528   1.      21.14   .       1       74
.. 11
..         ATOM    C       CB      CYS     A       11      .       -13.695
..   8.702   10.417  1.      13.03   .       1       75
.. 11
..         ATOM    S       SG      CYS     A       11      .       -12.375
..   8.019   9.385   1.      13.6    .       1       76
.. 12
..         ATOM    N       N       SER     A       12      .       -16.233
..   7.557   9.095   1.      11.37   .       1       77
.. 12
..         ATOM    C       CA      SER     A       12      .       -16.999
..   6.978   8.005   1.      9.91    .       1       78
.. 12
..         ATOM    C       C       SER     A       12      .       -16.563
..   7.644   6.726   1.      7.4     .       1       79
.. 12
..         ATOM    O       O       SER     A       12      .       -15.967
..   8.753   6.711   1.      9.67    .       1       80
.. 12
..         ATOM    C       CB      SER     A       12      .       -18.516
..   7.183   8.084   1.      16.64   .       1       81
.. 12
..         ATOM    O       OG      SER     A       12      .       -18.869
..   8.543   7.881   1.      17.14   .       1       82
.. 13
..         ATOM    N       N       LEU     A       13      .       -16.852
..   6.914   5.612   1.      11.35   .       1       83
.. 13
..         ATOM    C       CA      LEU     A       13      .       -16.53
..   7.444   4.259   1.      11.35   .       1       84
.. 13
..         ATOM    C       C       LEU     A       13      .       -17.317
..   8.715   4.03    1.      12.55   .       1       85
.. 13
..         ATOM    O       O       LEU     A       13      .       -16.835
..   9.521   3.226   1.      11.78   .       1       86
.. 13
..         ATOM    C       CB      LEU     A       13      .       -16.774
..   6.348   3.232   1.      11.66   .       1       87
.. 13
..         ATOM    C       CG      LEU     A       13      .       -15.94
..   5.046   3.316   1.      18.12   .       1       88
.. 13
..         ATOM    C       CD1     LEU     A       13      .       -16.05
..   4.197   2.018   1.      18.76   .       1       89
.. 13
..         ATOM    C       CD2     LEU     A       13      .       -14.471
..   5.32    3.537   1.      17.26   .       1       90
.. 14
..         ATOM    N       N       TYR     A       14      .       -18.491
..   8.79    4.629   1.      10.84   .       1       91
.. 14
..         ATOM    C       CA      TYR     A       14      .       -19.282
..   10.035  4.368   1.      10.75   .       1       92
.. 14
..         ATOM    C       C       TYR     A       14      .       -18.639
..   11.228  4.963   1.      12.81   .       1       93
.. 14
..         ATOM    O       O       TYR     A       14      .       -18.706
..   12.298  4.341   1.      15.11   .       1       94
.. 14
..         ATOM    C       CB      TYR     A       14      .       -20.746
..   9.9     4.799   1.      12.9    .       1       95
.. 14
..         ATOM    C       CG      TYR     A       14      .       -21.463
..   8.764   4.079   1.      18.23   .       1       96
.. 14
..         ATOM    C       CD1     TYR     A       14      .       -22.11
..   9.123   2.891   1.      18.95   .       1       97
.. 14
..         ATOM    C       CD2     TYR     A       14      .       -21.461
..   7.44    4.475   1.      15.42   .       1       98
.. 14
..         ATOM    C       CE1     TYR     A       14      .       -22.767
..   8.167   2.086   1.      18.15   .       1       99
.. 14
..         ATOM    C       CE2     TYR     A       14      .       -22.118
..   6.436   3.676   1.      14.31   .       1       100
.. 14
..         ATOM    C       CZ      TYR     A       14      .       -22.738
..   6.856   2.556   1.      15.47   .       1       101
.. 14
..         ATOM    O       OH      TYR     A       14      .       -23.436
..   5.926   1.716   1.      24.86   .       1       102
.. 15
..         ATOM    N       N       GLN     A       15      .       -17.945
..   11.1    6.091   1.      9.63    .       1       103
.. 15
..         ATOM    C       CA      GLN     A       15      .       -17.178
..   12.138  6.774   1.      9.4     .       1       104
.. 15
..         ATOM    C       C       GLN     A       15      .       -16.012
..   12.543  5.9     1.      10.52   .       1       105
.. 15
..         ATOM    O       O       GLN     A       15      .       -15.611
..   13.717  5.722   1.      14.25   .       1       106
.. 15
..         ATOM    C       CB      GLN     A       15      .       -16.774
..   11.841  8.205   1.      13.89   .       1       107
.. 15
..         ATOM    C       CG      GLN     A       15      .       -17.894
..   11.668  9.206   1.      17.53   .       1       108
.. 15
..         ATOM    C       CD      GLN     A       15      .       -17.524
..   11.056  10.515  1.      28.21   .       1       109
.. 15
..         ATOM    O       OE1     GLN     A       15      .       -16.865
..   10.027  10.598  1.      20.14   .       1       110
.. 15
..         ATOM    N       NE2     GLN     A       15      .       -17.994
..   11.65   11.624  1.      30.25   .       1       111
.. 16
..         ATOM    N       N       LEU     A       16      .       -15.352
..   11.525  5.325   1.      12.99   .       1       112
.. 16
..         ATOM    C       CA      LEU     A       16      .       -14.185
..   11.826  4.47    1.      11.19   .       1       113
.. 16
..         ATOM    C       C       LEU     A       16      .       -14.605
..   12.634  3.249   1.      15.54   .       1       114
.. 16
..         ATOM    O       O       LEU     A       16      .       -13.767
..   13.398  2.745   1.      16.01   .       1       115
.. 16
..         ATOM    C       CB      LEU     A       16      .       -13.588
..   10.521  4.06    1.      12.67   .       1       116
.. 16
..         ATOM    C       CG      LEU     A       16      .       -12.954
..   9.717   5.182   1.      13.07   .       1       117
.. 16
..         ATOM    C       CD1     LEU     A       16      .       -12.115
..   8.571   4.602   1.      16.61   .       1       118
.. 16
..         ATOM    C       CD2     LEU     A       16      .       -12.041
..   10.559  6.028   1.      16.5    .       1       119
.. 17
..         ATOM    N       N       GLU     A       17      .       -15.779
..   12.42   2.759   1.      17.5    .       1       120
.. 17
..         ATOM    C       CA      GLU     A       17      .       -16.223
..   13.179  1.589   1.      17.72   .       1       121
.. 17
..         ATOM    C       C       GLU     A       17      .       -16.171
..   14.693  1.811   1.      19.21   .       1       122
.. 17
..         ATOM    O       O       GLU     A       17      .       -16.118
..   15.466  0.803   1.      18.48   .       1       123
.. 17
..         ATOM    C       CB      GLU     A       17      .       -17.645
..   12.862  1.215   1.      17.38   .       1       124
.. 17
..         ATOM    C       CG      GLU     A       17      .       -17.885
..   11.629  0.36    1.      27.97   .       1       125
.. 17
..         ATOM    C       CD      GLU     A       17      .       -19.225
..   11.667  -0.391  1.      26.7    .       1       126
.. 17
..         ATOM    O       OE1     GLU     A       17      .       -20.201
..   11.466  0.276   1.      29.93   .       1       127
.. 17
..         ATOM    O       OE2     GLU     A       17      .       -19.127
..   11.873  -1.643  1.      34.66   .       1       128
.. 18
..         ATOM    N       N       ASN     A       18      .       -16.094
..   15.074  3.104   1.      15.1    .       1       129
.. 18
..         ATOM    C       CA      ASN     A       18      .       -16.029
..   16.534  3.332   1.      18.85   .       1       130
.. 18
..         ATOM    C       C       ASN     A       18      .       -14.703
..   17.131  2.954   1.      18.46   .       1       131
.. 18
..         ATOM    O       O       ASN     A       18      .       -14.545
..   18.377  2.834   1.      19.68   .       1       132
.. 18
..         ATOM    C       CB      ASN     A       18      .       -16.489
..   16.934  4.738   1.      20.66   .       1       133
.. 18
..         ATOM    C       CG      ASN     A       18      .       -17.868
..   16.338  5.142   1.      29.79   .       1       134
.. 18
..         ATOM    O       OD1     ASN     A       18      .       -18.813
..   16.053  4.382   1.      34.48   .       1       135
.. 18
..         ATOM    N       ND2     ASN     A       18      .       -17.991
..   16.168  6.452   1.      36.     .       1       136
.. 19
..         ATOM    N       N       TYR     A       19      .       -13.697
..   16.327  2.738   1.      15.68   .       1       137
.. 19
..         ATOM    C       CA      TYR     A       19      .       -12.358
..   16.724  2.38    1.      14.19   .       1       138
.. 19
..         ATOM    C       C       TYR     A       19      .       -12.154
..   16.695  0.899   1.      13.2    .       1       139
.. 19
..         ATOM    O       O       TYR     A       19      .       -11.01
..   17.038  0.48    1.      16.12   .       1       140
.. 19
..         ATOM    C       CB      TYR     A       19      .       -11.364
..   15.84   3.178   1.      14.35   .       1       141
.. 19
..         ATOM    C       CG      TYR     A       19      .       -11.586
..   16.223  4.634   1.      21.24   .       1       142
.. 19
..         ATOM    C       CD1     TYR     A       19      .       -10.853
..   17.3    5.129   1.      26.61   .       1       143
.. 19
..         ATOM    C       CD2     TYR     A       19      .       -12.562
..   15.703  5.445   1.      19.21   .       1       144
.. 19
..         ATOM    C       CE1     TYR     A       19      .       -11.084
..   17.801  6.393   1.      27.8    .       1       145
.. 19
..         ATOM    C       CE2     TYR     A       19      .       -12.833
..   16.207  6.714   1.      23.98   .       1       146
.. 19
..         ATOM    C       CZ      TYR     A       19      .       -12.081
..   17.267  7.187   1.      34.08   .       1       147
.. 19
..         ATOM    O       OH      TYR     A       19      .       -12.227
..   17.849  8.4     1.      37.96   .       1       148
.. 20
..         ATOM    N       N       CYS     A       20      .       -13.057
..   16.313  0.077   1.      13.05   .       1       149
.. 20
..         ATOM    C       CA      CYS     A       20      .       -12.838
..   16.309  -1.389  1.      18.69   .       1       150
.. 20
..         ATOM    C       C       CYS     A       20      .       -12.984
..   17.799  -1.802  1.      19.09   .       1       151
.. 20
..         ATOM    O       O       CYS     A       20      .       -13.588
..   18.579  -1.084  1.      19.31   .       1       152
.. 20
..         ATOM    C       CB      CYS     A       20      .       -13.85
..   15.49   -2.157  1.      15.99   .       1       153
.. 20
..         ATOM    S       SG      CYS     A       20      .       -13.923
..   13.761  -1.584  1.      12.9    .       1       154
.. 21
..         ATOM    N       N       ASN     A       21      .       -12.38
..   18.063  -2.909  1.      17.63   .       1       155
.. 21
..         ATOM    C       CA      ASN     A       21      .       -12.404
..   19.399  -3.608  1.      25.23   .       1       156
.. 21
..         ATOM    C       C       ASN     A       21      .       -13.642
..   19.696  -4.447  1.      34.82   .       1       157
.. 21
..         ATOM    O       O       ASN     A       21      .       -14.146
..   18.703  -4.956  1.      31.24   .       1       158
.. 21
..         ATOM    C       CB      ASN     A       21      .       -11.228
..   19.392  -4.521  1.      19.06   .       1       159
.. 21
..         ATOM    C       CG      ASN     A       21      .       -10.02
..   20.283  -4.456  1.      40.71   .       1       160
.. 21
..         ATOM    O       OD1     ASN     A       21      .       -10.067
..   21.38   -5.083  1.      68.22   .       1       161
.. 21
..         ATOM    N       ND2     ASN     A       21      .       -9.004
..   19.667  -3.808  1.      39.69   .       1       162
.. 21
..         ATOM    O       OXT     ASN     A       21      .       -13.881
..   20.89   -4.604  1.      41.83   .       1       163
.. #21
.. # TER   .  .    ASN A   21  .    .       .       .      .     .    .    1    164
.. 22
..         ATOM    N       N       PHE     B       1       .       -21.768
..   1.132   3.577   1.      25.87   .       2       165
.. 22
..         ATOM    C       CA      PHE     B       1       .       -20.374
..   1.368   4.053   1.      24.3    .       2       166
.. 22
..         ATOM    C       C       PHE     B       1       .       -20.341
..   1.145   5.585   1.      39.74   .       2       167
.. 22
..         ATOM    O       O       PHE     B       1       .       -21.423
..   1.141   6.173   1.      38.1    .       2       168
.. 22
..         ATOM    C       CB      PHE     B       1       .       -19.806
..   2.718   3.624   1.      22.51   .       2       169
.. 22
..         ATOM    C       CG      PHE     B       1       .       -19.924
..   2.916   2.131   1.      16.52   .       2       170
.. 22
..         ATOM    C       CD1     PHE     B       1       .       -20.067
..   4.204   1.618   1.      35.58   .       2       171
.. 22
..         ATOM    C       CD2     PHE     B       1       .       -19.709
..   1.873   1.262   1.      20.86   .       2       172
.. 22
..         ATOM    C       CE1     PHE     B       1       .       -20.093
..   4.444   0.243   1.      52.66   .       2       173
.. 22
..         ATOM    C       CE2     PHE     B       1       .       -19.824
..   2.067   -0.123  1.      51.46   .       2       174
.. 22
..         ATOM    C       CZ      PHE     B       1       .       -20.011
..   3.332   -0.631  1.      42.63   .       2       175
.. 23
..         ATOM    N       N       VAL     B       2       .       -19.104
..   0.899   6.027   1.      21.12   .       2       176
.. 23
..         ATOM    C       CA      VAL     B       2       .       -18.754
..   0.598   7.406   1.      36.74   .       2       177
.. 23
..         ATOM    C       C       VAL     B       2       .       -17.78
..   1.656   7.965   1.      23.52   .       2       178
.. 23
..         ATOM    O       O       VAL     B       2       .       -17.104
..   2.328   7.197   1.      19.56   .       2       179
.. 23
..         ATOM    C       CB      VAL     B       2       .       -18.048
..   -0.765  7.638   1.      30.58   .       2       180
.. 23
..         ATOM    C       CG1     VAL     B       2       .       -18.993
..   -1.953  7.609   1.      25.73   .       2       181
.. 23
..         ATOM    C       CG2     VAL     B       2       .       -16.776
..   -0.916  6.799   1.      22.31   .       2       182
.. 24
..         ATOM    N       N       ASN     B       3       .       -17.741
..   1.753   9.278   1.      13.38   .       2       183
.. 24
..         ATOM    C       CA      ASN     B       3       .       -16.872
..   2.691   9.95    1.      13.94   .       2       184
.. 24
..         ATOM    C       C       ASN     B       3       .       -15.457
..   2.1     9.881   1.      15.03   .       2       185
.. 24
..         ATOM    O       O       ASN     B       3       .       -15.312
..   0.857   9.926   1.      24.85   .       2       186
.. 24
..         ATOM    C       CB      ASN     B       3       .       -17.272
..   3.01    11.382  1.      25.01   .       2       187
.. 24
..         ATOM    C       CG      ASN     B       3       .       -18.513
..   3.844   11.511  1.      49.04   .       2       188
.. 24
..         ATOM    O       OD1     ASN     B       3       .       -18.658
..   4.774   10.724  1.      34.5    .       2       189
.. 24
..         ATOM    N       ND2     ASN     B       3       .       -19.333
..   3.415   12.473  1.      35.     .       2       190
.. 25
..         ATOM    N       N       GLN     B       4       .       -14.509
..   3.031   9.767   1.      12.52   2       2       191
.. 25
..         ATOM    C       CA      GLN     B       4       .       -13.137
..   2.542   9.571   1.      22.69   2       2       192
.. 25
..         ATOM    C       C       GLN     B       4       .       -12.213
..   3.224   10.58   1.      13.29   2       2       193
.. 25
..         ATOM    O       O       GLN     B       4       .       -12.347
..   4.333   11.118  1.      20.53   2       2       194
.. 25
..         ATOM    C       CB      GLN     B       4       .       -12.666
..   2.76    8.116   1.      39.18   2       2       195
.. 25
..         ATOM    C       CG      GLN     B       4       A       -13.007
..   1.731   7.035   0.6     11.45   2       2       196
.. 25
..         ATOM    C       CG      GLN     B       4       B       -12.978
..   1.763   6.996   0.4     37.3    2       2       197
.. 25
..         ATOM    C       CD      GLN     B       4       A       -12.27
..   0.52    6.83    0.6     12.42   2       2       198
.. 25
..         ATOM    C       CD      GLN     B       4       B       -14.07
..   2.781   6.746   0.4     32.97   2       2       199
.. 25
..         ATOM    O       OE1     GLN     B       4       A       -12.812
..   -0.612  6.494   0.6     17.67   2       2       200
.. 25
..         ATOM    O       OE1     GLN     B       4       B       -14.059
..   3.957   7.112   0.4     40.     2       2       201
.. 25
..         ATOM    N       NE2     GLN     B       4       A       -10.898
..   0.624   6.949   0.6     28.94   2       2       202
.. 25
..         ATOM    N       NE2     GLN     B       4       B       -15.108
..   2.179   6.165   0.4     35.67   2       2       203
.. 26
..         ATOM    N       N       HIS     B       5       .       -11.158
..   2.442   10.837  1.      13.02   1       2       204
.. 26
..         ATOM    C       CA      HIS     B       5       .       -10.083
..   3.      11.779  1.      17.05   1       2       205
.. 26
..         ATOM    C       C       HIS     B       5       .       -8.855
..   3.149   10.899  1.      10.95   1       2       206
.. 26
..         ATOM    O       O       HIS     B       5       .       -8.284
..   2.166   10.38   1.      17.14   1       2       207
.. 26
..         ATOM    C       CB      HIS     B       5       .       -9.982
..   1.956   12.877  1.      22.24   1       2       208
.. 26
..         ATOM    C       CG      HIS     B       5       .       -8.934
..   2.4     13.86   1.      25.74   1       2       209
.. 26
..         ATOM    N       ND1     HIS     B       5       .       -8.072
..   1.535   14.436  1.      35.32   1       2       210
.. 26
..         ATOM    C       CD2     HIS     B       5       .       -8.637
..   3.596   14.329  1.      28.02   1       2       211
.. 26
..         ATOM    C       CE1     HIS     B       5       .       -7.275
..   2.24    15.211  1.      28.73   1       2       212
.. 26
..         ATOM    N       NE2     HIS     B       5       .       -7.571
..   3.509   15.15   1.      30.21   1       2       213
.. 27
..         ATOM    N       N       LEU     B       6       .       -8.529
..   4.4     10.604  1.      11.3    .       2       214
.. 27
..         ATOM    C       CA      LEU     B       6       .       -7.468
..   4.709   9.611   1.      11.13   .       2       215
.. 27
..         ATOM    C       C       LEU     B       6       .       -6.399
..   5.604   10.158  1.      11.03   .       2       216
.. 27
..         ATOM    O       O       LEU     B       6       .       -6.695
..   6.779   10.484  1.      13.66   .       2       217
.. 27
..         ATOM    C       CB      LEU     B       6       .       -8.231
..   5.398   8.411   1.      14.13   .       2       218
.. 27
..         ATOM    C       CG      LEU     B       6       .       -9.251
..   4.634   7.563   1.      13.39   .       2       219
.. 27
..         ATOM    C       CD1     LEU     B       6       .       -10.017
..   5.598   6.671   1.      14.7    .       2       220
.. 27
..         ATOM    C       CD2     LEU     B       6       .       -8.62
..   3.517   6.767   1.      18.25   .       2       221
.. 28
..         ATOM    N       N       CYS     B       7       .       -5.18
..   5.069   10.115  1.      10.06   .       2       222
.. 28
..         ATOM    C       CA      CYS     B       7       .       -4.058
..   5.835   10.569  1.      10.7    .       2       223
.. 28
..         ATOM    C       C       CYS     B       7       .       -3.033
..   5.982   9.484   1.      13.26   .       2       224
.. 28
..         ATOM    O       O       CYS     B       7       .       -2.955
..   5.198   8.573   1.      19.1    .       2       225
.. 28
..         ATOM    C       CB      CYS     B       7       .       -3.434
..   5.105   11.762  1.      15.88   .       2       226
.. 28
..         ATOM    S       SG      CYS     B       7       .       -4.523
..   5.099   13.246  1.      16.4    .       2       227
.. 29
..         ATOM    N       N       GLY     B       8       .       -2.181
..   6.993   9.54    1.      12.37   .       2       228
.. 29
..         ATOM    C       CA      GLY     B       8       .       -1.07
..   7.261   8.632   1.      12.72   .       2       229
.. 29
..         ATOM    C       C       GLY     B       8       .       -1.465
..   7.317   7.204   1.      13.24   .       2       230
.. 29
..         ATOM    O       O       GLY     B       8       .       -2.47
..   7.884   6.744   1.      11.92   .       2       231
.. 30
..         ATOM    N       N       SER     B       9       .       -0.609
..   6.582   6.429   1.      11.74   .       2       232
.. 30
..         ATOM    C       CA      SER     B       9       .       -0.863
..   6.544   4.98    1.      15.89   .       2       233
.. 30
..         ATOM    C       C       SER     B       9       .       -2.183
..   5.87    4.578   1.      9.73    .       2       234
.. 30
..         ATOM    O       O       SER     B       9       .       -2.649
..   6.111   3.528   1.      10.43   .       2       235
.. 30
..         ATOM    C       CB      SER     B       9       .       0.309
..   5.921   4.206   1.      17.74   .       2       236
.. 30
..         ATOM    O       OG      SER     B       9       .       0.534
..   4.626   4.735   1.      17.37   .       2       237
.. 31
..         ATOM    N       N       HIS     B       10      .       -2.721
..   5.1     5.451   1.      10.19   .       2       238
.. 31
..         ATOM    C       CA      HIS     B       10      .       -3.94
..   4.379   5.188   1.      7.66    .       2       239
.. 31
..         ATOM    C       C       HIS     B       10      .       -5.081
..   5.431   5.075   1.      10.17   .       2       240
.. 31
..         ATOM    O       O       HIS     B       10      .       -6.021
..   5.163   4.291   1.      10.92   .       2       241
.. 31
..         ATOM    C       CB      HIS     B       10      .       -4.234
..   3.316   6.228   1.      9.55    .       2       242
.. 31
..         ATOM    C       CG      HIS     B       10      .       -3.192
..   2.269   6.364   1.      9.55    .       2       243
.. 31
..         ATOM    N       ND1     HIS     B       10      .       -3.043
..   1.31    5.423   1.      15.86   .       2       244
.. 31
..         ATOM    C       CD2     HIS     B       10      .       -2.289
..   1.991   7.311   1.      8.47    .       2       245
.. 31
..         ATOM    C       CE1     HIS     B       10      .       -2.078
..   0.573   5.774   1.      10.65   .       2       246
.. 31
..         ATOM    N       NE2     HIS     B       10      .       -1.589
..   0.939   6.878   1.      9.41    .       2       247
.. 32
..         ATOM    N       N       LEU     B       11      .       -5.016
..   6.497   5.81    1.      8.93    .       2       248
.. 32
..         ATOM    C       CA      LEU     B       11      .       -6.071
..   7.518   5.617   1.      9.64    .       2       249
.. 32
..         ATOM    C       C       LEU     B       11      .       -5.967
..   8.182   4.279   1.      7.89    .       2       250
.. 32
..         ATOM    O       O       LEU     B       11      .       -6.969
..   8.462   3.666   1.      9.74    .       2       251
.. 32
..         ATOM    C       CB      LEU     B       11      .       -5.86
..   8.541   6.74    1.      6.93    .       2       252
.. 32
..         ATOM    C       CG      LEU     B       11      .       -6.949
..   9.607   6.783   1.      14.5    .       2       253
.. 32
..         ATOM    C       CD1     LEU     B       11      .       -8.376
..   9.229   6.627   1.      18.34   .       2       254
.. 32
..         ATOM    C       CD2     LEU     B       11      .       -6.742
..   10.309  8.115   1.      20.7    .       2       255
.. 33
..         ATOM    N       N       VAL     B       12      .       -4.751
..   8.449   3.799   1.      10.12   2       2       256
.. 33
..         ATOM    C       CA      VAL     B       12      .       -4.579
..   9.057   2.495   1.      8.05    2       2       257
.. 33
..         ATOM    C       C       VAL     B       12      .       -5.05
..   8.131   1.372   1.      8.14    2       2       258
.. 33
..         ATOM    O       O       VAL     B       12      .       -5.595
..   8.653   0.398   1.      11.63   2       2       259
.. 33
..         ATOM    C       CB      VAL     B       12      .       -3.153
..   9.538   2.23    1.      11.54   2       2       260
.. 33
..         ATOM    C       CG1     VAL     B       12      .       -2.809
..   10.67   3.148   1.      17.75   2       2       261
.. 33
..         ATOM    C       CG2     VAL     B       12      A       -2.822
..   9.786   0.799   0.5     4.68    2       2       262
.. 33
..         ATOM    C       CG2     VAL     B       12      B       -1.963
..   8.655   2.123   0.5     10.87   2       2       263
.. 34
..         ATOM    N       N       GLU     B       13      .       -4.906
..   6.88    1.502   1.      6.12    .       2       264
.. 34
..         ATOM    C       CA      GLU     B       13      .       -5.432
..   5.946   0.542   1.      8.88    .       2       265
.. 34
..         ATOM    C       C       GLU     B       13      .       -6.966
..   6.014   0.472   1.      12.22   .       2       266
.. 34
..         ATOM    O       O       GLU     B       13      .       -7.578
..   6.035   -0.614  1.      11.15   .       2       267
.. 34
..         ATOM    C       CB      GLU     B       13      .       -4.996
..   4.506   0.854   1.      12.65   .       2       268
.. 34
..         ATOM    C       CG      GLU     B       13      .       -3.497
..   4.444   0.582   1.      15.6    .       2       269
.. 34
..         ATOM    C       CD      GLU     B       13      .       -3.246
..   3.857   -0.794  1.      53.85   .       2       270
.. 34
..         ATOM    O       OE1     GLU     B       13      .       -4.238
..   3.643   -1.5    1.      33.68   .       2       271
.. 34
..         ATOM    O       OE2     GLU     B       13      .       -2.114
..   3.611   -1.126  1.      47.24   .       2       272
.. 35
..         ATOM    N       N       ALA     B       14      .       -7.659
..   6.004   1.637   1.      7.15    .       2       273
.. 35
..         ATOM    C       CA      ALA     B       14      .       -9.061
..   6.164   1.719   1.      7.29    .       2       274
.. 35
..         ATOM    C       C       ALA     B       14      .       -9.563
..   7.482   1.051   1.      6.8     .       2       275
.. 35
..         ATOM    O       O       ALA     B       14      .       -10.595
..   7.468   0.346   1.      11.1    .       2       276
.. 35
..         ATOM    C       CB      ALA     B       14      .       -9.604
..   6.039   3.106   1.      12.06   .       2       277
.. 36
..         ATOM    N       N       LEU     B       15      .       -8.876
..   8.58    1.321   1.      6.72    .       2       278
.. 36
..         ATOM    C       CA      LEU     B       15      .       -9.224
..   9.854   0.717   1.      13.51   .       2       279
.. 36
..         ATOM    C       C       LEU     B       15      .       -9.111
..   9.815   -0.829  1.      14.62   .       2       280
.. 36
..         ATOM    O       O       LEU     B       15      .       -9.956
..   10.39   -1.496  1.      12.32   .       2       281
.. 36
..         ATOM    C       CB      LEU     B       15      .       -8.317
..   10.981  1.327   1.      9.71    .       2       282
.. 36
..         ATOM    C       CG      LEU     B       15      .       -8.755
..   11.581  2.649   1.      8.92    .       2       283
.. 36
..         ATOM    C       CD1     LEU     B       15      .       -7.682
..   12.475  3.236   1.      14.49   .       2       284
.. 36
..         ATOM    C       CD2     LEU     B       15      .       -10.096
..   12.235  2.46    1.      12.03   .       2       285
.. 37
..         ATOM    N       N       TYR     B       16      .       -8.05
..   9.147   -1.297  1.      8.65    .       2       286
.. 37
..         ATOM    C       CA      TYR     B       16      .       -7.838
..   8.961   -2.686  1.      8.75    .       2       287
.. 37
..         ATOM    C       C       TYR     B       16      .       -8.999
..   8.175   -3.284  1.      11.14   .       2       288
.. 37
..         ATOM    O       O       TYR     B       16      .       -9.508
..   8.504   -4.371  1.      14.34   .       2       289
.. 37
..         ATOM    C       CB      TYR     B       16      .       -6.494
..   8.247   -3.047  1.      7.72    .       2       290
.. 37
..         ATOM    C       CG      TYR     B       16      .       -6.271
..   8.027   -4.522  1.      10.81   .       2       291
.. 37
..         ATOM    C       CD1     TYR     B       16      .       -6.45
..   6.784   -5.047  1.      17.09   .       2       292
.. 37
..         ATOM    C       CD2     TYR     B       16      .       -6.009
..   9.104   -5.338  1.      12.64   .       2       293
.. 37
..         ATOM    C       CE1     TYR     B       16      .       -6.354
..   6.581   -6.467  1.      17.76   .       2       294
.. 37
..         ATOM    C       CE2     TYR     B       16      .       -5.898
..   8.958   -6.741  1.      13.94   .       2       295
.. 37
..         ATOM    C       CZ      TYR     B       16      .       -6.11
..   7.692   -7.259  1.      17.34   .       2       296
.. 37
..         ATOM    O       OH      TYR     B       16      .       -5.925
..   7.52    -8.594  1.      25.34   .       2       297
.. 38
..         ATOM    N       N       LEU     B       17      .       -9.428
..   7.109   -2.664  1.      8.68    .       2       298
.. 38
..         ATOM    C       CA      LEU     B       17      .       -10.566
..   6.29    -3.167  1.      8.83    .       2       299
.. 38
..         ATOM    C       C       LEU     B       17      .       -11.861
..   7.087   -3.142  1.      10.95   .       2       300
.. 38
..         ATOM    O       O       LEU     B       17      .       -12.65
..   7.046   -4.073  1.      15.67   .       2       301
.. 38
..         ATOM    C       CB      LEU     B       17      .       -10.665
..   5.052   -2.327  1.      10.82   .       2       302
.. 38
..         ATOM    C       CG      LEU     B       17      .       -9.594
..   4.104   -2.924  1.      28.76   .       2       303
.. 38
..         ATOM    C       CD1     LEU     B       17      .       -9.136
..   3.067   -1.933  1.      30.52   .       2       304
.. 38
..         ATOM    C       CD2     LEU     B       17      .       -10.28
..   3.54    -4.157  1.      34.91   .       2       305
.. 39
..         ATOM    N       N       VAL     B       18      .       -12.123
..   7.786   -2.036  1.      8.85    .       2       306
.. 39
..         ATOM    C       CA      VAL     B       18      .       -13.351
..   8.545   -1.933  1.      8.77    .       2       307
.. 39
..         ATOM    C       C       VAL     B       18      .       -13.433
..   9.713   -2.873  1.      9.77    .       2       308
.. 39
..         ATOM    O       O       VAL     B       18      .       -14.472
..   9.937   -3.457  1.      16.86   .       2       309
.. 39
..         ATOM    C       CB      VAL     B       18      .       -13.604
..   8.974   -0.463  1.      14.39   .       2       310
.. 39
..         ATOM    C       CG1     VAL     B       18      .       -14.784
..   9.899   -0.282  1.      11.72   .       2       311
.. 39
..         ATOM    C       CG2     VAL     B       18      .       -13.862
..   7.763   0.393   1.      12.58   .       2       312
.. 40
..         ATOM    N       N       CYS     B       19      .       -12.422
..   10.518  -2.958  1.      9.03    .       2       313
.. 40
..         ATOM    C       CA      CYS     B       19      .       -12.433
..   11.758  -3.756  1.      8.88    .       2       314
.. 40
..         ATOM    C       C       CYS     B       19      .       -11.994
..   11.555  -5.212  1.      14.69   .       2       315
.. 40
..         ATOM    O       O       CYS     B       19      .       -12.41
..   12.303  -6.126  1.      16.46   .       2       316
.. 40
..         ATOM    C       CB      CYS     B       19      .       -11.558
..   12.719  -3.005  1.      11.19   .       2       317
.. 40
..         ATOM    S       SG      CYS     B       19      .       -12.04
..   13.127  -1.344  1.      10.1    .       2       318
.. 41
..         ATOM    N       N       GLY     B       20      .       -11.149
..   10.609  -5.463  1.      17.12   .       2       319
.. 41
..         ATOM    C       CA      GLY     B       20      .       -10.685
..   10.359  -6.851  1.      21.59   .       2       320
.. 41
..         ATOM    C       C       GLY     B       20      .       -10.275
..   11.65   -7.524  1.      21.38   .       2       321
.. 41
..         ATOM    O       O       GLY     B       20      .       -9.494
..   12.483  -7.053  1.      20.41   .       2       322
.. 42
..         ATOM    N       N       GLU     B       21      .       -10.784
..   11.844  -8.71   1.      29.76   2       2       323
.. 42
..         ATOM    C       CA      GLU     B       21      .       -10.398
..   13.043  -9.501  1.      24.44   2       2       324
.. 42
..         ATOM    C       C       GLU     B       21      .       -10.898
..   14.356  -9.065  1.      19.21   2       2       325
.. 42
..         ATOM    O       O       GLU     B       21      .       -10.43
..   15.331  -9.665  1.      19.     2       2       326
.. 42
..         ATOM    C       CB      GLU     B       21      .       -10.776
..   12.724  -10.968 1.      28.66   2       2       327
.. 42
..         ATOM    C       CG      GLU     B       21      A       -12.31
..   12.519  -11.045 0.5     56.11   2       2       328
.. 42
..         ATOM    C       CG      GLU     B       21      B       -9.804
..   13.415  -11.966 0.5     75.35   2       2       329
.. 42
..         ATOM    C       CD      GLU     B       21      A       -12.707
..   11.349  -11.901 0.5     62.47   2       2       330
.. 42
..         ATOM    C       CD      GLU     B       21      B       -9.689
..   13.292  -13.466 0.5     52.68   2       2       331
.. 42
..         ATOM    O       OE1     GLU     B       21      A       -12.515
..   10.193  -11.564 0.5     48.34   2       2       332
.. 42
..         ATOM    O       OE1     GLU     B       21      B       -10.54
..   12.768  -14.159 0.5     50.28   2       2       333
.. 42
..         ATOM    O       OE2     GLU     B       21      A       -13.225
..   11.772  -12.958 0.5     49.92   2       2       334
.. 42
..         ATOM    O       OE2     GLU     B       21      B       -8.505
..   13.537  -13.781 0.5     27.33   2       2       335
.. 43
..         ATOM    N       N       ARG     B       22      .       -11.703
..   14.491  -8.034  1.      15.49   2       2       336
.. 43
..         ATOM    C       CA      ARG     B       22      .       -12.089
..   15.732  -7.456  1.      16.44   2       2       337
.. 43
..         ATOM    C       C       ARG     B       22      .       -10.797
..   16.222  -6.745  1.      17.7    2       2       338
.. 43
..         ATOM    O       O       ARG     B       22      .       -10.636
..   17.458  -6.608  1.      21.36   2       2       339
.. 43
..         ATOM    C       CB      ARG     B       22      .       -13.234
..   15.678  -6.464  1.      21.99   2       2       340
.. 43
..         ATOM    C       CG      ARG     B       22      .       -14.645
..   15.427  -7.037  1.      57.89   2       2       341
.. 43
..         ATOM    C       CD      ARG     B       22      .       -15.675
..   15.167  -5.96   1.      31.23   2       2       342
.. 43
..         ATOM    N       NE      ARG     B       22      A       -15.739
..   16.404  -5.124  0.5     16.46   2       2       343
.. 43
..         ATOM    N       NE      ARG     B       22      B       -15.629
..   13.808  -5.271  0.5     17.69   2       2       344
.. 43
..         ATOM    C       CZ      ARG     B       22      A       -16.608
..   16.581  -4.143  0.5     39.57   2       2       345
.. 43
..         ATOM    C       CZ      ARG     B       22      B       -16.379
..   13.225  -4.283  0.5     33.09   2       2       346
.. 43
..         ATOM    N       NH1     ARG     B       22      A       -16.743
..   17.672  -3.416  0.5     20.14   2       2       347
.. 43
..         ATOM    N       NH1     ARG     B       22      B       -16.987
..   14.046  -3.392  0.5     51.5    2       2       348
.. 43
..         ATOM    N       NH2     ARG     B       22      A       -17.405
..   15.551  -3.871  0.5     35.4    2       2       349
.. 43
..         ATOM    N       NH2     ARG     B       22      B       -16.705
..   11.943  -4.184  0.5     19.59   2       2       350
.. 44
..         ATOM    N       N       GLY     B       23      .       -10.007
..   15.246  -6.287  1.      19.18   .       2       351
.. 44
..         ATOM    C       CA      GLY     B       23      .       -8.844
..   15.673  -5.491  1.      11.89   .       2       352
.. 44
..         ATOM    C       C       GLY     B       23      .       -9.339
..   15.932  -4.075  1.      12.83   .       2       353
.. 44
..         ATOM    O       O       GLY     B       23      .       -10.524
..   15.922  -3.626  1.      14.47   .       2       354
.. 45
..         ATOM    N       N       PHE     B       24      .       -8.343
..   16.165  -3.187  1.      12.54   .       2       355
.. 45
..         ATOM    C       CA      PHE     B       24      .       -8.584
..   16.432  -1.765  1.      10.08   .       2       356
.. 45
..         ATOM    C       C       PHE     B       24      .       -7.488
..   17.22   -1.123  1.      10.77   .       2       357
.. 45
..         ATOM    O       O       PHE     B       24      .       -6.411
..   17.409  -1.657  1.      10.93   .       2       358
.. 45
..         ATOM    C       CB      PHE     B       24      .       -8.754
..   15.111  -1.032  1.      3.8     .       2       359
.. 45
..         ATOM    C       CG      PHE     B       24      .       -7.638
..   14.114  -1.034  1.      5.98    .       2       360
.. 45
..         ATOM    C       CD1     PHE     B       24      .       -7.488
..   13.202  -2.069  1.      5.61    .       2       361
.. 45
..         ATOM    C       CD2     PHE     B       24      .       -6.667
..   14.205  -0.036  1.      8.93    .       2       362
.. 45
..         ATOM    C       CE1     PHE     B       24      .       -6.375
..   12.338  -2.106  1.      14.64   .       2       363
.. 45
..         ATOM    C       CE2     PHE     B       24      .       -5.573
..   13.387  0.027   1.      11.74   .       2       364
.. 45
..         ATOM    C       CZ      PHE     B       24      .       -5.457
..   12.47   -1.008  1.      9.78    .       2       365
.. 46
..         ATOM    N       N       PHE     B       25      .       -7.717
..   17.612  0.116   1.      14.2    1       2       366
.. 46
..         ATOM    C       CA      PHE     B       25      .       -6.813
..   18.302  1.052   1.      12.03   1       2       367
.. 46
..         ATOM    C       C       PHE     B       25      .       -6.569
..   17.356  2.221   1.      12.69   1       2       368
.. 46
..         ATOM    O       O       PHE     B       25      .       -7.485
..   16.788  2.757   1.      15.22   1       2       369
.. 46
..         ATOM    C       CB      PHE     B       25      .       -7.387
..   19.633  1.684   1.      17.25   1       2       370
.. 46
..         ATOM    C       CG      PHE     B       25      .       -7.105
..   20.689  0.637   1.      30.38   1       2       371
.. 46
..         ATOM    C       CD1     PHE     B       25      .       -7.842
..   20.802  -0.543  1.      61.2    1       2       372
.. 46
..         ATOM    C       CD2     PHE     B       25      .       -6.003
..   21.541  0.896   1.      56.9    1       2       373
.. 46
..         ATOM    C       CE1     PHE     B       25      .       -7.445
..   21.79   -1.461  1.      29.52   1       2       374
.. 46
..         ATOM    C       CE2     PHE     B       25      .       -5.648
..   22.564  -0.027  1.      40.31   1       2       375
.. 46
..         ATOM    C       CZ      PHE     B       25      .       -6.382
..   22.681  -1.235  1.      30.38   1       2       376
.. 47
..         ATOM    N       N       TYR     B       26      .       -5.345
..   17.202  2.583   1.      11.25   .       2       377
.. 47
..         ATOM    C       CA      TYR     B       26      .       -4.996
..   16.333  3.717   1.      10.42   .       2       378
.. 47
..         ATOM    C       C       TYR     B       26      .       -4.445
..   17.35   4.714   1.      15.08   .       2       379
.. 47
..         ATOM    O       O       TYR     B       26      .       -3.35
..   17.906  4.518   1.      14.52   .       2       380
.. 47
..         ATOM    C       CB      TYR     B       26      .       -3.949
..   15.288  3.319   1.      9.51    .       2       381
.. 47
..         ATOM    C       CG      TYR     B       26      .       -3.404
..   14.53   4.474   1.      12.61   .       2       382
.. 47
..         ATOM    C       CD1     TYR     B       26      .       -4.243
..   13.688  5.178   1.      20.5    .       2       383
.. 47
..         ATOM    C       CD2     TYR     B       26      .       -2.105
..   14.676  4.857   1.      13.88   .       2       384
.. 47
..         ATOM    C       CE1     TYR     B       26      .       -3.652
..   12.967  6.246   1.      16.38   .       2       385
.. 47
..         ATOM    C       CE2     TYR     B       26      .       -1.577
..   14.01   5.941   1.      10.97   .       2       386
.. 47
..         ATOM    C       CZ      TYR     B       26      .       -2.347
..   13.149  6.642   1.      11.71   .       2       387
.. 47
..         ATOM    O       OH      TYR     B       26      .       -1.853
..   12.447  7.734   1.      16.39   .       2       388
.. 48
..         ATOM    N       N       THR     B       27      .       -5.287
..   17.537  5.752   1.      15.47   .       2       389
.. 48
..         ATOM    C       CA      THR     B       27      .       -4.902
..   18.555  6.772   1.      20.05   .       2       390
.. 48
..         ATOM    C       C       THR     B       27      .       -4.834
..   18.053  8.25    1.      15.09   .       2       391
.. 48
..         ATOM    O       O       THR     B       27      .       -5.825
..   18.282  8.943   1.      22.56   .       2       392
.. 48
..         ATOM    C       CB      THR     B       27      .       -5.856
..   19.825  6.753   1.      26.34   .       2       393
.. 48
..         ATOM    O       OG1     THR     B       27      A       -7.228
..   19.328  6.558   0.5     39.91   .       2       394
.. 48
..         ATOM    O       OG1     THR     B       27      B       -5.691
..   20.478  5.511   0.5     29.43   .       2       395
.. 48
..         ATOM    C       CG2     THR     B       27      A       -5.505
..   20.781  5.606   0.5     34.53   .       2       396
.. 48
..         ATOM    C       CG2     THR     B       27      B       -5.413
..   20.85   7.858   0.5     34.13   .       2       397
.. 49
..         ATOM    N       N       PRO     B       28      .       -3.702
..   17.548  8.603   1.      18.26   .       2       398
.. 49
..         ATOM    C       CA      PRO     B       28      .       -3.494
..   17.055  9.954   1.      21.56   .       2       399
.. 49
..         ATOM    C       C       PRO     B       28      .       -3.306
..   18.22   10.892  1.      22.68   .       2       400
.. 49
..         ATOM    O       O       PRO     B       28      .       -3.072
..   19.33   10.484  1.      21.93   .       2       401
.. 49
..         ATOM    C       CB      PRO     B       28      .       -2.249
..   16.209  9.808   1.      21.6    .       2       402
.. 49
..         ATOM    C       CG      PRO     B       28      .       -1.544
..   16.617  8.595   1.      21.39   .       2       403
.. 49
..         ATOM    C       CD      PRO     B       28      .       -2.526
..   17.32   7.778   1.      14.32   .       2       404
.. 50
..         ATOM    N       N       LYS     B       29      .       -3.452
..   17.975  12.175  1.      26.27   .       2       405
.. 50
..         ATOM    C       CA      LYS     B       29      .       -3.227
..   18.941  13.307  1.      23.17   .       2       406
.. 50
..         ATOM    C       C       LYS     B       29      .       -1.707
..   18.995  13.459  1.      52.81   .       2       407
.. 50
..         ATOM    O       O       LYS     B       29      .       -1.026
..   17.919  13.406  1.      39.37   .       2       408
.. 50
..         ATOM    C       CB      LYS     B       29      .       -3.764
..   18.417  14.615  1.      22.26   .       2       409
.. 50
..         ATOM    C       CG      LYS     B       29      .       -3.99
..   19.385  15.801  1.      48.01   .       2       410
.. 50
..         ATOM    C       CD      LYS     B       29      .       -5.153
..   18.811  16.622  1.      37.36   .       2       411
.. 50
..         ATOM    C       CE      LYS     B       29      .       -5.067
..   18.493  18.087  1.      53.09   .       2       412
.. 50
..         ATOM    N       NZ      LYS     B       29      .       -4.208
..   19.418  18.841  1.      61.16   .       2       413
.. 51
..         ATOM    N       N       ALA     B       30      .       -1.166
..   20.052  13.779  1.      53.3    3       2       414
.. 51
..         ATOM    C       CA      ALA     B       30      .       0.148
..   20.539  13.902  1.      45.3    3       2       415
.. 51
..         ATOM    C       C       ALA     B       30      .       0.991
..   20.467  15.167  1.      50.3    3       2       416
.. 51
..         ATOM    O       O       ALA     B       30      .       0.427
..   20.71   16.268  1.      62.63   3       2       417
.. 51
..         ATOM    C       CB      ALA     B       30      .       0.033
..   22.113  13.69   1.      53.3    3       2       418
.. 51
..         ATOM    O       OXT     ALA     B       30      .       2.226
..   20.205  15.     1.      76.3    3       2       419
.. #51
.. # TER   .  .    ALA B   30  .    .       .       .      .     .    .    2    420
.. 1
..         ATOM    N       N       GLY     C       1       .       -0.643
..   19.956  -14.073 1.      26.16   1       1       421
.. 1
..         ATOM    C       CA      GLY     C       1       .       -0.389
..   20.033  -12.615 1.      30.96   1       1       422
.. 1
..         ATOM    C       C       GLY     C       1       .       0.447
..   18.825  -12.18  1.      33.76   1       1       423
.. 1
..         ATOM    O       O       GLY     C       1       .       1.216
..   18.311  -13.006 1.      21.35   1       1       424
.. 2
..         ATOM    N       N       ILE     C       2       .       0.244
..   18.434  -10.942 1.      23.96   1       1       425
.. 2
..         ATOM    C       CA      ILE     C       2       .       1.003
..   17.29   -10.393 1.      15.36   1       1       426
.. 2
..         ATOM    C       C       ILE     C       2       .       0.946
..   16.025  -11.185 1.      13.59   1       1       427
.. 2
..         ATOM    O       O       ILE     C       2       .       1.971
..   15.359  -11.278 1.      17.19   1       1       428
.. 2
..         ATOM    C       CB      ILE     C       2       .       0.491
..   17.013  -8.931  1.      16.47   1       1       429
.. 2
..         ATOM    C       CG1     ILE     C       2       .       1.539
..   16.143  -8.164  1.      15.91   1       1       430
.. 2
..         ATOM    C       CG2     ILE     C       2       .       -0.969
..   16.533  -8.863  1.      17.06   1       1       431
.. 2
..         ATOM    C       CD1     ILE     C       2       .       1.081
..   15.828  -6.72   1.      19.56   1       1       432
.. 3
..         ATOM    N       N       VAL     C       3       .       -0.179
..   15.655  -11.786 1.      13.55   1       1       433
.. 3
..         ATOM    C       CA      VAL     C       3       .       -0.278
..   14.455  -12.591 1.      17.58   1       1       434
.. 3
..         ATOM    C       C       VAL     C       3       .       0.59
..   14.454  -13.881 1.      21.18   1       1       435
.. 3
..         ATOM    O       O       VAL     C       3       .       1.245
..   13.451  -14.197 1.      19.26   1       1       436
.. 3
..         ATOM    C       CB      VAL     C       3       .       -1.709
..   14.136  -12.915 1.      26.49   1       1       437
.. 3
..         ATOM    C       CG1     VAL     C       3       .       -1.808
..   12.868  -13.745 1.      30.71   1       1       438
.. 3
..         ATOM    C       CG2     VAL     C       3       .       -2.567
..   13.989  -11.662 1.      16.85   1       1       439
.. 4
..         ATOM    N       N       GLU     C       4       .       0.621
..   15.59   -14.497 1.      24.23   1       1       440
.. 4
..         ATOM    C       CA      GLU     C       4       .       1.481
..   15.743  -15.686 1.      23.06   1       1       441
.. 4
..         ATOM    C       C       GLU     C       4       .       2.966
..   15.744  -15.343 1.      19.78   1       1       442
.. 4
..         ATOM    O       O       GLU     C       4       .       3.805
..   15.198  -16.061 1.      29.3    1       1       443
.. 4
..         ATOM    C       CB      GLU     C       4       .       1.063
..   17.059  -16.361 1.      24.43   1       1       444
.. 4
..         ATOM    C       CG      GLU     C       4       .       -0.349
..   16.9    -16.964 1.      19.87   1       1       445
.. 4
..         ATOM    C       CD      GLU     C       4       .       -1.541
..   17.024  -16.03  1.      27.93   1       1       446
.. 4
..         ATOM    O       OE1     GLU     C       4       .       -2.429
..   16.169  -16.211 1.      37.08   1       1       447
.. 4
..         ATOM    O       OE2     GLU     C       4       .       -1.527
..   17.967  -15.181 1.      27.92   1       1       448
.. 5
..         ATOM    N       N       GLN     C       5       .       3.289
..   16.386  -14.236 1.      17.9    1       1       449
.. 5
..         ATOM    C       CA      GLN     C       5       .       4.695
..   16.445  -13.8   1.      17.9    1       1       450
.. 5
..         ATOM    C       C       GLN     C       5       .       5.206
..   15.104  -13.307 1.      23.62   1       1       451
.. 5
..         ATOM    O       O       GLN     C       5       .       6.331
..   14.684  -13.578 1.      26.25   1       1       452
.. 5
..         ATOM    C       CB      GLN     C       5       .       4.82
..   17.553  -12.78  1.      22.64   1       1       453
.. 5
..         ATOM    C       CG      GLN     C       5       .       4.373
..   18.969  -13.199 1.      32.56   1       1       454
.. 5
..         ATOM    C       CD      GLN     C       5       .       5.405
..   19.755  -12.404 1.      59.85   1       1       455
.. 5
..         ATOM    O       OE1     GLN     C       5       .       6.478
..   19.979  -12.947 1.      50.22   1       1       456
.. 5
..         ATOM    N       NE2     GLN     C       5       .       4.976
..   19.94   -11.148 1.      56.46   1       1       457
.. 6
..         ATOM    N       N       CYS     C       6       .       4.386
..   14.408  -12.514 1.      20.45   .       1       458
.. 6
..         ATOM    C       CA      CYS     C       6       .       4.949
..   13.166  -11.921 1.      20.95   .       1       459
.. 6
..         ATOM    C       C       CYS     C       6       .       4.472
..   11.875  -12.436 1.      18.67   .       1       460
.. 6
..         ATOM    O       O       CYS     C       6       .       5.127
..   10.851  -12.293 1.      17.98   .       1       461
.. 6
..         ATOM    C       CB      CYS     C       6       .       4.732
..   13.264  -10.354 1.      16.76   .       1       462
.. 6
..         ATOM    S       SG      CYS     C       6       .       5.416
..   14.719  -9.509  1.      20.     .       1       463
.. 7
..         ATOM    N       N       CYS     C       7       .       3.347
..   11.802  -13.063 1.      15.93   .       1       464
.. 7
..         ATOM    C       CA      CYS     C       7       .       2.858
..   10.515  -13.612 1.      10.31   .       1       465
.. 7
..         ATOM    C       C       CYS     C       7       .       3.09
..   10.422  -15.112 1.      27.34   .       1       466
.. 7
..         ATOM    O       O       CYS     C       7       .       3.601
..   9.455   -15.603 1.      24.77   .       1       467
.. 7
..         ATOM    C       CB      CYS     C       7       .       1.348
..   10.332  -13.329 1.      17.6    .       1       468
.. 7
..         ATOM    S       SG      CYS     C       7       .       0.602
..   8.899   -13.976 1.      19.3    .       1       469
.. 8
..         ATOM    N       N       THR     C       8       .       2.691
..   11.395  -15.898 1.      22.31   .       1       470
.. 8
..         ATOM    C       CA      THR     C       8       .       2.912
..   11.356  -17.382 1.      20.22   .       1       471
.. 8
..         ATOM    C       C       THR     C       8       .       4.408
..   11.508  -17.641 1.      29.24   .       1       472
.. 8
..         ATOM    O       O       THR     C       8       .       5.051
..   10.716  -18.357 1.      25.27   .       1       473
.. 8
..         ATOM    C       CB      THR     C       8       .       1.993
..   12.487  -17.997 1.      28.76   .       1       474
.. 8
..         ATOM    O       OG1     THR     C       8       .       0.59
..   12.071  -17.868 1.      41.93   .       1       475
.. 8
..         ATOM    C       CG2     THR     C       8       .       2.536
..   12.795  -19.37  1.      39.1    .       1       476
.. 9
..         ATOM    N       N       SER     C       9       .       4.957
..   12.549  -16.969 1.      23.04   .       1       477
.. 9
..         ATOM    C       CA      SER     C       9       .       6.438
..   12.783  -17.031 1.      23.81   .       1       478
.. 9
..         ATOM    C       C       SER     C       9       .       7.038
..   12.104  -15.796 1.      22.97   .       1       479
.. 9
..         ATOM    O       O       SER     C       9       .       6.505
..   11.08   -15.351 1.      28.36   .       1       480
.. 9
..         ATOM    C       CB      SER     C       9       .       6.838
..   14.249  -17.258 1.      22.96   .       1       481
.. 9
..         ATOM    O       OG      SER     C       9       .       8.266
..   14.523  -17.319 1.      30.96   .       1       482
.. 10
..         ATOM    N       N       ILE     C       10      .       8.157
..   12.532  -15.274 1.      18.48   .       1       483
.. 10
..         ATOM    C       CA      ILE     C       10      .       8.82
..   12.068  -14.116 1.      14.18   .       1       484
.. 10
..         ATOM    C       C       ILE     C       10      .       9.162
..   13.268  -13.217 1.      22.06   .       1       485
.. 10
..         ATOM    O       O       ILE     C       10      .       9.398
..   14.336  -13.807 1.      21.37   .       1       486
.. 10
..         ATOM    C       CB      ILE     C       10      .       10.082
..   11.219  -14.296 1.      14.27   .       1       487
.. 10
..         ATOM    C       CG1     ILE     C       10      .       11.168
..   12.058  -14.941 1.      17.05   .       1       488
.. 10
..         ATOM    C       CG2     ILE     C       10      .       9.771
..   9.901   -15.075 1.      23.12   .       1       489
.. 10
..         ATOM    C       CD1     ILE     C       10      .       12.447
..   11.25   -15.181 1.      28.86   .       1       490
.. 11
..         ATOM    N       N       CYS     C       11      .       9.158
..   13.001  -11.897 1.      17.73   .       1       491
.. 11
..         ATOM    C       CA      CYS     C       11      .       9.488
..   14.178  -11.063 1.      13.63   .       1       492
.. 11
..         ATOM    C       C       CYS     C       11      .       10.301
..   13.733  -9.869  1.      24.12   .       1       493
.. 11
..         ATOM    O       O       CYS     C       11      .       10.238
..   12.518  -9.595  1.      27.63   .       1       494
.. 11
..         ATOM    C       CB      CYS     C       11      .       8.284
..   14.934  -10.501 1.      24.47   .       1       495
.. 11
..         ATOM    S       SG      CYS     C       11      .       7.324
..   13.971  -9.301  1.      22.6    .       1       496
.. 12
..         ATOM    N       N       SER     C       12      .       10.941
..   14.682  -9.241  1.      20.64   .       1       497
.. 12
..         ATOM    C       CA      SER     C       12      .       11.739
..   14.434  -8.095  1.      19.89   .       1       498
.. 12
..         ATOM    C       C       SER     C       12      .       10.978
..   14.612  -6.784  1.      26.49   .       1       499
.. 12
..         ATOM    O       O       SER     C       12      .       9.925
..   15.241  -6.843  1.      17.94   .       1       500
.. 12
..         ATOM    C       CB      SER     C       12      .       12.896
..   15.478  -7.911  1.      22.13   .       1       501
.. 12
..         ATOM    O       OG      SER     C       12      .       12.28
..   16.737  -7.889  1.      25.55   .       1       502
.. 13
..         ATOM    N       N       LEU     C       13      .       11.522
..   14.165  -5.654  1.      20.92   .       1       503
.. 13
..         ATOM    C       CA      LEU     C       13      .       10.827
..   14.392  -4.422  1.      18.59   .       1       504
.. 13
..         ATOM    C       C       LEU     C       13      .       10.811
..   15.86   -4.099  1.      17.62   .       1       505
.. 13
..         ATOM    O       O       LEU     C       13      .       9.865
..   16.311  -3.427  1.      17.56   .       1       506
.. 13
..         ATOM    C       CB      LEU     C       13      .       11.451
..   13.616  -3.261  1.      24.54   .       1       507
.. 13
..         ATOM    C       CG      LEU     C       13      .       11.62
..   12.137  -3.475  1.      37.6    .       1       508
.. 13
..         ATOM    C       CD1     LEU     C       13      .       12.386
..   11.586  -2.273  1.      42.94   .       1       509
.. 13
..         ATOM    C       CD2     LEU     C       13      .       10.209
..   11.562  -3.628  1.      33.13   .       1       510
.. 14
..         ATOM    N       N       TYR     C       14      .       11.756
..   16.642  -4.538  1.      19.39   .       1       511
.. 14
..         ATOM    C       CA      TYR     C       14      .       11.756
..   18.053  -4.253  1.      15.81   .       1       512
.. 14
..         ATOM    C       C       TYR     C       14      .       10.632
..   18.665  -4.977  1.      16.49   .       1       513
.. 14
..         ATOM    O       O       TYR     C       14      .       10.098
..   19.673  -4.517  1.      24.31   .       1       514
.. 14
..         ATOM    C       CB      TYR     C       14      .       13.061
..   18.792  -4.698  1.      23.42   .       1       515
.. 14
..         ATOM    C       CG      TYR     C       14      .       14.244
..   18.334  -3.884  1.      22.68   .       1       516
.. 14
..         ATOM    C       CD1     TYR     C       14      .       14.406
..   18.926  -2.643  1.      37.43   .       1       517
.. 14
..         ATOM    C       CD2     TYR     C       14      .       15.065
..   17.294  -4.321  1.      44.52   .       1       518
.. 14
..         ATOM    C       CE1     TYR     C       14      .       15.469
..   18.455  -1.806  1.      35.18   .       1       519
.. 14
..         ATOM    C       CE2     TYR     C       14      .       16.138
..   16.837  -3.558  1.      39.13   .       1       520
.. 14
..         ATOM    C       CZ      TYR     C       14      .       16.305
..   17.44   -2.304  1.      43.24   .       1       521
.. 14
..         ATOM    O       OH      TYR     C       14      .       17.325
..   17.067  -1.472  1.      40.09   .       1       522
.. 15
..         ATOM    N       N       GLN     C       15      .       10.286
..   18.189  -6.156  1.      16.44   .       1       523
.. 15
..         ATOM    C       CA      GLN     C       15      .       9.175
..   18.706  -6.908  1.      13.87   .       1       524
.. 15
..         ATOM    C       C       GLN     C       15      .       7.94
..   18.402  -6.108  1.      16.45   .       1       525
.. 15
..         ATOM    O       O       GLN     C       15      .       7.042
..   19.228  -6.047  1.      17.74   .       1       526
.. 15
..         ATOM    C       CB      GLN     C       15      .       9.021
..   18.202  -8.378  1.      19.83   .       1       527
.. 15
..         ATOM    C       CG      GLN     C       15      .       10.045
..   18.695  -9.368  1.      27.5    .       1       528
.. 15
..         ATOM    C       CD      GLN     C       15      .       10.002
..   18.165  -10.771 1.      46.46   .       1       529
.. 15
..         ATOM    O       OE1     GLN     C       15      .       10.459
..   17.057  -11.04  1.      43.32   .       1       530
.. 15
..         ATOM    N       NE2     GLN     C       15      .       9.456
..   18.889  -11.761 1.      35.38   .       1       531
.. 16
..         ATOM    N       N       LEU     C       16      .       7.841
..   17.245  -5.491  1.      18.47   .       1       532
.. 16
..         ATOM    C       CA      LEU     C       16      .       6.58
..   16.984  -4.783  1.      17.18   .       1       533
.. 16
..         ATOM    C       C       LEU     C       16      .       6.311
..   17.904  -3.587  1.      21.36   .       1       534
.. 16
..         ATOM    O       O       LEU     C       16      .       5.195
..   18.069  -3.079  1.      17.34   .       1       535
.. 16
..         ATOM    C       CB      LEU     C       16      .       6.542
..   15.527  -4.227  1.      17.15   .       1       536
.. 16
..         ATOM    C       CG      LEU     C       16      .       6.5
..   14.52   -5.341  1.      17.53   .       1       537
.. 16
..         ATOM    C       CD1     LEU     C       16      .       6.477
..   13.227  -4.593  1.      22.82   .       1       538
.. 16
..         ATOM    C       CD2     LEU     C       16      .       5.117
..   14.493  -5.991  1.      18.33   .       1       539
.. 17
..         ATOM    N       N       GLU     C       17      .       7.389
..   18.427  -3.04   1.      16.47   .       1       540
.. 17
..         ATOM    C       CA      GLU     C       17      .       7.353
..   19.319  -1.959  1.      10.93   .       1       541
.. 17
..         ATOM    C       C       GLU     C       17      .       6.614
..   20.601  -2.282  1.      11.2    .       1       542
.. 17
..         ATOM    O       O       GLU     C       17      .       6.183
..   21.31   -1.386  1.      13.69   .       1       543
.. 17
..         ATOM    C       CB      GLU     C       17      .       8.751
..   19.8    -1.584  1.      16.99   .       1       544
.. 17
..         ATOM    C       CG      GLU     C       17      .       9.178
..   18.98   -0.408  1.      22.69   .       1       545
.. 17
..         ATOM    C       CD      GLU     C       17      .       10.397
..   19.524  0.269   1.      26.38   .       1       546
.. 17
..         ATOM    O       OE1     GLU     C       17      .       11.27
..   20.013  -0.342  1.      26.42   .       1       547
.. 17
..         ATOM    O       OE2     GLU     C       17      .       10.358
..   19.291  1.47    1.      30.68   .       1       548
.. 18
..         ATOM    N       N       ASN     C       18      .       6.466
..   20.844  -3.575  1.      13.42   .       1       549
.. 18
..         ATOM    C       CA      ASN     C       18      .       5.707
..   22.01   -4.006  1.      12.91   .       1       550
.. 18
..         ATOM    C       C       ASN     C       18      .       4.238
..   21.879  -3.683  1.      14.96   .       1       551
.. 18
..         ATOM    O       O       ASN     C       18      .       3.506
..   22.887  -3.698  1.      17.72   .       1       552
.. 18
..         ATOM    C       CB      ASN     C       18      .       5.894
..   22.279  -5.506  1.      16.62   .       1       553
.. 18
..         ATOM    C       CG      ASN     C       18      .       7.286
..   22.755  -5.884  1.      20.64   .       1       554
.. 18
..         ATOM    O       OD1     ASN     C       18      .       7.761
..   22.375  -6.927  1.      28.41   .       1       555
.. 18
..         ATOM    N       ND2     ASN     C       18      .       7.836
..   23.54   -4.999  1.      26.53   .       1       556
.. 19
..         ATOM    N       N       TYR     C       19      .       3.683
..   20.717  -3.42   1.      10.42   .       1       557
.. 19
..         ATOM    C       CA      TYR     C       19      .       2.315
..   20.489  -3.11   1.      11.44   .       1       558
.. 19
..         ATOM    C       C       TYR     C       19      .       2.035
..   20.284  -1.641  1.      19.22   .       1       559
.. 19
..         ATOM    O       O       TYR     C       19      .       0.884
..   20.008  -1.33   1.      14.52   .       1       560
.. 19
..         ATOM    C       CB      TYR     C       19      .       1.745
..   19.342  -3.938  1.      13.89   .       1       561
.. 19
..         ATOM    C       CG      TYR     C       19      .       1.995
..   19.579  -5.394  1.      13.15   .       1       562
.. 19
..         ATOM    C       CD1     TYR     C       19      .       1.176
..   20.36   -6.185  1.      15.85   .       1       563
.. 19
..         ATOM    C       CD2     TYR     C       19      .       3.101
..   19.022  -6.004  1.      20.18   .       1       564
.. 19
..         ATOM    C       CE1     TYR     C       19      .       1.482
..   20.59   -7.526  1.      15.8    .       1       565
.. 19
..         ATOM    C       CE2     TYR     C       19      .       3.427
..   19.257  -7.342  1.      20.94   .       1       566
.. 19
..         ATOM    C       CZ      TYR     C       19      .       2.6
..   20.077  -8.111  1.      16.07   .       1       567
.. 19
..         ATOM    O       OH      TYR     C       19      .       2.93
..   20.198  -9.438  1.      28.2    .       1       568
.. 20
..         ATOM    N       N       CYS     C       20      .       2.997
..   20.523  -0.779  1.      15.85   .       1       569
.. 20
..         ATOM    C       CA      CYS     C       20      .       2.816
..   20.515  0.66    1.      12.75   .       1       570
.. 20
..         ATOM    C       C       CYS     C       20      .       2.167
..   21.848  1.08    1.      18.29   .       1       571
.. 20
..         ATOM    O       O       CYS     C       20      .       2.424
..   22.842  0.449   1.      26.63   .       1       572
.. 20
..         ATOM    C       CB      CYS     C       20      .       4.116
..   20.329  1.465   1.      12.02   .       1       573
.. 20
..         ATOM    S       SG      CYS     C       20      .       5.109
..   18.925  1.079   1.      13.7    .       1       574
.. 21
..         ATOM    N       N       ASN     C       21      .       1.396
..   21.899  2.168   1.      17.14   .       1       575
.. 21
..         ATOM    C       CA      ASN     C       21      .       0.814
..   23.152  2.677   1.      22.18   .       1       576
.. 21
..         ATOM    C       C       ASN     C       21      .       1.879
..   23.65   3.681   1.      31.46   .       1       577
.. 21
..         ATOM    O       O       ASN     C       21      .       2.937
..   22.991  3.836   1.      44.77   .       1       578
.. 21
..         ATOM    C       CB      ASN     C       21      .       -0.433
..   22.757  3.387   1.      21.67   .       1       579
.. 21
..         ATOM    C       CG      ASN     C       21      .       -1.636
..   22.166  2.742   1.      29.17   .       1       580
.. 21
..         ATOM    O       OD1     ASN     C       21      .       -2.062
..   22.468  1.647   1.      33.63   .       1       581
.. 21
..         ATOM    N       ND2     ASN     C       21      .       -2.242
..   21.277  3.591   1.      33.21   .       1       582
.. 21
..         ATOM    O       OXT     ASN     C       21      .       1.575
..   24.585  4.398   1.      52.38   .       1       583
.. #21
.. # TER   .  .    ASN C   21  .    .       .       .      .     .    .    1    584
.. 22
..         ATOM    N       N       PHE     D       1       .       18.33
..   11.816  -3.893  1.      61.5    .       2       585
.. 22
..         ATOM    C       CA      PHE     D       1       .       17.047
..   11.272  -4.371  1.      28.75   .       2       586
.. 22
..         ATOM    C       C       PHE     D       1       .       17.165
..   10.885  -5.854  1.      45.77   .       2       587
.. 22
..         ATOM    O       O       PHE     D       1       .       18.169
..   11.137  -6.55   1.      49.85   .       2       588
.. 22
..         ATOM    C       CB      PHE     D       1       .       15.801
..   12.158  -4.041  1.      30.01   .       2       589
.. 22
..         ATOM    C       CG      PHE     D       1       .       16.035
..   12.424  -2.571  1.      31.74   .       2       590
.. 22
..         ATOM    C       CD1     PHE     D       1       .       15.98
..   11.294  -1.745  1.      39.79   .       2       591
.. 22
..         ATOM    C       CD2     PHE     D       1       .       16.425
..   13.629  -2.07   1.      31.26   .       2       592
.. 22
..         ATOM    C       CE1     PHE     D       1       .       16.219
..   11.375  -0.405  1.      31.66   .       2       593
.. 22
..         ATOM    C       CE2     PHE     D       1       .       16.706
..   13.719  -0.715  1.      53.74   .       2       594
.. 22
..         ATOM    C       CZ      PHE     D       1       .       16.609
..   12.612  0.115   1.      37.15   .       2       595
.. 23
..         ATOM    N       N       VAL     D       2       .       16.117
..   10.168  -6.274  1.      33.71   .       2       596
.. 23
..         ATOM    C       CA      VAL     D       2       .       16.006
..   9.666   -7.682  1.      24.16   .       2       597
.. 23
..         ATOM    C       C       VAL     D       2       .       14.648
..   10.218  -8.239  1.      33.79   .       2       598
.. 23
..         ATOM    O       O       VAL     D       2       .       13.733
..   10.588  -7.495  1.      22.26   .       2       599
.. 23
..         ATOM    C       CB      VAL     D       2       .       16.128
..   8.144   -7.911  1.      27.8    .       2       600
.. 23
..         ATOM    C       CG1     VAL     D       2       .       17.529
..   7.562   -7.875  1.      85.81   .       2       601
.. 23
..         ATOM    C       CG2     VAL     D       2       .       15.239
..   7.326   -6.976  1.      36.43   .       2       602
.. 24
..         ATOM    N       N       ASN     D       3       .       14.564
..   10.315  -9.558  1.      19.91   .       2       603
.. 24
..         ATOM    C       CA      ASN     D       3       .       13.383
..   10.694  -10.332 1.      33.51   .       2       604
.. 24
..         ATOM    C       C       ASN     D       3       .       12.449
..   9.525   -10.618 1.      27.19   .       2       605
.. 24
..         ATOM    O       O       ASN     D       3       .       12.946
..   8.479   -11.058 1.      35.28   .       2       606
.. 24
..         ATOM    C       CB      ASN     D       3       .       13.966
..   11.427  -11.571 1.      28.03   .       2       607
.. 24
..         ATOM    C       CG      ASN     D       3       .       14.214
..   12.869  -11.102 1.      36.72   .       2       608
.. 24
..         ATOM    O       OD1     ASN     D       3       .       14.425
..   13.813  -11.829 1.      71.83   .       2       609
.. 24
..         ATOM    N       ND2     ASN     D       3       .       14.114
..   13.118  -9.791  1.      69.95   .       2       610
.. 25
..         ATOM    N       N       GLN     D       4       .       11.128
..   9.652   -10.488 1.      38.71   .       2       611
.. 25
..         ATOM    C       CA      GLN     D       4       .       10.224
..   8.523   -10.782 1.      30.37   .       2       612
.. 25
..         ATOM    C       C       GLN     D       4       .       8.833
..   8.864   -11.345 1.      13.92   .       2       613
.. 25
..         ATOM    O       O       GLN     D       4       .       8.361
..   10.028  -11.197 1.      25.56   .       2       614
.. 25
..         ATOM    C       CB      GLN     D       4       .       9.983
..   7.921   -9.378  1.      38.84   .       2       615
.. 25
..         ATOM    C       CG      GLN     D       4       .       10.35
..   6.429   -9.194  1.      40.71   .       2       616
.. 25
..         ATOM    C       CD      GLN     D       4       .       10.515
..   6.248   -7.678  1.      31.29   .       2       617
.. 25
..         ATOM    O       OE1     GLN     D       4       .       10.49
..   5.138   -7.268  1.      47.62   .       2       618
.. 25
..         ATOM    N       NE2     GLN     D       4       .       10.697
..   7.383   -6.997  1.      30.17   .       2       619
.. 26
..         ATOM    N       N       HIS     D       5       .       8.291
..   7.803   -12.    1.      13.87   1       2       620
.. 26
..         ATOM    C       CA      HIS     D       5       .       6.903
..   7.919   -12.482 1.      16.22   1       2       621
.. 26
..         ATOM    C       C       HIS     D       5       .       6.029
..   7.528   -11.252 1.      16.61   1       2       622
.. 26
..         ATOM    O       O       HIS     D       5       .       6.115
..   6.355   -10.822 1.      21.77   1       2       623
.. 26
..         ATOM    C       CB      HIS     D       5       .       6.427
..   7.086   -13.663 1.      24.93   1       2       624
.. 26
..         ATOM    C       CG      HIS     D       5       .       6.855
..   7.45    -15.054 1.      32.91   1       2       625
.. 26
..         ATOM    N       ND1     HIS     D       5       .       6.285
..   8.338   -15.876 1.      31.86   1       2       626
.. 26
..         ATOM    C       CD2     HIS     D       5       .       7.867
..   6.966   -15.822 1.      31.55   1       2       627
.. 26
..         ATOM    C       CE1     HIS     D       5       .       6.866
..   8.458   -17.068 1.      28.5    1       2       628
.. 26
..         ATOM    N       NE2     HIS     D       5       .       7.838
..   7.587   -17.015 1.      18.29   1       2       629
.. 27
..         ATOM    N       N       LEU     D       6       .       5.259
..   8.452   -10.792 1.      11.23   .       2       630
.. 27
..         ATOM    C       CA      LEU     D       6       .       4.302
..   8.232   -9.639  1.      22.97   .       2       631
.. 27
..         ATOM    C       C       LEU     D       6       .       2.854
..   8.566   -10.048 1.      11.62   .       2       632
.. 27
..         ATOM    O       O       LEU     D       6       .       2.505
..   9.705   -10.335 1.      14.32   .       2       633
.. 27
..         ATOM    C       CB      LEU     D       6       .       4.815
..   9.069   -8.489  1.      16.96   .       2       634
.. 27
..         ATOM    C       CG      LEU     D       6       .       6.253
..   8.828   -7.985  1.      18.92   .       2       635
.. 27
..         ATOM    C       CD1     LEU     D       6       .       6.828
..   10.     -7.271  1.      17.11   .       2       636
.. 27
..         ATOM    C       CD2     LEU     D       6       .       6.091
..   7.594   -7.091  1.      18.4    .       2       637
.. 28
..         ATOM    N       N       CYS     D       7       .       2.119
..   7.495   -10.108 1.      13.7    .       2       638
.. 28
..         ATOM    C       CA      CYS     D       7       .       0.745
..   7.57    -10.582 1.      18.64   .       2       639
.. 28
..         ATOM    C       C       CYS     D       7       .       -0.288
..   7.058   -9.564  1.      17.9    .       2       640
.. 28
..         ATOM    O       O       CYS     D       7       .       0.016
..   6.138   -8.853  1.      18.63   .       2       641
.. 28
..         ATOM    C       CB      CYS     D       7       .       0.607
..   6.723   -11.869 1.      31.44   .       2       642
.. 28
..         ATOM    S       SG      CYS     D       7       .       1.635
..   7.35    -13.232 1.      20.     .       2       643
.. 29
..         ATOM    N       N       GLY     D       8       .       -1.44
..   7.618   -9.644  1.      19.94   .       2       644
.. 29
..         ATOM    C       CA      GLY     D       8       .       -2.58
..   7.155   -8.776  1.      18.12   .       2       645
.. 29
..         ATOM    C       C       GLY     D       8       .       -2.305
..   7.237   -7.329  1.      8.63    .       2       646
.. 29
..         ATOM    O       O       GLY     D       8       .       -1.914
..   8.246   -6.763  1.      13.74   .       2       647
.. 30
..         ATOM    N       N       SER     D       9       .       -2.656
..   6.101   -6.694  1.      11.65   .       2       648
.. 30
..         ATOM    C       CA      SER     D       9       .       -2.483
..   5.997   -5.227  1.      12.39   .       2       649
.. 30
..         ATOM    C       C       SER     D       9       .       -1.032
..   6.12    -4.867  1.      8.86    .       2       650
.. 30
..         ATOM    O       O       SER     D       9       .       -0.76
..   6.584   -3.762  1.      9.84    .       2       651
.. 30
..         ATOM    C       CB      SER     D       9       .       -3.264
..   4.87    -4.568  1.      14.54   .       2       652
.. 30
..         ATOM    O       OG      SER     D       9       .       -2.756
..   3.67    -5.015  1.      21.4    .       2       653
.. 31
..         ATOM    N       N       HIS     D       10      .       -0.166
..   5.698   -5.8    1.      8.91    .       2       654
.. 31
..         ATOM    C       CA      HIS     D       10      .       1.27
..   5.805   -5.452  1.      9.09    .       2       655
.. 31
..         ATOM    C       C       HIS     D       10      .       1.755
..   7.227   -5.317  1.      7.69    .       2       656
.. 31
..         ATOM    O       O       HIS     D       10      .       2.658
..   7.481   -4.533  1.      11.42   .       2       657
.. 31
..         ATOM    C       CB      HIS     D       10      .       2.092
..   5.048   -6.482  1.      8.95    .       2       658
.. 31
..         ATOM    C       CG      HIS     D       10      .       1.707
..   3.599   -6.615  1.      8.78    .       2       659
.. 31
..         ATOM    N       ND1     HIS     D       10      .       1.951
..   2.701   -5.608  1.      13.99   .       2       660
.. 31
..         ATOM    C       CD2     HIS     D       10      .       1.059
..   2.922   -7.561  1.      11.16   .       2       661
.. 31
..         ATOM    C       CE1     HIS     D       10      .       1.536
..   1.53    -6.025  1.      8.79    .       2       662
.. 31
..         ATOM    N       NE2     HIS     D       10      .       0.948
..   1.628   -7.159  1.      11.6    .       2       663
.. 32
..         ATOM    N       N       LEU     D       11      .       1.142
..   8.109   -6.07   1.      9.45    .       2       664
.. 32
..         ATOM    C       CA      LEU     D       11      .       1.434
..   9.541   -6.053  1.      9.98    .       2       665
.. 32
..         ATOM    C       C       LEU     D       11      .       1.027
..   10.155  -4.729  1.      5.91    .       2       666
.. 32
..         ATOM    O       O       LEU     D       11      .       1.818
..   10.853  -4.084  1.      8.83    .       2       667
.. 32
..         ATOM    C       CB      LEU     D       11      .       0.815
..   10.196  -7.249  1.      10.51   .       2       668
.. 32
..         ATOM    C       CG      LEU     D       11      .       1.105
..   11.705  -7.294  1.      13.37   .       2       669
.. 32
..         ATOM    C       CD1     LEU     D       11      .       2.526
..   12.118  -7.27   1.      11.72   .       2       670
.. 32
..         ATOM    C       CD2     LEU     D       11      .       0.404
..   12.225  -8.564  1.      16.22   .       2       671
.. 33
..         ATOM    N       N       VAL     D       12      .       -0.188
..   9.816   -4.302  1.      6.52    .       2       672
.. 33
..         ATOM    C       CA      VAL     D       12      .       -0.534
..   10.395  -2.938  1.      6.95    .       2       673
.. 33
..         ATOM    C       C       VAL     D       12      .       0.207
..   9.758   -1.787  1.      5.55    .       2       674
.. 33
..         ATOM    O       O       VAL     D       12      .       0.467
..   10.475  -0.761  1.      8.6     .       2       675
.. 33
..         ATOM    C       CB      VAL     D       12      .       -2.065
..   10.355  -2.79   1.      14.07   .       2       676
.. 33
..         ATOM    C       CG1     VAL     D       12      .       -2.687
..   11.271  -3.899  1.      16.64   .       2       677
.. 33
..         ATOM    C       CG2     VAL     D       12      .       -2.636
..   9.01    -2.737  1.      14.03   .       2       678
.. 34
..         ATOM    N       N       GLU     D       13      .       0.681
..   8.537   -1.89   1.      8.61    .       2       679
.. 34
..         ATOM    C       CA      GLU     D       13      .       1.509
..   7.903   -0.866  1.      7.25    .       2       680
.. 34
..         ATOM    C       C       GLU     D       13      .       2.815
..   8.631   -0.804  1.      7.02    .       2       681
.. 34
..         ATOM    O       O       GLU     D       13      .       3.403
..   8.915   0.274   1.      11.89   .       2       682
.. 34
..         ATOM    C       CB      GLU     D       13      .       1.77
..   6.435   -1.051  1.      11.84   .       2       683
.. 34
..         ATOM    C       CG      GLU     D       13      .       0.458
..   5.634   -0.816  1.      27.71   .       2       684
.. 34
..         ATOM    C       CD      GLU     D       13      .       0.536
..   4.937   0.492   1.      62.15   .       2       685
.. 34
..         ATOM    O       OE1     GLU     D       13      .       1.499
..   5.094   1.172   1.      28.12   .       2       686
.. 34
..         ATOM    O       OE2     GLU     D       13      .       -0.429
..   4.258   0.726   1.      32.97   .       2       687
.. 35
..         ATOM    N       N       ALA     D       14      .       3.39
..   9.046   -1.888  1.      9.58    .       2       688
.. 35
..         ATOM    C       CA      ALA     D       14      .       4.643
..   9.836   -1.985  1.      10.     .       2       689
.. 35
..         ATOM    C       C       ALA     D       14      .       4.495
..   11.218  -1.377  1.      10.02   .       2       690
.. 35
..         ATOM    O       O       ALA     D       14      .       5.373
..   11.718  -0.675  1.      12.34   .       2       691
.. 35
..         ATOM    C       CB      ALA     D       14      .       5.151
..   9.884   -3.366  1.      9.23    .       2       692
.. 36
..         ATOM    N       N       LEU     D       15      .       3.34
..   11.836  -1.609  1.      8.93    .       2       693
.. 36
..         ATOM    C       CA      LEU     D       15      .       3.014
..   13.121  -1.053  1.      9.97    .       2       694
.. 36
..         ATOM    C       C       LEU     D       15      .       2.968
..   13.02   0.45    1.      16.23   .       2       695
.. 36
..         ATOM    O       O       LEU     D       15      .       3.462
..   13.914  1.142   1.      11.63   .       2       696
.. 36
..         ATOM    C       CB      LEU     D       15      .       1.719
..   13.654  -1.641  1.      9.29    .       2       697
.. 36
..         ATOM    C       CG      LEU     D       15      .       1.771
..   14.34   -2.979  1.      10.49   .       2       698
.. 36
..         ATOM    C       CD1     LEU     D       15      .       0.398
..   14.483  -3.556  1.      12.99   .       2       699
.. 36
..         ATOM    C       CD2     LEU     D       15      .       2.487
..   15.663  -2.804  1.      15.87   .       2       700
.. 37
..         ATOM    N       N       TYR     D       16      .       2.313
..   11.974  0.938   1.      11.9    .       2       701
.. 37
..         ATOM    C       CA      TYR     D       16      .       2.254
..   11.791  2.374   1.      8.84    .       2       702
.. 37
..         ATOM    C       C       TYR     D       16      .       3.662
..   11.71   3.013   1.      11.08   .       2       703
.. 37
..         ATOM    O       O       TYR     D       16      .       3.925
..   12.338  4.014   1.      10.74   .       2       704
.. 37
..         ATOM    C       CB      TYR     D       16      .       1.409
..   10.545  2.657   1.      8.68    .       2       705
.. 37
..         ATOM    C       CG      TYR     D       16      .       1.408
..   10.201  4.15    1.      9.93    .       2       706
.. 37
..         ATOM    C       CD1     TYR     D       16      .       0.611
..   10.879  5.091   1.      13.27   .       2       707
.. 37
..         ATOM    C       CD2     TYR     D       16      .       2.232
..   9.163   4.535   1.      10.34   .       2       708
.. 37
..         ATOM    C       CE1     TYR     D       16      .       0.657
..   10.554  6.429   1.      11.61   .       2       709
.. 37
..         ATOM    C       CE2     TYR     D       16      .       2.284
..   8.846   5.894   1.      17.86   .       2       710
.. 37
..         ATOM    C       CZ      TYR     D       16      .       1.518
..   9.554   6.843   1.      13.23   .       2       711
.. 37
..         ATOM    O       OH      TYR     D       16      .       1.664
..   9.081   8.177   1.      17.8    .       2       712
.. 38
..         ATOM    N       N       LEU     D       17      .       4.478
..   10.91   2.349   1.      9.51    .       2       713
.. 38
..         ATOM    C       CA      LEU     D       17      .       5.832
..   10.719  2.819   1.      8.94    .       2       714
.. 38
..         ATOM    C       C       LEU     D       17      .       6.672
..   11.993  2.879   1.      12.51   .       2       715
.. 38
..         ATOM    O       O       LEU     D       17      .       7.395
..   12.298  3.853   1.      13.68   .       2       716
.. 38
..         ATOM    C       CB      LEU     D       17      .       6.573
..   9.683   1.932   1.      12.01   .       2       717
.. 38
..         ATOM    C       CG      LEU     D       17      .       7.784
..   9.141   2.606   1.      26.75   .       2       718
.. 38
..         ATOM    C       CD1     LEU     D       17      .       7.274
..   8.084   3.613   1.      27.77   .       2       719
.. 38
..         ATOM    C       CD2     LEU     D       17      .       8.533
..   8.579   1.435   1.      36.25   .       2       720
.. 39
..         ATOM    N       N       VAL     D       18      .       6.585
..   12.773  1.784   1.      10.21   .       2       721
.. 39
..         ATOM    C       CA      VAL     D       18      .       7.348
..   14.029  1.661   1.      8.25    .       2       722
.. 39
..         ATOM    C       C       VAL     D       18      .       6.789
..   15.099  2.514   1.      8.01    .       2       723
.. 39
..         ATOM    O       O       VAL     D       18      .       7.56
..   15.914  3.063   1.      14.17   .       2       724
.. 39
..         ATOM    C       CB      VAL     D       18      .       7.357
..   14.409  0.176   1.      8.24    .       2       725
.. 39
..         ATOM    C       CG1     VAL     D       18      .       7.683
..   15.903  0.006   1.      18.17   .       2       726
.. 39
..         ATOM    C       CG2     VAL     D       18      .       8.321
..   13.582  -0.638  1.      16.22   .       2       727
.. 40
..         ATOM    N       N       CYS     D       19      .       5.469
..   15.224  2.565   1.      8.8     .       2       728
.. 40
..         ATOM    C       CA      CYS     D       19      .       4.79
..   16.327  3.282   1.      10.89   .       2       729
.. 40
..         ATOM    C       C       CYS     D       19      .       4.55
..   16.076  4.76    1.      20.41   .       2       730
.. 40
..         ATOM    O       O       CYS     D       19      .       4.771
..   17.057  5.513   1.      17.13   .       2       731
.. 40
..         ATOM    C       CB      CYS     D       19      .       3.54
..   16.778  2.546   1.      11.71   .       2       732
.. 40
..         ATOM    S       SG      CYS     D       19      .       3.846
..   17.363  0.909   1.      11.3    .       2       733
.. 41
..         ATOM    N       N       GLY     D       20      .       4.108
..   14.86   5.076   1.      15.31   .       2       734
.. 41
..         ATOM    C       CA      GLY     D       20      .       3.841
..   14.553  6.475   1.      18.1    .       2       735
.. 41
..         ATOM    C       C       GLY     D       20      .       2.815
..   15.479  7.177   1.      19.19   .       2       736
.. 41
..         ATOM    O       O       GLY     D       20      .       1.669
..   15.721  6.77    1.      18.72   .       2       737
.. 42
..         ATOM    N       N       GLU     D       21      .       3.387
..   15.976  8.278   1.      20.01   .       2       738
.. 42
..         ATOM    C       CA      GLU     D       21      .       2.659
..   16.847  9.244   1.      23.69   .       2       739
.. 42
..         ATOM    C       C       GLU     D       21      .       2.237
..   18.138  8.636   1.      19.09   .       2       740
.. 42
..         ATOM    O       O       GLU     D       21      .       1.246
..   18.727  9.109   1.      24.03   .       2       741
.. 42
..         ATOM    C       CB      GLU     D       21      .       3.575
..   17.12   10.476  1.      22.76   .       2       742
.. 42
..         ATOM    C       CG      GLU     D       21      .       5.075
..   17.192  10.046  1.      53.97   .       2       743
.. 42
..         ATOM    C       CD      GLU     D       21      .       6.099
..   17.832  10.938  1.      78.86   .       2       744
.. 42
..         ATOM    O       OE1     GLU     D       21      .       5.775
..   18.563  11.863  1.      73.07   .       2       745
.. 42
..         ATOM    O       OE2     GLU     D       21      .       7.3
..   17.568  10.645  1.      72.74   .       2       746
.. 43
..         ATOM    N       N       ARG     D       22      .       2.952
..   18.555  7.566   1.      15.75   2       2       747
.. 43
..         ATOM    C       CA      ARG     D       22      .       2.552
..   19.835  6.996   1.      21.02   2       2       748
.. 43
..         ATOM    C       C       ARG     D       22      .       1.231
..   19.779  6.228   1.      30.79   2       2       749
.. 43
..         ATOM    O       O       ARG     D       22      .       0.558
..   20.74   5.955   1.      22.02   2       2       750
.. 43
..         ATOM    C       CB      ARG     D       22      .       3.613
..   20.247  5.973   1.      29.63   2       2       751
.. 43
..         ATOM    C       CG      ARG     D       22      .       5.024
..   20.325  6.45    1.      16.81   2       2       752
.. 43
..         ATOM    C       CD      ARG     D       22      .       5.952
..   20.706  5.309   1.      32.57   2       2       753
.. 43
..         ATOM    N       NE      ARG     D       22      A       5.584
..   21.912  4.554   0.5     23.88   2       2       754
.. 43
..         ATOM    N       NE      ARG     D       22      B       6.663
..   19.518  4.827   0.5     24.77   2       2       755
.. 43
..         ATOM    C       CZ      ARG     D       22      A       6.163
..   22.431  3.476   0.5     34.85   2       2       756
.. 43
..         ATOM    C       CZ      ARG     D       22      B       7.482
..   19.684  3.777   0.5     11.98   2       2       757
.. 43
..         ATOM    N       NH1     ARG     D       22      A       5.819
..   23.547  2.845   0.5     18.26   2       2       758
.. 43
..         ATOM    N       NH1     ARG     D       22      B       7.547
..   20.848  3.124   0.5     20.33   2       2       759
.. 43
..         ATOM    N       NH2     ARG     D       22      A       7.19
..   21.77   2.93    0.5     20.8    2       2       760
.. 43
..         ATOM    N       NH2     ARG     D       22      B       8.196
..   18.646  3.318   0.5     20.38   2       2       761
.. 44
..         ATOM    N       N       GLY     D       23      .       0.914
..   18.555  5.836   1.      17.93   .       2       762
.. 44
..         ATOM    C       CA      GLY     D       23      .       -0.237
..   18.302  4.993   1.      12.82   .       2       763
.. 44
..         ATOM    C       C       GLY     D       23      .       0.087
..   18.615  3.514   1.      11.1    .       2       764
.. 44
..         ATOM    O       O       GLY     D       23      .       1.137
..   19.102  3.198   1.      12.49   .       2       765
.. 45
..         ATOM    N       N       PHE     D       24      .       -0.903
..   18.29   2.672   1.      11.76   .       2       766
.. 45
..         ATOM    C       CA      PHE     D       24      .       -0.774
..   18.497  1.209   1.      10.21   .       2       767
.. 45
..         ATOM    C       C       PHE     D       24      .       -2.127
..   18.688  0.607   1.      9.65    .       2       768
.. 45
..         ATOM    O       O       PHE     D       24      .       -3.142
..   18.47   1.204   1.      12.03   .       2       769
.. 45
..         ATOM    C       CB      PHE     D       24      .       0.
..   17.4    0.578   1.      9.41    .       2       770
.. 45
..         ATOM    C       CG      PHE     D       24      .       -0.602
..   16.046  0.597   1.      9.89    .       2       771
.. 45
..         ATOM    C       CD1     PHE     D       24      .       -0.28
..   15.182  1.648   1.      12.55   .       2       772
.. 45
..         ATOM    C       CD2     PHE     D       24      .       -1.497
..   15.657  -0.387  1.      12.14   .       2       773
.. 45
..         ATOM    C       CE1     PHE     D       24      .       -0.863
..   13.901  1.714   1.      19.03   .       2       774
.. 45
..         ATOM    C       CE2     PHE     D       24      .       -2.049
..   14.388  -0.368  1.      12.53   .       2       775
.. 45
..         ATOM    C       CZ      PHE     D       24      .       -1.737
..   13.486  0.692   1.      14.23   .       2       776
.. 46
..         ATOM    N       N       PHE     D       25      .       -2.07
..   19.069  -0.693  1.      8.89    1       2       777
.. 46
..         ATOM    C       CA      PHE     D       25      .       -3.285
..   19.185  -1.469  1.      10.03   1       2       778
.. 46
..         ATOM    C       C       PHE     D       25      .       -3.021
..   18.326  -2.724  1.      9.84    1       2       779
.. 46
..         ATOM    O       O       PHE     D       25      .       -1.918
..   18.362  -3.216  1.      12.46   1       2       780
.. 46
..         ATOM    C       CB      PHE     D       25      .       -3.686
..   20.613  -1.925  1.      10.32   1       2       781
.. 46
..         ATOM    C       CG      PHE     D       25      .       -2.567
..   21.455  -2.479  1.      14.41   1       2       782
.. 46
..         ATOM    C       CD1     PHE     D       25      .       -2.435
..   21.546  -3.85   1.      20.47   1       2       783
.. 46
..         ATOM    C       CD2     PHE     D       25      .       -1.647
..   22.07   -1.651  1.      14.83   1       2       784
.. 46
..         ATOM    C       CE1     PHE     D       25      .       -1.47
..   22.321  -4.476  1.      13.89   1       2       785
.. 46
..         ATOM    C       CE2     PHE     D       25      .       -0.608
..   22.775  -2.271  1.      20.12   1       2       786
.. 46
..         ATOM    C       CZ      PHE     D       25      .       -0.558
..   22.88   -3.66   1.      13.72   1       2       787
.. 47
..         ATOM    N       N       TYR     D       26      .       -3.962
..   17.546  -3.192  1.      10.77   .       2       788
.. 47
..         ATOM    C       CA      TYR     D       26      .       -3.915
..   16.723  -4.366  1.      8.24    .       2       789
.. 47
..         ATOM    C       C       TYR     D       26      .       -5.013
..   17.222  -5.272  1.      11.68   .       2       790
.. 47
..         ATOM    O       O       TYR     D       26      .       -6.209
..   17.04   -5.011  1.      12.49   .       2       791
.. 47
..         ATOM    C       CB      TYR     D       26      .       -4.09
..   15.233  -4.01   1.      12.91   .       2       792
.. 47
..         ATOM    C       CG      TYR     D       26      .       -4.159
..   14.291  -5.196  1.      13.37   .       2       793
.. 47
..         ATOM    C       CD1     TYR     D       26      .       -5.379
..   13.599  -5.455  1.      12.94   .       2       794
.. 47
..         ATOM    C       CD2     TYR     D       26      .       -3.138
..   14.227  -6.11   1.      12.82   .       2       795
.. 47
..         ATOM    C       CE1     TYR     D       26      .       -5.491
..   12.77   -6.582  1.      18.45   .       2       796
.. 47
..         ATOM    C       CE2     TYR     D       26      .       -3.289
..   13.401  -7.216  1.      14.97   .       2       797
.. 47
..         ATOM    C       CZ      TYR     D       26      .       -4.39
..   12.679  -7.39   1.      16.87   .       2       798
.. 47
..         ATOM    O       OH      TYR     D       26      .       -4.411
..   11.849  -8.508  1.      19.99   .       2       799
.. 48
..         ATOM    N       N       THR     D       27      .       -4.639
..   17.933  -6.342  1.      10.07   .       2       800
.. 48
..         ATOM    C       CA      THR     D       27      .       -5.563
..   18.555  -7.264  1.      15.24   .       2       801
.. 48
..         ATOM    C       C       THR     D       27      .       -5.254
..   18.12   -8.704  1.      16.1    .       2       802
.. 48
..         ATOM    O       O       THR     D       27      .       -4.545
..   18.821  -9.404  1.      18.07   .       2       803
.. 48
..         ATOM    C       CB      THR     D       27      .       -5.536
..   20.114  -7.048  1.      16.4    .       2       804
.. 48
..         ATOM    O       OG1     THR     D       27      .       -4.178
..   20.585  -6.974  1.      19.93   .       2       805
.. 48
..         ATOM    C       CG2     THR     D       27      .       -6.181
..   20.408  -5.709  1.      16.74   .       2       806
.. 49
..         ATOM    N       N       PRO     D       28      .       -5.766
..   17.035  -9.149  1.      11.98   .       2       807
.. 49
..         ATOM    C       CA      PRO     D       28      .       -5.571
..   16.537  -10.477 1.      13.55   .       2       808
.. 49
..         ATOM    C       C       PRO     D       28      .       -6.105
..   17.452  -11.585 1.      21.64   .       2       809
.. 49
..         ATOM    O       O       PRO     D       28      .       -5.471
..   17.453  -12.635 1.      24.41   .       2       810
.. 49
..         ATOM    C       CB      PRO     D       28      .       -6.192
..   15.163  -10.479 1.      21.77   .       2       811
.. 49
..         ATOM    C       CG      PRO     D       28      .       -6.813
..   14.874  -9.135  1.      18.6    .       2       812
.. 49
..         ATOM    C       CD      PRO     D       28      .       -6.687
..   16.109  -8.343  1.      11.54   .       2       813
.. 50
..         ATOM    N       N       LYS     D       29      .       -7.103
..   18.249  -11.346 1.      18.85   2       2       814
.. 50
..         ATOM    C       CA      LYS     D       29      .       -7.647
..   19.148  -12.397 1.      21.86   2       2       815
.. 50
..         ATOM    C       C       LYS     D       29      .       -6.782
..   20.313  -12.719 1.      25.32   2       2       816
.. 50
..         ATOM    O       O       LYS     D       29      .       -6.944
..   20.988  -13.739 1.      28.67   2       2       817
.. 50
..         ATOM    C       CB      LYS     D       29      .       -9.02
..   19.689  -11.971 1.      37.73   2       2       818
.. 50
..         ATOM    C       CG      LYS     D       29      A       -10.118
..   18.678  -12.365 0.5     26.24   2       2       819
.. 50
..         ATOM    C       CG      LYS     D       29      B       -9.869
..   20.535  -12.933 0.5     51.6    2       2       820
.. 50
..         ATOM    C       CD      LYS     D       29      A       -11.261
..   18.659  -11.369 0.5     25.69   2       2       821
.. 50
..         ATOM    C       CD      LYS     D       29      B       -11.094
..   21.211  -12.318 0.5     26.73   2       2       822
.. 50
..         ATOM    C       CE      LYS     D       29      A       -12.315
..   17.615  -11.67  0.5     22.42   2       2       823
.. 50
..         ATOM    C       CE      LYS     D       29      B       -12.076
..   21.723  -13.345 0.5     41.26   2       2       824
.. 50
..         ATOM    N       NZ      LYS     D       29      A       -13.648
..   18.108  -11.182 0.5     39.07   2       2       825
.. 50
..         ATOM    N       NZ      LYS     D       29      B       -13.28
..   22.348  -12.731 0.5     38.89   2       2       826
.. 51
..         ATOM    N       N       ALA     D       30      .       -5.874
..   20.552  -11.809 1.      17.54   .       2       827
.. 51
..         ATOM    C       CA      ALA     D       30      .       -5.022
..   21.709  -11.876 1.      15.58   .       2       828
.. 51
..         ATOM    C       C       ALA     D       30      .       -3.942
..   21.534  -12.91  1.      35.26   .       2       829
.. 51
..         ATOM    O       O       ALA     D       30      .       -3.347
..   20.451  -13.025 1.      37.09   .       2       830
.. 51
..         ATOM    C       CB      ALA     D       30      .       -4.392
..   21.978  -10.527 1.      32.86   .       2       831
.. 51
..         ATOM    O       OXT     ALA     D       30      .       -3.822
..   22.597  -13.538 1.      43.22   .       2       832
.. #51
.. # TER   .  .    ALA D   30  .    .       .       .      .     .    .    2    833
.. .       HETA    ZN      ZN      ZN      .       1       .       -0.002
..   -0.004  7.891   0.33    10.4    .       5       834
.. .       HETA    ZN      ZN      ZN      .       2       .       0.
..   0.      -8.039  0.33    11.     .       5       835
.. .       HETA    O       O       HOH     .       18      .       1.208
..   0.917   -0.239  1.      44.11   .       6       836
.. .       HETA    O       O       HOH     .       19      .       26.674
..   0.029   0.118   1.      64.26   .       6       837
.. .       HETA    O       O       HOH     .       11      .       13.443
..   19.181  0.629   1.      37.18   .       6       838
.. .       HETA    O       O       HOH     .       12      .       8.897
..   22.662  0.833   0.5     72.59   .       6       839
.. .       HETA    O       O       HOH     .       13      .       5.43
..   4.632   0.353   0.5     68.27   .       6       840
.. .       HETA    O       O       HOH     .       14      .       -9.6
..   22.8    0.34    1.      86.3    .       6       841
.. .       HETA    O       O       HOH     .       21      .       -11.312
..   20.399  0.771   1.      76.27   .       6       842
.. .       HETA    O       O       HOH     .       22      .       10.779
..   23.846  1.4     0.5     44.66   .       6       843
.. .       HETA    O       O       HOH     .       15      .       14.91
..   22.149  0.107   1.      64.34   .       6       844
.. .       HETA    O       O       HOH     .       41      .       3.208
..   6.718   2.188   1.      44.14   .       6       845
.. .       HETA    O       O       HOH     .       42      .       15.228
..   18.988  2.773   1.      47.95   .       6       846
.. .       HETA    O       O       HOH     .       51      .       1.948
..   1.415   2.      1.      83.31   .       6       847
.. .       HETA    O       O       HOH     .       52      .       -12.203
..   23.328  2.558   0.5     53.25   .       6       848
.. .       HETA    O       O       HOH     .       61      .       3.289
..   3.437   2.898   1.      29.4    .       6       849
.. .       HETA    O       O       HOH     .       62      .       -0.463
..   3.085   2.99    1.      35.04   .       6       850
.. .       HETA    O       O       HOH     .       63      .       10.311
..   22.834  3.121   0.5     53.93   .       6       851
.. .       HETA    O       O       HOH     .       64      .       10.183
..   24.198  3.002   0.5     47.8    .       6       852
.. .       HETA    O       O       HOH     .       65      .       23.65
..   0.9     3.      1.      86.3    .       6       853
.. .       HETA    O       O       HOH     .       71      .       8.256
..   18.783  3.33    0.5     14.13   .       6       854
.. .       HETA    O       O       HOH     .       72      .       0.
..   0.      2.721   0.33    78.41   .       6       855
.. .       HETA    O       O       HOH     .       73      .       -5.5
..   23.3    3.2     1.      76.3    .       6       856
.. .       HETA    O       O       HOH     .       74      .       -10.414
..   20.888  3.177   1.      46.17   .       6       857
.. .       HETA    O       O       HOH     .       75      .       5.786
..   4.688   3.296   1.      79.24   .       6       858
.. .       HETA    O       O       HOH     .       76      .       12.041
..   23.097  3.478   0.5     31.09   .       6       859
.. .       HETA    O       O       HOH     .       101     .       -9.4
..   22.6    4.9     0.5     52.19   .       6       860
.. .       HETA    O       O       HOH     .       91      .       9.781
..   13.999  4.347   1.      38.     .       6       861
.. .       HETA    O       O       HOH     .       92      .       14.487
..   19.051  4.963   0.5     47.26   .       6       862
.. .       HETA    O       O       HOH     .       94      .       24.8
..   2.      4.68    1.      50.76   .       6       863
.. .       HETA    O       O       HOH     .       95      .       1.7
..   14.43   4.49    1.      60.7    .       6       864
.. .       HETA    O       O       HOH     .       111     .       -7.624
..   16.101  5.527   1.      25.99   .       6       865
.. .       HETA    O       O       HOH     .       113     .       4.071
..   5.888   5.145   1.      60.78   .       6       866
.. .       HETA    O       O       HOH     .       112     .       12.744
..   23.426  5.604   0.5     40.09   .       6       867
.. .       HETA    O       O       HOH     .       115     .       10.354
..   21.084  4.829   0.5     33.95   .       6       868
.. .       HETA    O       O       HOH     .       116     .       12.369
..   21.475  5.162   0.5     61.18   .       6       869
.. .       HETA    O       O       HOH     .       122     .       -9.1
..   20.6    6.1     0.5     60.     .       6       870
.. .       HETA    O       O       HOH     .       123     .       -8.768
..   19.973  5.675   0.5     51.16   .       6       871
.. .       HETA    O       O       HOH     .       131     .       13.1
..   13.724  6.029   1.      21.23   .       6       872
.. .       HETA    O       O       HOH     .       132     .       -7.991
..   22.59   6.582   0.5     57.2    .       6       873
.. .       HETA    O       O       HOH     .       133     .       -12.272
..   21.574  6.1     1.      55.48   .       6       874
.. .       HETA    O       O       HOH     .       141     .       -2.652
..   21.385  6.534   1.      64.51   .       6       875
.. .       HETA    O       O       HOH     .       142     .       25.212
..   3.031   6.89    1.      49.58   .       6       876
.. .       HETA    O       O       HOH     .       143     .       10.6
..   10.1    6.8     0.5     50.     .       6       877
.. .       HETA    O       O       HOH     .       146     .       11.191
..   23.508  6.621   0.5     37.26   .       6       878
.. .       HETA    O       O       HOH     .       151     .       14.528
..   16.192  7.07    1.      51.29   .       6       879
.. .       HETA    O       O       HOH     .       152     .       1.492
..   23.231  6.892   0.5     27.     .       6       880
.. .       HETA    O       O       HOH     .       155     .       14.502
..   18.882  6.98    0.5     59.76   .       6       881
.. .       HETA    O       O       HOH     .       156     .       -9.484
..   23.456  7.067   0.5     41.28   .       6       882
.. .       HETA    O       O       HOH     .       161     .       1.228
..   4.48    7.603   1.      34.42   .       6       883
.. .       HETA    O       O       HOH     .       162     .       0.172
..   22.959  7.609   0.5     29.31   .       6       884
.. .       HETA    O       O       HOH     .       164     .       10.079
..   20.626  8.067   0.52    33.28   .       6       885
.. .       HETA    O       O       HOH     .       144     .       8.276
..   22.353  6.634   0.5     71.16   .       6       886
.. .       HETA    O       O       HOH     .       145     .       11.2
..   20.2    6.48    0.5     43.34   .       6       887
.. .       HETA    O       O       HOH     .       147     .       9.467
..   21.709  6.55    0.5     60.52   .       6       888
.. .       HETA    O       O       HOH     .       165     .       12.911
..   19.857  7.882   0.5     41.83   .       6       889
.. .       HETA    O       O       HOH     .       166     .       5.794
..   10.58   7.551   0.5     18.82   .       6       890
.. .       HETA    O       O       HOH     .       171     .       -3.193
..   10.008  8.356   1.      20.33   .       6       891
.. .       HETA    O       O       HOH     .       172     .       3.54
..   5.186   7.514   1.      50.94   .       6       892
.. .       HETA    O       O       HOH     .       173     .       -2.6
..   23.1    8.1     0.5     37.93   .       6       893
.. .       HETA    O       O       HOH     .       174     .       24.906
..   0.4     8.4     1.      59.59   .       6       894
.. .       HETA    O       O       HOH     .       175     .       22.962
..   4.308   7.971   1.      75.46   .       6       895
.. .       HETA    O       O       HOH     .       181     .       3.162
..   12.35   8.534   1.      60.02   .       6       896
.. .       HETA    O       O       HOH     .       182     .       6.986
..   23.533  8.608   0.5     42.86   .       6       897
.. .       HETA    O       O       HOH     .       183     .       7.747
..   22.514  8.736   0.5     51.31   .       6       898
.. .       HETA    O       O       HOH     .       184     .       11.35
..   23.3    9.17    1.      50.61   .       6       899
.. .       HETA    O       O       HOH     .       185     .       13.64
..   22.5    8.4     1.      61.09   .       6       900
.. .       HETA    O       O       HOH     .       186     .       5.402
..   7.037   8.018   1.      76.3    .       6       901
.. .       HETA    O       O       HOH     .       191     .       -9.443
..   20.24   8.418   0.5     46.63   .       6       902
.. .       HETA    O       O       HOH     .       193     .       21.2
..   5.8     9.      1.      46.66   .       6       903
.. .       HETA    O       O       HOH     .       194     .       -0.559
..   20.337  9.227   0.5     31.04   .       6       904
.. .       HETA    O       O       HOH     .       201     .       -0.074
..   1.535   9.452   1.      25.97   .       6       905
.. .       HETA    O       O       HOH     .       202     .       18.617
..   13.6    9.207   1.      29.22   .       6       906
.. .       HETA    O       O       HOH     .       203     .       0.475
..   13.399  9.      1.      61.33   .       6       907
.. .       HETA    O       O       HOH     .       204     .       2.956
..   7.356   9.255   1.      37.48   .       6       908
.. .       HETA    O       O       HOH     .       205     .       11.907
..   19.705  9.066   0.5     35.59   .       6       909
.. .       HETA    O       O       HOH     .       206     .       16.094
..   16.073  9.932   1.      48.31   .       6       910
.. .       HETA    O       O       HOH     .       207     .       -8.473
..   18.398  9.204   0.5     34.1    .       6       911
.. .       HETA    O       O       HOH     .       208     .       13.482
..   17.84   9.054   1.      66.41   .       6       912
.. .       HETA    O       O       HOH     .       209     .       4.832
..   22.586  10.697  0.5     41.13   .       6       913
.. .       HETA    O       O       HOH     .       211     .       4.499
..   3.274   9.801   1.      21.36   .       6       914
.. .       HETA    O       O       HOH     .       212     .       9.9
..   19.4    10.176  1.      57.45   .       6       915
.. .       HETA    O       O       HOH     .       213     .       -9.814
..   18.858  10.172  0.5     36.4    .       6       916
.. .       HETA    O       O       HOH     .       214     .       8.3
..   21.9    9.77    0.5     62.82   .       6       917
.. .       HETA    O       O       HOH     .       215     .       5.531
..   14.046  9.251   1.      53.12   .       6       918
.. .       HETA    O       O       HOH     .       216     .       0.5
..   21.5    9.739   0.5     40.73   .       6       919
.. .       HETA    O       O       HOH     .       217     .       24.5
..   1.839   10.261  0.5     44.08   .       6       920
.. .       HETA    O       O       HOH     .       218     .       14.403
..   20.407  9.881   0.25    62.98   .       6       921
.. .       HETA    O       O       HOH     .       219     .       -9.503
..   22.8    10.02   0.5     40.98   .       6       922
.. .       HETA    O       O       HOH     .       221     .       -5.367
..   9.301   10.39   1.      29.29   .       6       923
.. .       HETA    O       O       HOH     .       222     .       5.099
..   10.014  10.625  1.      39.93   .       6       924
.. .       HETA    O       O       HOH     .       223     .       3.402
..   22.242  10.235  0.5     38.69   .       6       925
.. .       HETA    O       O       HOH     .       224     .       0.786
..   10.457  10.424  0.5     27.11   .       6       926
.. .       HETA    O       O       HOH     .       225     .       7.099
..   20.641  10.117  0.5     45.52   .       6       927
.. .       HETA    O       O       HOH     .       226     .       1.327
..   5.583   11.052  0.5     56.24   .       6       928
.. .       HETA    O       O       HOH     .       227     .       -11.769
..   21.611  10.65   0.5     56.71   .       6       929
.. .       HETA    O       O       HOH     .       228     .       -9.99
..   20.281  10.186  0.5     56.19   .       6       930
.. .       HETA    O       O       HOH     .       231     .       -7.077
..   17.022  11.114  1.      24.63   .       6       931
.. .       HETA    O       O       HOH     .       232     .       10.114
..   17.143  11.048  1.      38.47   .       6       932
.. .       HETA    O       O       HOH     .       233     .       13.122
..   21.921  10.724  0.5     29.51   .       6       933
.. .       HETA    O       O       HOH     .       234     .       -8.631
..   22.492  11.84   0.5     43.99   .       6       934
.. .       HETA    O       O       HOH     .       235     .       24.
..   4.4     11.2    1.      63.61   .       6       935
.. .       HETA    O       O       HOH     .       241     .       0.397
..   4.49    11.763  0.5     23.04   .       6       936
.. .       HETA    O       O       HOH     .       242     .       20.2
..   6.301   11.1    1.      62.49   .       6       937
.. .       HETA    O       O       HOH     .       243     .       -6.059
..   22.694  11.492  1.      61.96   .       6       938
.. .       HETA    O       O       HOH     .       244     .       2.4
..   0.7     11.139  1.      63.37   .       6       939
.. .       HETA    O       O       HOH     .       245     .       1.431
..   8.001   10.9    1.      61.63   .       6       940
.. .       HETA    O       O       HOH     .       246     .       0.589
..   13.731  11.296  0.5     60.2    .       6       941
.. .       HETA    O       O       HOH     .       247     .       -0.216
..   11.635  11.24   0.5     52.12   .       6       942
.. .       HETA    O       O       HOH     .       249     .       3.575
..   13.15   11.256  0.5     53.19   .       6       943
.. .       HETA    O       O       HOH     .       251     .       -0.023
..   -0.033  11.206  0.33    21.05   .       6       944
.. .       HETA    O       O       HOH     .       252     .       3.725
..   4.937   12.004  1.      60.07   .       6       945
.. .       HETA    O       O       HOH     .       253     .       9.246
..   23.287  11.503  1.      45.58   .       6       946
.. .       HETA    O       O       HOH     .       254     .       -5.435
..   20.514  11.63   1.      51.7    .       6       947
.. .       HETA    O       O       HOH     .       255     .       13.713
..   17.818  11.963  1.      66.3    .       6       948
.. .       HETA    O       O       HOH     .       256     .       16.125
..   12.139  12.24   1.      50.03   .       6       949
.. .       HETA    O       O       HOH     .       257     .       12.904
..   20.42   11.491  0.5     30.82   .       6       950
.. .       HETA    O       O       HOH     .       258     .       22.345
..   2.177   11.3    1.      53.69   .       6       951
.. .       HETA    O       O       HOH     .       261     .       -1.821
..   8.684   12.044  1.      36.04   .       6       952
.. .       HETA    O       O       HOH     .       262     .       2.938
..   2.622   12.785  1.      45.76   .       6       953
.. .       HETA    O       O       HOH     .       263     .       3.2
..   8.8     12.2    1.      58.95   .       6       954
.. .       HETA    O       O       HOH     .       271     .       6.25
..   11.753  12.889  1.      50.22   .       6       955
.. .       HETA    O       O       HOH     .       272     .       12.623
..   23.254  12.208  0.5     36.01   .       6       956
.. .       HETA    O       O       HOH     .       273     .       6.083
..   21.437  12.952  0.5     45.78   .       6       957
.. .       HETA    O       O       HOH     .       274     .       15.629
..   16.552  13.704  1.      54.02   .       6       958
.. .       HETA    O       O       HOH     .       275     .       4.207
..   21.4    12.867  0.5     42.63   .       6       959
.. .       HETA    O       O       HOH     .       276     .       1.4
..   10.     13.205  1.      62.38   .       6       960
.. .       HETA    O       O       HOH     .       281     .       -1.805
..   14.585  13.563  1.      36.72   .       6       961
.. .       HETA    O       O       HOH     .       282     .       10.681
..   15.953  13.46   1.      37.62   .       6       962
.. .       HETA    O       O       HOH     .       283     .       3.526
..   17.51   13.393  0.5     58.59   .       6       963
.. .       HETA    O       O       HOH     .       284     .       4.989
..   14.66   13.137  1.      52.11   .       6       964
.. .       HETA    O       O       HOH     .       285     .       -3.059
..   10.929  12.998  0.5     54.91   .       6       965
.. .       HETA    O       O       HOH     .       286     .       -8.655
..   24.051  2.      1.      56.4    .       6       966
.. .       HETA    O       O       HOH     .       287     .       17.589
..   14.886  12.994  0.5     46.92   .       6       967
.. .       HETA    O       O       HOH     .       288     .       -2.7
..   22.2    12.3    1.      69.61   .       6       968
.. .       HETA    O       O       HOH     .       289     .       -7.4
..   20.9    13.3    1.      82.49   .       6       969
.. .       HETA    O       O       HOH     .       291     .       7.84
..   13.593  13.24   1.      36.77   .       6       970
.. .       HETA    O       O       HOH     .       277     .       8.436
..   16.103  13.124  0.5     66.4    .       6       971
.. .       HETA    O       O       HOH     .       292     .       20.767
..   2.758   14.127  0.5     49.5    .       6       972
.. .       HETA    O       O       HOH     .       278     .       19.461
..   3.175   13.236  0.5     43.3    .       6       973
.. .       HETA    O       O       HOH     .       293     .       10.6
..   21.2    12.8    1.      65.41   .       6       974
.. .       HETA    O       O       HOH     .       294     .       17.091
..   12.037  14.424  1.      66.3    .       6       975
.. .       HETA    O       O       HOH     .       295     .       26.23
..   1.151   12.982  0.5     42.97   .       6       976
.. .       HETA    O       O       HOH     .       296     .       1.
..   16.7    13.2    1.      45.     .       6       977
.. .       HETA    O       O       HOH     .       297     .       -1.841
..   2.626   14.104  1.      47.47   .       6       978
.. .       HETA    O       O       HOH     .       298     .       8.2
..   19.886  13.338  1.      59.62   .       6       979
.. .       HETA    O       O       HOH     .       299     .       3.947
..   18.704  13.926  0.5     87.22   .       6       980
.. .       HETA    O       O       HOH     .       301     .       3.
..   8.25    14.5    1.      39.38   .       6       981
.. .       HETA    O       O       HOH     .       306     .       23.669
..   1.157   13.223  1.      49.56   .       6       982
.. .       HETA    O       O       HOH     .       307     .       6.706
..   17.656  14.2    1.      62.44   .       6       983
.. .       HETA    O       O       HOH     .       308     .       -10.436
..   21.8    14.703  1.      82.89   .       6       984
.. .       HETA    O       O       HOH     .       302     .       21.66
..   8.1     14.4    1.      78.85   .       6       985
.. .       HETA    O       O       HOH     .       303     .       16.002
..   14.165  14.204  0.5     36.21   .       6       986
.. .       HETA    O       O       HOH     .       311     .       18.624
..   9.971   14.472  1.      68.09   .       6       987
.. .       HETA    O       O       HOH     .       312     .       12.345
..   18.363  14.32   1.      61.52   .       6       988
.. .       HETA    O       O       HOH     .       314     .       15.375
..   13.331  15.234  0.5     38.87   .       6       989
.. .       HETA    O       O       HOH     .       315     .       8.9
..   16.074  15.111  0.5     56.02   .       6       990
.. .       HETA    O       O       HOH     .       316     .       -8.811
..   19.8    14.8    1.      84.33   .       6       991
.. .       HETA    O       O       HOH     .       319     .       9.8
..   20.5    15.     0.5     37.74   .       6       992
.. .       HETA    O       O       HOH     .       321     .       -0.629
..   5.214   14.504  1.      52.63   .       6       993
.. .       HETA    O       O       HOH     .       305     .       0.063
..   7.371   13.477  0.5     44.43   .       6       994
.. .       HETA    O       O       HOH     .       322     .       4.331
..   21.351  15.2    1.      48.37   .       6       995
.. .       HETA    O       O       HOH     .       324     .       20.471
..   6.314   15.326  0.5     42.47   .       6       996
.. .       HETA    O       O       HOH     .       325     .       15.956
..   10.347  15.577  1.      73.09   .       6       997
.. .       HETA    O       O       HOH     .       326     .       4.166
..   16.122  15.117  1.      64.59   .       6       998
.. .       HETA    O       O       HOH     .       331     .       -3.496
..   10.462  15.323  1.      41.57   .       6       999
.. .       HETA    O       O       HOH     .       333     .       22.179
..   1.588   16.322  1.      60.14   .       6       1000
.. .       HETA    O       O       HOH     .       334     .       7.227
..   21.575  16.034  1.      79.51   .       6       1001
.. .       HETA    O       O       HOH     .       335     .       24.987
..   3.024   15.     0.5     77.5    .       6       1002
.. .       HETA    O       O       HOH     .       341     .       0.
..   0.      15.94   0.33    48.19   .       6       1003
.. .       HETA    O       O       HOH     .       342     .       2.058
..   1.124   15.886  0.5     57.48   .       6       1004
.. .       HETA    O       O       HOH     .       343     .       -1.885
..   13.663  16.148  1.      61.43   .       6       1005
.. .       HETA    O       O       HOH     .       344     .       -3.119
..   22.865  15.776  1.      59.24   .       6       1006
.. .       HETA    O       O       HOH     .       345     .       19.2
..   4.      16.256  1.      52.18   .       6       1007
.. .       HETA    O       O       HOH     .       346     .       14.044
..   21.773  15.73   0.5     35.08   .       6       1008
.. .       HETA    O       O       HOH     .       347     .       1.9
..   3.4     16.729  1.      42.63   .       6       1009
.. .       HETA    O       O       HOH     .       349     .       14.4
..   17.8    15.886  0.5     52.96   .       6       1010
.. .       HETA    O       O       HOH     .       336     .       13.7
..   15.6    15.     1.      65.01   .       6       1011
.. .       HETA    O       O       HOH     .       351     .       2.1
..   6.2     15.8    1.      73.63   .       6       1012
.. .       HETA    O       O       HOH     .       352     .       13.105
..   18.675  16.692  0.5     57.75   .       6       1013
.. .       HETA    O       O       HOH     .       355     .       5.384
..   1.947   16.328  1.      52.83   .       6       1014
.. .       HETA    O       O       HOH     .       356     .       19.387
..   1.649   16.538  1.      38.74   .       6       1015
.. .       HETA    O       O       HOH     .       357     .       6.57
..   18.429  16.505  1.      50.65   .       6       1016
.. .       HETA    O       O       HOH     .       358     .       -11.76
..   21.1    16.7    0.5     40.14   .       6       1017
.. .       HETA    O       O       HOH     .       359     .       18.269
..   7.536   16.565  1.      60.44   .       6       1018
.. .       HETA    O       O       HOH     .       350     .       16.961
..   12.601  17.169  1.      81.43   .       6       1019
.. .       HETA    O       O       HOH     .       354     .       19.266
..   10.576  17.79   1.      63.02   .       6       1020
.. .       HETA    O       O       HOH     .       361     .       -2.564
..   5.638   17.137  1.      48.33   .       6       1021
.. .       HETA    O       O       HOH     .       362     .       -3.814
..   12.169  17.184  1.      40.38   .       6       1022
.. .       HETA    O       O       HOH     .       363     .       21.336
..   8.539   16.849  1.      46.39   .       6       1023
.. .       HETA    O       O       HOH     .       364     .       11.361
..   23.312  16.935  1.      56.56   .       6       1024
.. .       HETA    O       O       HOH     .       365     .       11.482
..   20.115  16.18   0.5     36.42   .       6       1025
.. .       HETA    O       O       HOH     .       366     .       10.431
..   19.608  16.704  0.5     61.59   .       6       1026
.. .       HETA    O       O       HOH     .       367     .       -0.459
..   10.1    16.8    1.      96.03   .       6       1027
.. .       HETA    O       O       HOH     .       368     .       -5.6
..   22.74   16.755  0.5     60.98   .       6       1028
.. .       HETA    O       O       HOH     .       369     .       22.701
..   4.882   16.533  0.5     59.04   .       6       1029
.. .       HETA    O       O       HOH     .       360     .       -0.559
..   7.125   16.712  1.      55.39   .       6       1030
.. .       HETA    O       O       HOH     .       370     .       22.349
..   3.895   16.628  0.5     44.55   .       6       1031
.. .       HETA    O       O       HOH     .       379     .       24.254
..   2.529   17.221  0.5     64.98   .       6       1032
.. .       HETA    O       O       HOH     .       371     .       -8.27
..   20.622  17.537  0.5     29.13   .       6       1033
.. .       HETA    O       O       HOH     .       376     .       -7.614
..   21.771  17.4    0.5     39.65   .       6       1034
.. .       HETA    O       O       HOH     .       372     .       17.313
..   15.074  17.581  1.      53.72   .       6       1035
.. .       HETA    O       O       HOH     .       374     .       -1.7
..   21.227  17.206  1.      50.32   .       6       1036
.. .       HETA    O       O       HOH     .       375     .       16.509
..   9.562   17.812  1.      54.16   .       6       1037
.. .       HETA    O       O       HOH     .       377     .       -7.8
..   16.3    17.668  1.      75.77   .       6       1038
.. .       HETA    O       O       HOH     .       381     .       4.677
..   20.377  17.882  1.      49.25   .       6       1039
.. .       HETA    O       O       HOH     .       382     .       17.535
..   3.747   17.792  1.      51.88   .       6       1040
.. .       HETA    O       O       HOH     .       383     .       -2.265
..   8.874   17.97   1.      48.81   .       6       1041
.. .       HETA    O       O       HOH     .       386     .       -8.894
..   18.338  17.943  1.      51.71   .       6       1042
.. .       HETA    O       O       HOH     .       387     .       0.5
..   3.      18.6    0.5     35.     .       6       1043
.. .       HETA    O       O       HOH     .       388     .       6.
..   4.1     17.8    1.      50.     .       6       1044
.. .       HETA    O       O       HOH     .       390     .       2.7
..   3.9     19.     0.5     40.     .       6       1045
.. .       HETA    O       O       HOH     .       391     .       2.992
..   5.257   18.4    0.5     40.     .       6       1046
.. .       HETA    O       O       HOH     .       389     .       22.32
..   6.616   18.376  1.      76.3    .       6       1047
.. .       HETA    O       O       HOH     .       378     .       14.3
..   15.147  17.4    0.5     41.41   .       6       1048
.. .       HETA    O       O       HOH     .       392     .       12.379
..   14.     18.485  1.      69.21   .       6       1049
.. .       HETA    O       O       HOH     .       394     .       26.585
..   1.034   18.302  1.      72.39   .       6       1050
.. .       HETA    O       O       HOH     .       395     .       15.048
..   0.586   18.649  0.5     27.91   .       6       1051
.. .       HETA    O       O       HOH     .       396     .       24.664
..   3.165   18.64   0.5     55.98   .       6       1052
.. .       HETA    O       O       HOH     .       397     .       16.
..   6.4     18.5    1.      75.03   .       6       1053
.. .       HETA    O       O       HOH     .       401     .       -4.837
..   15.671  19.009  1.      33.67   .       6       1054
.. .       HETA    O       O       HOH     .       402     .       -1.199
..   22.838  19.138  1.      36.1    .       6       1055
.. .       HETA    O       O       HOH     .       403     .       1.686
..   21.194  18.89   1.      36.62   .       6       1056
.. .       HETA    O       O       HOH     .       404     .       7.587
..   19.898  18.9    1.      74.1    .       6       1057
.. .       HETA    O       O       HOH     .       405     .       23.636
..   0.4     18.433  0.5     38.58   .       6       1058
.. .       HETA    O       O       HOH     .       407     .       7.2
..   0.      19.364  1.      80.     .       6       1059
.. .       HETA    O       O       HOH     .       408     .       12.325
..   20.187  18.584  1.      76.3    .       6       1060
.. .       HETA    O       O       HOH     .       409     .       8.868
..   21.918  18.717  1.      88.44   .       6       1061
.. .       HETA    O       O       HOH     .       411     .       -5.3
..   12.855  19.148  1.      51.     .       6       1062
.. .       HETA    O       O       HOH     .       412     .       4.
..   0.889   19.161  1.      56.19   .       6       1063
.. .       HETA    O       O       HOH     .       413     .       11.5
..   16.2    18.5    1.      54.59   .       6       1064
.. .       HETA    O       O       HOH     .       414     .       15.033
..   14.6    19.135  0.5     40.58   .       6       1065
.. .       HETA    O       O       HOH     .       415     .       16.7
..   11.3    19.5    0.5     53.18   .       6       1066
.. .       HETA    O       O       HOH     .       421     .       4.304
..   23.913  8.3     1.      56.36   .       6       1067
.. .       HETA    O       O       HOH     .       422     .       17.595
..   8.307   19.856  1.      43.95   .       6       1068
.. .       HETA    O       O       HOH     .       423     .       8.46
..   17.052  19.897  1.      58.87   .       6       1069
.. .       HETA    O       O       HOH     .       424     .       11.6
..   18.4    20.     1.      60.     .       6       1070
.. .       HETA    O       O       HOH     .       425     .       -9.409
..   23.116  19.633  1.      66.3    .       6       1071
.. .       HETA    O       O       HOH     .       428     .       7.2
..   3.      19.668  1.      79.22   .       6       1072
.. .       HETA    O       O       HOH     .       429     .       21.
..   4.      19.956  1.      59.41   .       6       1073
.. .       HETA    O       O       HOH     .       420     .       -0.8
..   4.8     19.7    1.      50.     .       6       1074
.. .       HETA    O       O       HOH     .       431     .       13.592
..   4.017   20.054  1.      43.2    .       6       1075
.. .       HETA    O       O       HOH     .       432     .       -0.4
..   2.6     20.     0.5     40.     .       6       1076
.. .       HETA    O       O       HOH     .       433     .       19.48
..   6.217   19.797  1.      62.99   .       6       1077
.. .       HETA    O       O       HOH     .       435     .       20.876
..   1.574   20.116  0.5     41.62   .       6       1078
.. .       HETA    O       O       HOH     .       437     .       18.87
..   3.203   20.295  1.      65.25   .       6       1079
.. .       HETA    O       O       HOH     .       438     .       22.043
..   8.448   20.602  0.5     38.02   .       6       1080
.. .       HETA    O       O       HOH     .       439     .       15.42
..   7.74    20.813  1.      61.77   .       6       1081
.. .       HETA    O       O       HOH     .       441     .       14.4
..   19.9    20.8    1.      46.45   .       6       1082
.. .       HETA    O       O       HOH     .       442     .       8.9
..   4.3     20.9    1.      66.62   .       6       1083
.. .       HETA    O       O       HOH     .       443     .       12.9
..   7.7     20.6    1.      50.81   .       6       1084
.. .       HETA    O       O       HOH     .       444     .       23.373
..   3.907   20.784  0.5     37.81   .       6       1085
.. .       HETA    O       O       HOH     .       445     .       22.6
..   5.2     21.     0.5     50.     .       6       1086
.. .       HETA    O       O       HOH     .       446     .       11.
..   20.3    21.1    0.5     50.     .       6       1087
.. .       HETA    O       O       HOH     .       447     .       3.848
..   22.05   20.436  1.      73.68   .       6       1088
.. .       HETA    O       O       HOH     .       448     .       15.9
..   13.4    20.5    0.5     37.02   .       6       1089
.. .       HETA    O       O       HOH     .       449     .       15.
..   15.9    20.409  0.5     51.72   .       6       1090
.. .       HETA    O       O       HOH     .       451     .       -5.648
..   12.11   21.371  1.      36.62   .       6       1091
.. .       HETA    O       O       HOH     .       453     .       -3.499
..   9.53    21.143  1.      58.4    .       6       1092
.. .       HETA    O       O       HOH     .       452     .       11.455
..   5.672   21.4    0.5     45.3    .       6       1093
.. .       HETA    O       O       HOH     .       455     .       19.3
..   11.2    21.251  1.      93.71   .       6       1094
.. .       HETA    O       O       HOH     .       456     .       12.867
..   15.311  21.383  1.
..                           104.59  .       6       1095
.. .       HETA    O       O       HOH     .       450     .       16.2
..   18.5    20.516  0.5     57.42   .       6       1096
.. .       HETA    O       O       HOH     .       459     .       17.9
..   14.2    21.4    0.5     54.11   .       6       1097
.. .       HETA    O       O       HOH     .       461     .       -2.438
..   17.554  21.488  1.      27.54   .       6       1098
.. .       HETA    O       O       HOH     .       462     .       2.426
..   2.789   21.667  0.5     37.21   .       6       1099
.. .       HETA    O       O       HOH     .       473     .       5.591
..   3.514   22.644  1.      66.58   .       6       1100
.. .       HETA    O       O       HOH     .       474     .       21.49
..   9.784   21.789  0.5     37.24   .       6       1101
.. .       HETA    O       O       HOH     .       475     .       22.459
..   7.099   21.906  0.5     54.11   .       6       1102
.. .       HETA    O       O       HOH     .       476     .       23.362
..   5.246   22.116  0.5     53.14   .       6       1103
.. .       HETA    O       O       HOH     .       477     .       10.026
..   5.995   22.154  0.5     36.85   .       6       1104
.. .       HETA    O       O       HOH     .       481     .       16.23
..   16.756  22.9    1.      51.6    .       6       1105
.. .       HETA    O       O       HOH     .       482     .       7.95
..   1.5     22.4    1.      74.32   .       6       1106
.. .       HETA    O       O       HOH     .       484     .       0.
..   0.      22.203  0.33    26.53   .       6       1107
.. .       HETA    O       O       HOH     .       485     .       6.
..   0.331   22.809  1.      81.99   .       6       1108
.. .       HETA    O       O       HOH     .       486     .       2.4
..   1.9     22.95   0.5     53.75   .       6       1109
.. .       HETA    O       O       HOH     .       487     .       16.826
..   9.36    22.915  1.      64.5    .       6       1110
.. .       HETA    O       O       HOH     .       488     .       10.028
..   0.6     22.667  1.      50.88   .       6       1111
.. .       HETA    O       O       HOH     .       491     .       1.801
..   22.097  22.791  1.      33.66   .       6       1112
.. .       HETA    O       O       HOH     .       492     .       -2.158
..   10.172  22.9    1.      34.73   .       6       1113
.. .       HETA    O       O       HOH     .       493     .       8.566
..   22.21   23.275  1.      52.52   .       6       1114
.. .       HETA    O       O       HOH     .       494     .       19.041
..   7.317   22.965  1.      45.49   .       6       1115
.. .       HETA    O       O       HOH     .       496     .       13.154
..   17.896  23.121  0.5     58.99   .       6       1116
.. .       HETA    O       O       HOH     .       497     .       25.12
..   2.792   23.67   1.      49.6    .       6       1117
.. .       HETA    O       O       HOH     .       498     .       0.848
..   2.63    23.3    0.5     51.96   .       6       1118
.. .       HETA    O       O       HOH     .       501     .       12.799
..   4.914   23.3    1.      45.19   .       6       1119
.. .       HETA    O       O       HOH     .       502     .       14.1
..   1.511   23.     1.      54.91   .       6       1120
.. .       HETA    O       O       HOH     .       503     .       18.
..   5.2     23.4    0.5     40.     .       6       1121
.. .       HETA    O       O       HOH     .       504     .       20.46
..   5.246   23.195  0.5     42.74   .       6       1122
.. .       HETA    O       O       HOH     .       505     .       18.5
..   13.238  23.926  0.5     60.34   .       6       1123
.. .       HETA    O       O       HOH     .       506     .       9.469
..   4.007   23.263  0.5     65.39   .       6       1124
.. .       HETA    O       O       HOH     .       511     .       3.33
..   4.805   23.757  1.      24.03   .       6       1125
.. .       HETA    O       O       HOH     .       512     .       -6.414
..   11.027  24.091  1.      36.4    .       6       1126
.. .       HETA    O       O       HOH     .       514     .       -1.798
..   3.543   24.064  1.      80.64   .       6       1127
.. .       HETA    O       O       HOH     .       513     .       1.468
..   0.225   24.184  1.      35.46   .       6       1128
.. .       HETA    O       O       HOH     .       515     .       -12.014
..   22.141  24.296  1.      66.63   .       6       1129
.. .       HETA    O       O       HOH     .       516     .       13.052
..   19.509  23.128  0.5     62.84   .       6       1130
.. .       HETA    O       O       HOH     .       517     .       -9.519
..   22.726  24.412  1.      71.89   .       6       1131
.. .       HETA    O       O       HOH     .       521     .       9.9
..   22.89   25.259  1.      65.26   .       6       1132
.. .       HETA    O       O       HOH     .       522     .       16.495
..   17.126  26.     1.      40.     .       6       1133
.. .       HETA    O       O       HOH     .       524     .       21.7
..   5.4     24.514  0.5     50.22   .       6       1134
.. .       HETA    O       O       HOH     .       525     .       6.642
..   20.679  24.898  1.      58.56   .       6       1135
.. .       HETA    O       O       HOH     .       526     .       20.692
..   8.311   24.457  0.5     48.03   .       6       1136
.. .       HETA    O       O       HOH     .       531     .       -1.763
..   20.077  25.007  1.      21.36   .       6       1137
.. .       HETA    O       O       HOH     .       532     .       -8.67
..   18.367  25.265  1.      27.41   .       6       1138
.. .       HETA    O       O       HOH     .       533     .       7.7
..   4.223   25.055  1.      33.74   .       6       1139
.. .       HETA    O       O       HOH     .       535     .       19.581
..   11.07   25.093  1.      65.09   .       6       1140
.. .       HETA    O       O       HOH     .       536     .       -2.718
..   10.3    25.15   1.      73.39   .       6       1141
.. .       HETA    O       O       HOH     .       537     .       22.45
..   8.7     25.159  0.5     48.15   .       6       1142
.. .       HETA    O       O       HOH     .       541     .       -1.293
..   22.963  25.513  1.      29.91   .       6       1143
.. .       HETA    O       O       HOH     .       542     .       12.21
..   21.699  25.848  0.5     44.27   .       6       1144
.. .       HETA    O       O       HOH     .       527     .       11.5
..   21.6    24.157  0.5     70.69   .       6       1145
.. .       HETA    O       O       HOH     .       544     .       25.803
..   0.095   26.6    1.      56.59   .       6       1146
.. .       HETA    O       O       HOH     .       545     .       23.392
..   1.295   25.732  1.      48.54   .       6       1147
.. .       HETA    O       O       HOH     .       546     .       12.194
..   3.114   25.     1.      76.3    .       6       1148
.. .       HETA    O       O       HOH     .       551     .       4.708
..   1.34    26.039  1.      30.59   .       6       1149
.. .       HETA    O       O       HOH     .       552     .       14.388
..   19.737  25.636  1.      64.76   .       6       1150
.. .       HETA    O       O       HOH     .       561     .       5.419
..   3.667   26.434  1.      31.12   .       6       1151
.. .       HETA    O       O       HOH     .       562     .       23.512
..   4.5     26.629  1.      66.3    .       6       1152
.. .       HETA    O       O       HOH     .       563     .       -10.096
..   20.4    26.037  1.      73.01   .       6       1153
.. .       HETA    O       O       HOH     .       571     .       -9.6
..   23.17   26.887  1.      62.82   .       6       1154
.. .       HETA    O       O       HOH     .       572     .       16.389
..   14.064  27.171  1.      74.53   .       6       1155
.. .       HETA    O       O       HOH     .       574     .       18.7
..   14.     26.532  1.      79.38   .       6       1156
.. .       HETA    O       O       HOH     .       582     .       10.926
..   10.684  26.94   1.      44.8    .       6       1157
.. .       HETA    O       O       HOH     .       583     .       12.5
..   21.8    27.254  0.5     47.63   .       6       1158
.. .       HETA    O       O       HOH     .       581     .       15.038
..   21.545  5.268   1.      55.92   .       6       1159
.. .       HETA    O       O       HOH     .       591     .       -1.739
..   18.453  27.705  1.      12.21   .       6       1160
.. .       HETA    O       O       HOH     .       592     .       27.
..   1.      28.3    1.      70.92   .       6       1161
.. .       HETA    O       O       HOH     .       593     .       20.879
..   8.934   27.397  0.5     49.09   .       6       1162
.. .       HETA    O       O       HOH     .       601     .       5.301
..   3.962   28.7    0.6     31.54   .       6       1163
.. .       HETA    O       O       HOH     .       602     .       13.794
..   13.317  28.059  1.      74.41   .       6       1164
.. .       HETA    O       O       HOH     .       603     .       6.578
..   4.37    28.779  0.4     28.91   .       6       1165
.. .       HETA    O       O       HOH     .       611     .       19.254
..   14.024  28.832  1.      55.11   .       6       1166
.. .       HETA    O       O       HOH     .       612     .       14.279
..   1.568   28.963  1.      65.08   .       6       1167
.. .       HETA    O       O       HOH     .       622     .       14.08
..   9.849   29.479  1.      27.58   .       6       1168
.. .       HETA    O       O       HOH     .       621     .       23.137
..   6.636   29.293  0.5     55.9    .       6       1169
.. .       HETA    O       O       HOH     .       641     .       18.586
..   7.949   30.401  0.5     17.96   .       6       1170
.. .       HETA    O       O       HOH     .       631     .       10.475
..   22.332  30.034  1.      41.35   .       6       1171
.. .       HETA    O       O       HOH     .       632     .       14.2
..   22.3    30.301  1.      67.11   .       6       1172
.. .       HETA    O       O       HOH     .       642     .       4.564
..   5.544   30.131  1.      37.24   .       6       1173
.. .       HETA    O       O       HOH     .       651     .       0.
..   0.      30.941  0.33    24.09   .       6       1174
.. .       HETA    O       O       HOH     .       652     .       3.559
..   3.107   30.844  1.      34.61   .       6       1175
.. .       HETA    O       O       HOH     .       653     .       -1.317
..   2.461   30.833  1.      27.74   .       6       1176
.. .       HETA    O       O       HOH     .       671     .       6.9
..   3.468   31.64   1.      38.6    .       6       1177
.. .       HETA    O       O       HOH     .       672     .       1.484
..   2.379   31.639  1.      81.34   .       6       1178
.. .       HETA    O       O       HOH     .       673     .       -11.7
..   22.918  32.1    1.      83.01   .       6       1179
.. .       HETA    O       O       HOH     .       674     .       12.2
..   21.561  31.604  1.      55.36   .       6       1180
.. .       HETA    O       O       HOH     .       691     .       25.195
..   1.527   33.     1.      77.73   .       6       1181
.. .       HETA    O       O       HOH     .       701     .       11.09
..   22.753  33.2    1.      96.3    .       6       1182
.. .       HETA    O       O       HOH     .       702     .       3.296
..   3.651   33.2    1.      86.3    .       6       1183
.. .       HETA    O       O       HOH     .       711     .       24.237
..   4.743   33.829  1.      38.87   .       6       1184
.. .       HETA    O       O       HOH     .       721     .       6.358
..   23.611  -0.018  1.      94.84   .       6       1185
..
..
..
.. ####################
.. #                  #
.. # DATABASE_2       #
.. #                  #
.. ####################
..
..
.. _database_2.database_id PDB
.. _database_2.database_code       4INS
..
..
..
.. ####################
.. #                  #
.. # DATABASE_PDB_REV #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _database_PDB_rev.date_original
..     _database_PDB_rev.num
..     _database_PDB_rev.date
..     _database_PDB_rev.mod_type
..     _database_PDB_rev.status
..     _database_PDB_rev.replaced_by
..     _database_PDB_rev.replaces
.. 1989-07-10
..         3       1994-07-31
..                         3       .       .       .
.. 1989-07-10
..         2       1993-07-15
..                         1       .       .       .
.. 1989-07-10
..         1       1990-04-15
..                         0       .       .       1INS
..
..         loop_
..     _database_PDB_rev_record.rev_num
..     _database_PDB_rev_record.details
..     _database_PDB_rev_record.type
..         3               4INSB           HETATM
..         2               4INSA           HEADER
..
..
..
.. ####################
.. #                  #
.. # STRUCT_BIOL      #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _struct_biol.id
..     _struct_biol.details
..         4INS                    'HORMONE'
..         A                       .
..         B                       .
..         C                       .
..         D                       .
..
..         loop_
..     _struct_biol_gen.biol_id
..     _struct_biol_gen.asym_id
..     _struct_biol_gen.symmetry
..     _struct_biol_gen.details
.. 4INS            A               1_555           .
.. 4INS            B               1_555           .
.. 4INS            C               1_555           .
.. 4INS            D               1_555           .
.. 4INS            ZN              1_555           .
.. 4INS            HOH             1_555           .
.. A               A               1_555           .
.. B               B               1_555           .
.. C               C               1_555           .
.. D               D               1_555           .
..
..
..
.. ##############################
.. #                            #
.. # STRUCT_CONN_TYPE           #
.. #                            #
.. ##############################
..
..
..
..         loop_
..     _struct_conn_type.id
..     _struct_conn_type.criteria
..     _struct_conn_type.reference
..         .               'unknown bond type from PDB entry'
..                                         ?
..         saltbr          'salt bridge from PDB entry'
..                                         ?
..         hydrog          'hydrogen bond from PDB entry'
..                                         ?
..         disulf          'disulfide bridge from PDB entry'
..                                         ?
..
..
..
.. ##############################
.. #                            #
.. # STRUCT_CONN                #
.. #                            #
.. ##############################
..
..
..
..         loop_
..     _struct_conn.id
..     _struct_conn.conn_type_id
..     _struct_conn.ptnr1_label_comp_id
..     _struct_conn.ptnr1_label_asym_id
..     _struct_conn.ptnr1_auth_seq_id
..     _struct_conn.ptnr1_label_atom_id
..     _struct_conn.ptnr1_label_alt_id
..     _struct_conn.ptnr1_role
..     _struct_conn.ptnr1_symmetry
..     _struct_conn.ptnr2_label_comp_id
..     _struct_conn.ptnr2_label_asym_id
..     _struct_conn.ptnr2_auth_seq_id
..     _struct_conn.ptnr2_label_atom_id
..     _struct_conn.ptnr2_label_alt_id
..     _struct_conn.ptnr2_role
..     _struct_conn.ptnr2_symmetry
..     _struct_conn.ptnr1_atom_site_id     #< not in dictionary
..     _struct_conn.ptnr1_label_seq_id
..     _struct_conn.ptnr2_atom_site_id     #< not in dictionary
..     _struct_conn.ptnr2_label_seq_id
.. 1       .       CYS     A       6       CB      .       .       .
..   CYS     A       6       SG      .       .       .
..                                                           42
..     6       43      6
.. 2       disulf  CYS     A       6       SG      .       .       .
..   CYS     A       11      SG      .       .       .
..                                                           43
..     6       76      11
.. 3       .       CYS     A       7       CB      .       .       .
..   CYS     A       7       SG      .       .       .
..                                                           48
..     7       49      7
.. 4       disulf  CYS     A       7       SG      .       .       .
..   CYS     B       7       SG      .       .       .
..                                                           49
..     7       227     28
.. 5       .       CYS     A       11      CB      .       .       .
..   CYS     A       11      SG      .       .       .
..                                                           75
..     11      76      11
.. 6       .       CYS     A       20      CB      .       .       .
..   CYS     A       20      SG      .       .       .
..                                                           153
..     20      154     20
.. 7       disulf  CYS     A       20      SG      .       .       .
..   CYS     B       19      SG      .       .       .
..                                                           154
..     20      318     40
.. 8       .       CYS     B       7       CB      .       .       .
..   CYS     B       7       SG      .       .       .
..                                                           226
..     28      227     28
.. 9       .       CYS     B       19      CB      .       .       .
..   CYS     B       19      SG      .       .       .
..                                                           317
..     40      318     40
.. 10      .       CYS     C       6       CB      .       .       .
..   CYS     C       6       SG      .       .       .
..                                                           462
..     6       463     6
.. 11      disulf  CYS     C       6       SG      .       .       .
..   CYS     C       11      SG      .       .       .
..                                                           463
..     6       496     11
.. 12      .       CYS     C       7       CB      .       .       .
..   CYS     C       7       SG      .       .       .
..                                                           468
..     7       469     7
.. 13      disulf  CYS     C       7       SG      .       .       .
..   CYS     D       7       SG      .       .       .
..                                                           469
..     7       643     28
.. 14      .       CYS     C       11      CB      .       .       .
..   CYS     C       11      SG      .       .       .
..                                                           495
..     11      496     11
.. 15      .       CYS     C       20      CB      .       .       .
..   CYS     C       20      SG      .       .       .
..                                                           573
..     20      574     20
.. 16      disulf  CYS     C       20      SG      .       .       .
..   CYS     D       19      SG      .       .       .
..                                                           574
..     20      733     40
.. 17      .       CYS     D       7       CB      .       .       .
..   CYS     D       7       SG      .       .       .
..                                                           642
..     28      643     28
.. 18      .       CYS     D       19      CB      .       .       .
..   CYS     D       19      SG      .       .       .
..                                                           732
..     40      733     40
..
..
..
.. ####################
.. #                  #
.. # STRUCT_CONF      #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _struct_conf_type.id
..     _struct_conf_type.criteria
..     _struct_conf_type.reference
..         HELX_RH_AL_P    'From PDB'      .
..         HELX_RH_3T_P    'From PDB'      .
..         TURN_P          'From PDB'      .
..
..         loop_
..     _struct_conf.id
..     _struct_conf.conf_type_id
..     _struct_conf.beg_label_comp_id
..     _struct_conf.beg_label_asym_id
..     _struct_conf.beg_auth_seq_id
..     _struct_conf.end_label_comp_id
..     _struct_conf.end_label_asym_id
..     _struct_conf.end_auth_seq_id
..     _struct_conf.details
..     _struct_conf.beg_label_seq_id
..     _struct_conf.end_label_seq_id
.. helix_A11
..         HELX_RH_AL_P
..                 GLY     A       1       ILE     A       10
..                                                   'VAL 203 O H-BONDED TO HOH'
..   1       10
.. helix_A12
..         HELX_RH_3T_P
..                 SER     A       12      GLU     A       17
..                                               'CNTCTS MOSTLY GT 3A,NOT IDEAL'
..   12      17
.. helix_B11
..         HELX_RH_AL_P
..                 SER     B       9       GLY     B       20
..                                               'CYS 67 GLY 68, 3(10) CONTACTS'
..   30      41
.. helix_A21
..         HELX_RH_AL_P
..                 GLY     C       1       ILE     C       10
..                                               'NOT IDEAL ALPH,SOME PI CNTCTS'
..   1       10
.. helix_A22
..         HELX_RH_3T_P
..                 SER     C       12      GLU     C       17
..                                               'CNTCTS MOSTLY GT 3A,NOT IDEAL'
..   12      17
.. helix_B21
..         HELX_RH_AL_P
..                 SER     D       9       GLY     D       20
..                                               'CYS 67,GLY 68, 3(10) CONTACTS'
..   30      41
.. turn_1B1
..         TURN_P  CYS     B       19      ARG     B       22      ' '
..   40      43
.. turn_1B2
..         TURN_P  GLY     B       20      GLY     B       23      ' '
..   41      44
.. turn_2B1
..         TURN_P  CYS     D       19      ARG     D       22      ' '
..   40      43
.. turn_2B2
..         TURN_P  GLY     D       20      GLY     D       23      ' '
..   41      44
..
..
..
.. ####################
.. #                  #
.. # STRUCT_SITE      #
.. #                  #
.. ####################
..
..
..
..         loop_
..     _struct_site.id
..     _struct_site.details
..         D1                      ?
..         D2                      ?
..         H1                      ?
..         H2                      ?
..         SI1                     ?
..         SI2                     ?
..
..         loop_
..     _struct_site_gen.id
..     _struct_site_gen.site_id
..     _struct_site_gen.label_comp_id
..     _struct_site_gen.label_asym_id
..     _struct_site_gen.auth_seq_id
..     _struct_site_gen.label_seq_id
..     _struct_site_gen.label_alt_id
..     _struct_site_gen.symmetry
..     _struct_site_gen.details
.. 1       D1      VAL     B       12      33      .       1_555   .
.. 2       D1      TYR     B       16      37      .       1_555   .
.. 3       D1      PHE     B       24      45      .       1_555   .
.. 4       D1      PHE     B       25      46      .       1_555   .
.. 5       D1      TYR     B       26      47      .       1_555   .
.. 6       D2      VAL     D       12      33      .       1_555   .
.. 7       D2      TYR     D       16      37      .       1_555   .
.. 8       D2      PHE     D       24      45      .       1_555   .
.. 9       D2      PHE     D       25      46      .       1_555   .
.. 10      D2      TYR     D       26      47      .       1_555   .
.. 11      H1      LEU     A       13      13      .       1_555   .
.. 12      H1      TYR     A       14      14      .       1_555   .
.. 13      H1      PHE     B       1       22      .       1_555   .
.. 14      H1      GLU     B       13      34      .       1_555   .
.. 15      H1      ALA     B       14      35      .       1_555   .
.. 16      H1      LEU     B       17      38      .       1_555   .
.. 17      H1      VAL     B       18      39      .       1_555   .
.. 18      H2      LEU     C       13      13      .       1_555   .
.. 19      H2      TYR     C       14      14      .       1_555   .
.. 20      H2      PHE     D       1       22      .       1_555   .
.. 21      H2      GLU     D       13      34      .       1_555   .
.. 22      H2      ALA     D       14      35      .       1_555   .
.. 23      H2      LEU     D       17      38      .       1_555   .
.. 24      H2      VAL     D       18      39      .       1_555   .
.. 25      SI1     GLY     A       1       1       .       1_555   .
.. 26      SI1     GLU     A       4       4       .       1_555   .
.. 27      SI1     GLN     A       5       5       .       1_555   .
.. 28      SI1     CYS     A       7       7       .       1_555   .
.. 29      SI1     TYR     A       19      19      .       1_555   .
.. 30      SI1     ASN     A       21      21      .       1_555   .
.. 31      SI1     CYS     B       7       28      .       1_555   .
.. 32      SI2     GLY     C       1       1       .       1_555   .
.. 33      SI2     GLU     C       4       4       .       1_555   .
.. 34      SI2     GLN     C       5       5       .       1_555   .
.. 35      SI2     CYS     C       7       7       .       1_555   .
.. 36      SI2     TYR     C       19      19      .       1_555   .
.. 37      SI2     ASN     C       21      21      .       1_555   .
.. 38      SI2     CYS     D       7       28      .       1_555   .
..
..
..
.. ################
.. #              #
.. # STRUCT_SHEET #
.. #              #
.. ################
..
..         loop_
..     _struct_sheet.id
..     _struct_sheet.number_strands
..         B                       2
..
..         loop_
..     _struct_sheet_hbond.sheet_id
..     _struct_sheet_hbond.range_id_1
..     _struct_sheet_hbond.range_id_2
..     _struct_sheet_hbond.range_1_beg_auth_seq_id
..     _struct_sheet_hbond.range_1_beg_label_atom_id
..     _struct_sheet_hbond.range_2_beg_auth_seq_id
..     _struct_sheet_hbond.range_2_beg_label_atom_id
..     _struct_sheet_hbond.range_1_end_auth_seq_id
..     _struct_sheet_hbond.range_1_end_label_atom_id
..     _struct_sheet_hbond.range_2_end_auth_seq_id
..     _struct_sheet_hbond.range_2_end_label_atom_id
..     _struct_sheet_hbond.range_1_beg_label_seq_id
..     _struct_sheet_hbond.range_2_beg_label_seq_id
..     _struct_sheet_hbond.range_1_end_label_seq_id
..     _struct_sheet_hbond.range_2_end_label_seq_id
.. B       1_B     2_B     26      O       24      N       26      O
..   24      N
..                   47      45      47      45
..
..         loop_
..     _struct_sheet_order.sheet_id
..     _struct_sheet_order.range_id_1
..     _struct_sheet_order.range_id_2
..     _struct_sheet_order.offset
..     _struct_sheet_order.sense
.. B       1_B     2_B     1       anti-parallel
..
..         loop_
..     _struct_sheet_range.sheet_id
..     _struct_sheet_range.id
..     _struct_sheet_range.beg_label_comp_id
..     _struct_sheet_range.beg_label_asym_id
..     _struct_sheet_range.beg_auth_seq_id
..     _struct_sheet_range.end_label_comp_id
..     _struct_sheet_range.end_label_asym_id
..     _struct_sheet_range.end_auth_seq_id
..     _struct_sheet_range.beg_label_seq_id
..     _struct_sheet_range.end_label_seq_id
.. B       1_B     PHE     B       24      TYR     B       26
..                                                                 45
..   47
.. B       2_B     PHE     D       24      TYR     D       26
..                                                                 45
..   47
..
..
..
.. ########################
.. #                      #
.. # PUBL_MANUSCRIPT_INCL #
.. #                      #
.. ########################
..
..
..
..         loop_
..     _publ_manuscript_incl.entry_id
..     _publ_manuscript_incl.extra_item
..     _publ_manuscript_incl.extra_info
..     _publ_manuscript_incl.extra_defn
..
.. 4INS
..                 '_struct_conn.ptnr1_atom_site_id'
..                          '_atom_site.id of partner 1 of structure connection'
..                                                 no
..
.. 4INS
..                 '_struct_conn.ptnr2_atom_site_id'
..                          '_atom_site.id of partner 2 of structure connection'
..                                                 no
..
.. ###############################################
.. # This file was converted automatically from  #
.. # PDB format to mmCIF format by the program   #
.. # pdb2cif version 2.3.3           27 Jan 97   #
.. #                    by                       #
.. #   Phil Bourne, Herbert J. Bernstein and     #
.. #            Frances C. Bernstein             #
.. #                                             #
.. #                                             #
.. # Conversion from PDB format to mmCIF is a    #
.. # complex process.  This file should be       #
.. # reviewed carefully before use.              #
.. #                                             #
.. # Even though the authors of pdb2cif have     #
.. # made a good faith effort to ensure that     #
.. # pdb2cif performs according to its           #
.. # documentation, and we would greatly         #
.. # appreciate hearing of any problems you      #
.. # may encounter, the program pdb2cif and      #
.. # any files created by pdb2cif are provided   #
.. # **AS IS** without any warrantee as to       #
.. # correctness, merchantability or fitness     #
.. # for any particular or general use.          #
.. #                                             #
.. # THE RESPONSIBILITY FOR ANY ADVERSE          #
.. # CONSEQUENCES FROM THE USE OF THE PROGRAM    #
.. # PDB2CIF OR ANY FILE OR FILES CREATED BY     #
.. # LIES SOLELY WITH THE USERS OF THE PROGRAM   #
.. # AND FILE OR FILES AND NOT WITH AUTHORS OF   #
.. # PDB2CIF                                     #
.. #                                             #
.. # The program pdb2cif is available from       #
.. # http://ndbserver.rutgers.edu/software       #
.. #                                             #
.. # Please report problems to:                  #
.. #           yaya@bernstein-plus-sons.com      #
.. #                                             #
.. ###############################################
..
..
..
.. # REMARK records parsed 	=    167;# specified by PDB 	=    167
.. # FTNOTE records parsed 	=     11;# specified by PDB 	=     11
.. # HET records parsed 		=      2;# specified by PDB 	=      2
.. # HELIX records parsed 		=      6;# specified by PDB 	=      6
.. # SHEET records parsed 		=      2;# specified by PDB 	=      2
.. # TURN records parsed 		=      4;# specified by PDB 	=      4
.. # SITE records parsed 		=     12;# specified by PDB 	=     12
.. # AT+HET records parsed 	=   1181;# specified by PDB 	=   1181
.. # TER records parsed 		=      4;# specified by PDB 	=      4
.. # CONECT records parsed 	=     12;# specified by PDB 	=     12
.. # SEQRES records parsed 	=     10;# specified by PDB 	=     10
.. # Total of   1446 records processed from PDB file
.. # DATABASE_PDB_REMARK: Only text in columns 12-70 retained
.. # STRUCT_NCS_OPER:  Domain information needed
.. # PUBL_MANUSCRIPT_INCL: Tokens _struct_conn.ptnrn_atom_site_id used