mmCIF - Example - 2Zn Insulin - 4INS

Last Update Nov. 08, 1995
CIF Editor


###############################################
#                                             #
# Converted from PDB format to CIF format by  #
# pdb2cif version 1.0.9-alpha      2 Nov 95   #
# by Phil Bourne and Herbert J. Bernstein     #
# *************    WARNING   **************** #
# *                                         * #
# * THIS IS A TEST VERSION USE WITH CAUTION * #
# *                                         * #
# ******************************************* #
# Please report problems to yaya@aip.org      #
#                                             #
###############################################
#
#  Current major limitations:
#
#  When PDB entries have a blank chain identifier, the current version
#  of the code assigns "." for the corresponding _struct_asym.id.  This
#  is not a desirable choice.   Better approaches are under discussion.
#  Comments appreciated.
#
#  This version of pdb2cif will not run with all versions of awk, because
#  of the use of functions and a call to system.  When the code stabilizes,
#  versions for older awks will be made from this one.  Until then, if
#  you have trouble with /bin/awk, we would suggest using the gnu version
#  of awk, gawk.
#
###########################################################################
data_4INS

_chemical.name_common 
;    Insulin                                                     
; 
_chemical.compound_source 
;  Pig (Sus scrofa)                                            
; 




########################
#                      #
# AUDIT_CONTACT_AUTHOR #
#                      #
########################


_audit_contact_author.name  'G.G.Dodson'



####################
#                  #
# AUDIT_AUTHOR     #
#                  #
####################


loop_ 
_audit_author.name 
'E.J.Dodson'   
'D.C.Hodgkin'   
'N.W.Isaacs'   
'M.Vijayan'   

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_coden_ASTM
_citation.journal_coden_ISSN
_citation.journal_coden_PDB
_citation.book_title
_citation.book_publisher
_citation.book_coden_ISBN
_citation.details
 
  1       no
; The Structure Of 2zn Pig Insulin Crystals At 1.5   
  Angstroms Resolution                               
;
 UK 'PHILOS.TRANS.R.SOC.LONDON,  '  319  ?     369   1988 
'PTRBAE         ' '0080-4622                ' ? ? ? ? ?
 
  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                ' ? ? ? ? ?
 
  3       no
; Structural Relationships In The Two-zinc Insulin   
  Hexamer                                            
;
 CN 'CAN.J.BIOCHEM.              '   57  ?     469   1979 
'CJBIAE         ' '0008-4018                ' ? ? ? ? ?
 
  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                ' ? ? ? ? ?
 
  5       no
; Rhombohedral Insulin Crystal Transformation        
;
 UK 'J.MOL.BIOL.                 '  126  ?     871   1978 
'JMOBAK         ' '0022-2836                ' ? ? ? ? ?
 
  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                ' ? ? ? ? ?
 
  7       no
; Varieties Of Insulin                               
;
 UK 'J.ENDOCRINOL.               '   63  ?       1   1974 
'JOENAK         ' '0022-0795                ' ? ? ? ? ?
 
  8       no
; The Structure Of Insulin                           
;
 DK 'DAN.TIDSSKR.FARM.           '   46  ?       1   1972 
'DTFAAN         ' '0011-6513                ' ? ? ? ? ?
 
  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                ' ? ? ? ? ?
 
 10       no
; The Crystal Structure Of Rhombohedral 2 Zinc       
  Insulin                                            
;
 US 'COLD SPRING HARBOR SYMP.    '   36  ?     233   1972 
'CSHSAZ         ' '0091-7451                ' ? ? ? ? ?
 
 11       no
; Atomic Positions In Rhombohedral 2-Zinc Insulin   
  Crystals                                           
;
 UK 'NATURE                      '  231  ?     506   1971 
'NATUAS         ' '0028-0836                ' ? ? ? ? ?
 
 12       no
; X-Ray Analysis And The Structure Of Insulin       
;
 US 'RECENT PROG.HORM.RES.       '   27  ?       1   1971 
'RPHRA6         ' '0079-9963                ' ? ? ? ? ?
 
 13       no
; X-ray Diffraction Data On Some Crystalline         
  Varieties Of Insulin                               
;
 UK 'J.MOL.BIOL.                 '   54  ?     605   1970 
'JMOBAK         ' '0022-2836                ' ? ? ? ? ?
 
 14       no
; Structure Of Rhombohedral 2 Zinc Insulin Crystals  
;
 UK 'NATURE                      '  224  ?     491   1969 
'NATUAS         ' '0028-0836                ' ? ? ? ? ?
 
 15       no
 ?   ? ?   5 ?   187 1972 ? ? ?
   '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   'M.O.Dayhoff' 

loop_
_citation_author.citation_id
_citation_author.name
   1       'E.N.Baker' 
   1       'T.L.Blundell' 
   1       'J.F.Cutfield' 
   1       'S.M.Cutfield' 
   1       'E.J.Dodson' 
   1       'G.G.Dodson' 
   1       'D.M.Crowfoot Hodgkin' 
   1       'R.E.Hubbard' 
   1       'N.W.Isaacs' 
   1       'C.D.Reynolds' 
   1       'K.Sakabe' 
   1       'N.Sakabe' 
   1       'N.M.Vijayan' 
   2       'J.Bordas' 
   2       'G.G.Dodson' 
   2       'H.Grewe' 
   2       'M.H.J.Koch' 
   2       'B.Krebs' 
   2       'J.Randall' 
   3       'E.J.Dodson' 
   3       'G.G.Dodson' 
   3       'D.C.Hodgkin' 
   3       'C.D.Reynolds' 
   4       'N.W.Isaacs' 
   4       'R.C.Agarwal' 
   5       'G.Bentley' 
   5       'G.Dodson' 
   5       'A.Lewitova' 
   6       'E.J.Dodson' 
   6       'N.W.Isaacs' 
   6       'J.S.Rollett' 
   7       'D.C.Hodgkin' 
   8       'D.C.Hodgkin' 
   9       'T.Blundell' 
   9       'G.Dodson' 
   9       'D.Hodgkin' 
   9       'D.Mercola' 
  10       'T.L.Blundell' 
  10       'J.F.Cutfield' 
  10       'E.J.Dodson' 
  10       'G.G.Dodson' 
  10       'D.C.Hodgkin' 
  10       'D.A.Mercola' 
  11       'T.L.Blundell' 
  11       'J.F.Cutfield' 
  11       'S.M.Cutfield' 
  11       'E.J.Dodson' 
  11       'G.G.Dodson' 
  11       'D.C.Hodgkin' 
  11       'D.A.Mercola' 
  11       'M.Vijayan' 
  12       'T.L.Blundell' 
  12       'G.G.Dodson' 
  12       'E.Dodson' 
  12       'D.C.Hodgkin' 
  12       'M.Vijayan' 
  13       'E.N.Baker' 
  13       'G.Dodson' 
  14       'M.J.Adams' 
  14       'T.L.Blundell' 
  14       'E.J.Dodson' 
  14       'G.G.Dodson' 
  14       'M.Vijayan' 
  14       'E.N.Baker' 
  14       'M.M.Harding' 
  14       'D.C.Hodgkin' 
  14       'B.Rimmer' 
  14       'S.Sheat' 

_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.                                
; 


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              '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_label_seq_id
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.details
helix_A11 HELX_RH_AL_P GLY A    1  ILE A   10  'VAL 203 O H-BONDED TO HOH'
helix_A12 HELX_RH_3T_P SER A   12  GLU A   17  'CNTCTS MOSTLY GT 3A,NOT IDEAL'
helix_B11 HELX_RH_AL_P SER B    9  GLY B   20  'CYS 67 GLY 68, 3(10) CONTACTS'
helix_A21 HELX_RH_AL_P GLY C    1  ILE C   10  'NOT IDEAL ALPH,SOME PI CNTCTS'
helix_A22 HELX_RH_3T_P SER C   12  GLU C   17  'CNTCTS MOSTLY GT 3A,NOT IDEAL'
helix_B21 HELX_RH_AL_P SER D    9  GLY D   20  'CYS 67,GLY 68, 3(10) CONTACTS'
turn_1B1  TURN         CYS B   19  ARG B   22  ''
turn_1B2  TURN         GLY B   20  GLY B   23  ''
turn_2B1  TURN         CYS D   19  ARG D   22  ''
turn_2B2  TURN         GLY D   20  GLY D   23  ''

loop_
_struct_site.id
_struct_site.details
  D1  ?
  D1  ?
  D2  ?
  D2  ?
  H1  ?
  H1  ?
  H2  ?
  H2  ?
 SI1  ?
 SI1  ?
 SI2  ?
 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.label_seq_id
_struct_site_gen.label_alt_id
_struct_site_gen.symmetry
_struct_site_gen.details
  1  D1 VAL B    12 . 1_555 . 
  2  D1 TYR B    16 . 1_555 . 
  3  D1 PHE B    24 . 1_555 . 
  4  D1 PHE B    25 . 1_555 . 
  5  D1 TYR B    26 . 1_555 . 
  6  D2 VAL D    12 . 1_555 . 
  7  D2 TYR D    16 . 1_555 . 
  8  D2 PHE D    24 . 1_555 . 
  9  D2 PHE D    25 . 1_555 . 
 10  D2 TYR D    26 . 1_555 . 
 11  H1 LEU A    13 . 1_555 . 
 12  H1 TYR A    14 . 1_555 . 
 13  H1 PHE B     1 . 1_555 . 
 14  H1 GLU B    13 . 1_555 . 
 15  H1 ALA B    14 . 1_555 . 
 16  H1 LEU B    17 . 1_555 . 
 17  H1 VAL B    18 . 1_555 . 
 18  H2 LEU C    13 . 1_555 . 
 19  H2 TYR C    14 . 1_555 . 
 20  H2 PHE D     1 . 1_555 . 
 21  H2 GLU D    13 . 1_555 . 
 22  H2 ALA D    14 . 1_555 . 
 23  H2 LEU D    17 . 1_555 . 
 24  H2 VAL D    18 . 1_555 . 
 25 SI1 GLY A     1 . 1_555 . 
 26 SI1 GLU A     4 . 1_555 . 
 27 SI1 GLN A     5 . 1_555 . 
 28 SI1 CYS A     7 . 1_555 . 
 29 SI1 TYR A    19 . 1_555 . 
 30 SI1 ASN A    21 . 1_555 . 
 31 SI1 CYS B     7 . 1_555 . 
 32 SI2 GLY C     1 . 1_555 . 
 33 SI2 GLU C     4 . 1_555 . 
 34 SI2 GLN C     5 . 1_555 . 
 35 SI2 CYS C     7 . 1_555 . 
 36 SI2 TYR C    19 . 1_555 . 
 37 SI2 ASN C    21 . 1_555 . 
 38 SI2 CYS D     7 . 1_555 . 

_cell.length_a           82.500 
_cell.length_b           82.500 
_cell.length_c           34.000 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        120.000 
_cell.volume            258726.0 
_cell.details         ? 
_cell.Z_PDB                18 

_symmetry.space_group_name_H-M   ' R 3       ' 




##############################
#                            #
# STRUCT_CONN_TYPE           #
#                            #
##############################



loop_
_struct_conn_type.id
_struct_conn_type.criteria
_struct_conn_type.reference
  .     'unknown bond type from PDB file' ?
saltbr  'defined by user in PDB file'     ?
hydrog  'defined by user in PDB file'     ?
disulf  'defined by user in PDB file'     ?



##############################
#                            #
# STRUCT_CONN                #
#                            #
##############################



loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.ptnr1_label_res_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_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_res_id
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.ptnr2_label_alt_id
_struct_conn.ptnr2_role
_struct_conn.ptnr2_symmetry
_struct_conn.details
  1   .    CYS A    6  SG   .   ? 1_555 CYS A    6  CB   .   ? 1_555 .
  2   .    CYS A    6  SG   .   ? 1_555 CYS A   11  SG   .   ? 1_555 .
  3   .    CYS A    7  SG   .   ? 1_555 CYS A    7  CB   .   ? 1_555 .
  4   .    CYS A    7  SG   .   ? 1_555 CYS B    7  SG   .   ? 1_555 .
  5   .    CYS A   11  SG   .   ? 1_555 CYS A    6  SG   .   ? 1_555 .
  6   .    CYS A   11  SG   .   ? 1_555 CYS A   11  CB   .   ? 1_555 .
  7   .    CYS A   20  SG   .   ? 1_555 CYS A   20  CB   .   ? 1_555 .
  8   .    CYS A   20  SG   .   ? 1_555 CYS B   19  SG   .   ? 1_555 .
  9   .    CYS B    7  SG   .   ? 1_555 CYS A    7  SG   .   ? 1_555 .
 10   .    CYS B    7  SG   .   ? 1_555 CYS B    7  CB   .   ? 1_555 .
 11   .    CYS B   19  SG   .   ? 1_555 CYS A   20  SG   .   ? 1_555 .
 12   .    CYS B   19  SG   .   ? 1_555 CYS B   19  CB   .   ? 1_555 .
 13   .    CYS C    6  SG   .   ? 1_555 CYS C    6  CB   .   ? 1_555 .
 14   .    CYS C    6  SG   .   ? 1_555 CYS C   11  SG   .   ? 1_555 .
 15   .    CYS C    7  SG   .   ? 1_555 CYS C    7  CB   .   ? 1_555 .
 16   .    CYS C    7  SG   .   ? 1_555 CYS D    7  SG   .   ? 1_555 .
 17   .    CYS C   11  SG   .   ? 1_555 CYS C    6  SG   .   ? 1_555 .
 18   .    CYS C   11  SG   .   ? 1_555 CYS C   11  CB   .   ? 1_555 .
 19   .    CYS C   20  SG   .   ? 1_555 CYS C   20  CB   .   ? 1_555 .
 20   .    CYS C   20  SG   .   ? 1_555 CYS D   19  SG   .   ? 1_555 .
 21   .    CYS D    7  SG   .   ? 1_555 CYS C    7  SG   .   ? 1_555 .
 22   .    CYS D    7  SG   .   ? 1_555 CYS D    7  CB   .   ? 1_555 .
 23   .    CYS D   19  SG   .   ? 1_555 CYS C   20  SG   .   ? 1_555 .
 24   .    CYS D   19  SG   .   ? 1_555 CYS D   19  CB   .   ? 1_555 .
 25 disulf CYS A    6  ?    ?   ? 1_555 CYS A   11  ?    ?   ? 1_555
.
 26 disulf CYS C    6  ?    ?   ? 1_555 CYS C   11  ?    ?   ? 1_555
.
 27 disulf CYS A    7  ?    ?   ? 1_555 CYS B    7  ?    ?   ? 1_555
.
 28 disulf CYS A   20  ?    ?   ? 1_555 CYS B   19  ?    ?   ? 1_555
.
 29 disulf CYS C    7  ?    ?   ? 1_555 CYS D    7  ?    ?   ? 1_555
.
 30 disulf CYS C   20  ?    ?   ? 1_555 CYS D   19  ?    ?   ? 1_555
.



####################
#                  #
# 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
  1995-11-02 Converted to mmCIF format by pdb2cif
;
##########################
#                        #
# 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
     5  ZN
     6 HOH

loop_ 
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_chirality
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.type_details
  1  ?   ?   ?   ?   ?
  2  ?   ?   ?   ?   ?
  1  ?   ?   ?   ?   ?
  2  ?   ?   ?   ?   ?



####################
#                  #
# CHEM_COMP        #
#                  #
####################


loop_
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.formula
  ZN no 
; 2(ZN1 ++)                                          
; 
 HOH no 
; 350(H2 O1)                                         
; 



######################
#                    #
# ATOM_SITES         #
#                    #
######################






loop_ 
_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] 
  1.000000   0.000000   0.000000    0.00000
  0.000000   1.000000   0.000000    0.00000
  0.000000   0.000000   1.000000    0.00000

_atom_sites.cartn_transform_axes
  'See _atom_sites.frac_transf_matrix[i][j]'
loop_
_atom_sites.frac_transf_matrix[1][1]
_atom_sites.frac_transf_matrix[1][2]
_atom_sites.frac_transf_matrix[1][3]
_atom_sites.frac_transf_vector[1]
_atom_sites.frac_transf_matrix[2][1]
_atom_sites.frac_transf_matrix[2][2]
_atom_sites.frac_transf_matrix[2][3]
_atom_sites.frac_transf_vector[2]
_atom_sites.frac_transf_matrix[3][1]
_atom_sites.frac_transf_matrix[3][2]
_atom_sites.frac_transf_matrix[3][3]
_atom_sites.frac_transf_vector[3]
  0.012121   0.006998   0.000000    0.00000
  0.000000   0.013996   0.000000    0.00000
  0.000000   0.000000   0.029412    0.00000



##############################
#                            #
# ATOM_SITES_NON_CRYST_TRANSF#
#                            #
##############################

##### WARNING ################
#  DOMAIN INFORMATION NEEDED #
##############################


loop_ 
_atom_sites_non_cryst_transf.matrix_id
_atom_sites_non_cryst_transf.result_given
_atom_sites_non_cryst_transf.matrix[1][1]
_atom_sites_non_cryst_transf.matrix[1][2]
_atom_sites_non_cryst_transf.matrix[1][3]
_atom_sites_non_cryst_transf.vector[1] 
_atom_sites_non_cryst_transf.matrix[2][1]
_atom_sites_non_cryst_transf.matrix[2][2]
_atom_sites_non_cryst_transf.matrix[2][3]
_atom_sites_non_cryst_transf.vector[2] 
_atom_sites_non_cryst_transf.matrix[3][1]
_atom_sites_non_cryst_transf.matrix[3][2]
_atom_sites_non_cryst_transf.matrix[3][3]
_atom_sites_non_cryst_transf.vector[3] 
  1    yes
 -0.878620  -0.476960   0.023050    0.00000
 -0.477430   0.878370  -0.022860    0.00000
 -0.009350  -0.031090  -0.999470    0.00000



####################
#                  #
# 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.entity_seq_num
_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.label_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.entity_id
_atom_site.id
1
  ATOM  N  N    GLY A    1  .  -8.863  16.944  14.289  1.00 21.88   1   1      1
1
  ATOM  C  CA   GLY A    1  .  -9.929  17.026  13.244  1.00 22.85   1   1      2
1
  ATOM  C  C    GLY A    1  . -10.051  15.625  12.618  1.00 43.92   1   1      3
1
  ATOM  O  O    GLY A    1  .  -9.782  14.728  13.407  1.00 25.22   1   1      4
2
  ATOM  N  N    ILE A    2  . -10.333  15.531  11.332  1.00 26.28   1   1      5
2
  ATOM  C  CA   ILE A    2  . -10.488  14.266  10.600  1.00 20.84   1   1      6
2
  ATOM  C  C    ILE A    2  .  -9.367  13.302  10.658  1.00 11.81   1   1      7
2
  ATOM  O  O    ILE A    2  .  -9.580  12.092  10.969  1.00 20.31   1   1      8
2
  ATOM  C  CB   ILE A    2  . -10.883  14.493   9.095  1.00 40.00   1   1      9
2
  ATOM  C  CG1  ILE A    2  . -11.579  13.146   8.697  1.00 36.74   1   1     10
2
  ATOM  C  CG2  ILE A    2  .  -9.741  14.794   8.140  1.00 23.02   1   1     11
2
  ATOM  C  CD1  ILE A    2  . -12.813  13.031   9.640  1.00 26.69   1   1     12
3
  ATOM  N  N    VAL A    3  .  -8.133  13.759  10.483  1.00 16.57   1   1     13
3
  ATOM  C  CA   VAL A    3  .  -6.966  12.901  10.576  1.00 15.75   1   1     14
3
  ATOM  C  C    VAL A    3  .  -6.892  12.161  11.922  1.00 22.09   1   1     15
3
  ATOM  O  O    VAL A    3  .  -6.547  10.990  12.037  1.00 24.52   1   1     16
3
  ATOM  C  CB   VAL A    3  .  -5.697  13.708  10.225  1.00 21.34   1   1     17
3
  ATOM  C  CG1  VAL A    3  .  -4.382  12.960  10.448  1.00 32.48   1   1     18
3
  ATOM  C  CG2  VAL A    3  .  -5.842  14.209   8.777  1.00 26.35   1   1     19
4
  ATOM  N  N    GLU A    4  .  -7.043  13.019  12.935  1.00 16.58   1   1     20
4
  ATOM  C  CA   GLU A    4  .  -6.889  12.474  14.295  1.00 15.32   1   1     21
4
  ATOM  C  C    GLU A    4  .  -8.004  11.558  14.610  1.00 16.88   1   1     22
4
  ATOM  O  O    GLU A    4  .  -7.888  10.474  15.128  1.00 23.30   1   1     23
4
  ATOM  C  CB   GLU A    4  .  -6.809  13.691  15.266  1.00 17.11   1   1     24
4
  ATOM  C  CG   GLU A    4  .  -5.615  14.565  14.951  1.00 21.45   1   1     25
4
  ATOM  C  CD   GLU A    4  .  -5.704  15.457  13.735  1.00 21.59   1   1     26
4
  ATOM  O  OE1  GLU A    4  .  -6.757  15.959  13.377  1.00 23.43   1   1     27
4
  ATOM  O  OE2  GLU A    4  .  -4.568  15.569  13.179  1.00 25.36   1   1     28
5
  ATOM  N  N    GLN A    5  .  -9.199  12.048  14.356  1.00 15.69   1   1     29
5
  ATOM  C  CA   GLN A    5  . -10.407  11.299  14.630  1.00 12.38   1   1     30
5
  ATOM  C  C    GLN A    5  . -10.431   9.940  13.980  1.00 19.86   1   1     31
5
  ATOM  O  O    GLN A    5  . -10.815   8.931  14.542  1.00 16.83   1   1     32
5
  ATOM  C  CB   GLN A    5  . -11.594  12.130  14.152  1.00 21.13   1   1     33
5
  ATOM  C  CG   GLN A    5  . -12.860  11.374  14.561  1.00 22.06   1   1     34
5
  ATOM  C  CD   GLN A    5  . -13.946  11.901  13.634  1.00 42.02   1   1     35
5
  ATOM  O  OE1  GLN A    5  . -13.908  13.027  13.169  1.00 55.10   1   1     36
5
  ATOM  N  NE2  GLN A    5  . -14.943  11.030  13.351  1.00 27.27   1   1     37
6
  ATOM  N  N    CYS A    6  . -10.033   9.815  12.695  1.00 13.19  .    1     38
6
  ATOM  C  CA   CYS A    6  . -10.050   8.518  12.065  1.00 12.63  .    1     39
6
  ATOM  C  C    CYS A    6  .  -9.105   7.520  12.667  1.00  9.95  .    1     40
6
  ATOM  O  O    CYS A    6  .  -9.395   6.288  12.666  1.00 14.22  .    1     41
6
  ATOM  C  CB   CYS A    6  .  -9.660   8.673  10.559  1.00 12.54  .    1     42
6
  ATOM  S  SG   CYS A    6  . -10.925   9.459   9.579  1.00 13.00  .    1     43
7
  ATOM  N  N    CYS A    7  .  -8.018   7.992  13.171  1.00 10.84  .    1     44
7
  ATOM  C  CA   CYS A    7  .  -6.964   7.186  13.808  1.00 17.02  .    1     45
7
  ATOM  C  C    CYS A    7  .  -7.236   6.948  15.358  1.00 13.71  .    1     46
7
  ATOM  O  O    CYS A    7  .  -7.061   5.782  15.768  1.00 19.28  .    1     47
7
  ATOM  C  CB   CYS A    7  .  -5.578   7.826  13.656  1.00 20.24  .    1     48
7
  ATOM  S  SG   CYS A    7  .  -4.181   6.819  14.134  1.00 13.80  .    1     49
8
  ATOM  N  N    THR A    8  .  -7.655   7.937  16.058  1.00 12.57  .    1     50
8
  ATOM  C  CA   THR A    8  .  -7.862   7.732  17.520  1.00 19.99  .    1     51
8
  ATOM  C  C    THR A    8  .  -9.143   6.997  17.870  1.00 26.34  .    1     52
8
  ATOM  O  O    THR A    8  .  -9.189   6.157  18.795  1.00 25.43  .    1     53
8
  ATOM  C  CB   THR A    8  .  -7.728   9.055  18.386  1.00 20.77  .    1     54
8
  ATOM  O  OG1  THR A    8  .  -8.889   9.918  18.117  1.00 26.76  .    1     55
8
  ATOM  C  CG2  THR A    8  .  -6.334   9.700  18.196  1.00 26.50  .    1     56
9
  ATOM  N  N    SER A    9  . -10.170   7.350  17.058  1.00 20.01  .    1     57
9
  ATOM  C  CA   SER A    9  . -11.509   6.803  17.121  1.00 16.88  .    1     58
9
  ATOM  C  C    SER A    9  . -11.796   5.981  15.856  1.00 12.70  .    1     59
9
  ATOM  O  O    SER A    9  . -11.139   5.010  15.473  1.00 17.60  .    1     60
9
  ATOM  C  CB   SER A    9  . -12.331   8.067  17.439  1.00 19.52  .    1     61
9
  ATOM  O  OG   SER A    9  . -13.674   7.774  17.650  1.00 32.34  .    1     62
10
  ATOM  N  N    ILE A   10  . -12.883   6.382  15.159  1.00 15.34  .    1     63
10
  ATOM  C  CA   ILE A   10  . -13.350   5.723  13.932  1.00 20.23  .    1     64
10
  ATOM  C  C    ILE A   10  . -13.969   6.902  13.106  1.00 17.50  .    1     65
10
  ATOM  O  O    ILE A   10  . -14.355   7.922  13.623  1.00 16.60  .    1     66
10
  ATOM  C  CB   ILE A   10  . -14.366   4.524  14.047  1.00 19.39  .    1     67
10
  ATOM  C  CG1  ILE A   10  . -15.702   4.874  14.742  1.00 22.05  .    1     68
10
  ATOM  C  CG2  ILE A   10  . -13.711   3.300  14.723  1.00 23.30  .    1     69
10
  ATOM  C  CD1  ILE A   10  . -16.702   3.722  15.005  1.00 42.11  .    1     70
11
  ATOM  N  N    CYS A   11  . -14.080   6.685  11.767  1.00 12.14  .    1     71
11
  ATOM  C  CA   CYS A   11  . -14.665   7.679  10.880  1.00 11.24  .    1     72
11
  ATOM  C  C    CYS A   11  . -15.301   6.881   9.766  1.00 12.17  .    1     73
11
  ATOM  O  O    CYS A   11  . -14.962   5.692   9.528  1.00 21.14  .    1     74
11
  ATOM  C  CB   CYS A   11  . -13.695   8.702  10.417  1.00 13.03  .    1     75
11
  ATOM  S  SG   CYS A   11  . -12.375   8.019   9.385  1.00 13.60  .    1     76
12
  ATOM  N  N    SER A   12  . -16.233   7.557   9.095  1.00 11.37  .    1     77
12
  ATOM  C  CA   SER A   12  . -16.999   6.978   8.005  1.00  9.91  .    1     78
12
  ATOM  C  C    SER A   12  . -16.563   7.644   6.726  1.00  7.40  .    1     79
12
  ATOM  O  O    SER A   12  . -15.967   8.753   6.711  1.00  9.67  .    1     80
12
  ATOM  C  CB   SER A   12  . -18.516   7.183   8.084  1.00 16.64  .    1     81
12
  ATOM  O  OG   SER A   12  . -18.869   8.543   7.881  1.00 17.14  .    1     82
13
  ATOM  N  N    LEU A   13  . -16.852   6.914   5.612  1.00 11.35  .    1     83
13
  ATOM  C  CA   LEU A   13  . -16.530   7.444   4.259  1.00 11.35  .    1     84
13
  ATOM  C  C    LEU A   13  . -17.317   8.715   4.030  1.00 12.55  .    1     85
13
  ATOM  O  O    LEU A   13  . -16.835   9.521   3.226  1.00 11.78  .    1     86
13
  ATOM  C  CB   LEU A   13  . -16.774   6.348   3.232  1.00 11.66  .    1     87
13
  ATOM  C  CG   LEU A   13  . -15.940   5.046   3.316  1.00 18.12  .    1     88
13
  ATOM  C  CD1  LEU A   13  . -16.050   4.197   2.018  1.00 18.76  .    1     89
13
  ATOM  C  CD2  LEU A   13  . -14.471   5.320   3.537  1.00 17.26  .    1     90
14
  ATOM  N  N    TYR A   14  . -18.491   8.790   4.629  1.00 10.84  .    1     91
14
  ATOM  C  CA   TYR A   14  . -19.282  10.035   4.368  1.00 10.75  .    1     92
14
  ATOM  C  C    TYR A   14  . -18.639  11.228   4.963  1.00 12.81  .    1     93
14
  ATOM  O  O    TYR A   14  . -18.706  12.298   4.341  1.00 15.11  .    1     94
14
  ATOM  C  CB   TYR A   14  . -20.746   9.900   4.799  1.00 12.90  .    1     95
14
  ATOM  C  CG   TYR A   14  . -21.463   8.764   4.079  1.00 18.23  .    1     96
14
  ATOM  C  CD1  TYR A   14  . -22.110   9.123   2.891  1.00 18.95  .    1     97
14
  ATOM  C  CD2  TYR A   14  . -21.461   7.440   4.475  1.00 15.42  .    1     98
14
  ATOM  C  CE1  TYR A   14  . -22.767   8.167   2.086  1.00 18.15  .    1     99
14
  ATOM  C  CE2  TYR A   14  . -22.118   6.436   3.676  1.00 14.31  .    1    100
14
  ATOM  C  CZ   TYR A   14  . -22.738   6.856   2.556  1.00 15.47  .    1    101
14
  ATOM  O  OH   TYR A   14  . -23.436   5.926   1.716  1.00 24.86  .    1    102
15
  ATOM  N  N    GLN A   15  . -17.945  11.100   6.091  1.00  9.63  .    1    103
15
  ATOM  C  CA   GLN A   15  . -17.178  12.138   6.774  1.00  9.40  .    1    104
15
  ATOM  C  C    GLN A   15  . -16.012  12.543   5.900  1.00 10.52  .    1    105
15
  ATOM  O  O    GLN A   15  . -15.611  13.717   5.722  1.00 14.25  .    1    106
15
  ATOM  C  CB   GLN A   15  . -16.774  11.841   8.205  1.00 13.89  .    1    107
15
  ATOM  C  CG   GLN A   15  . -17.894  11.668   9.206  1.00 17.53  .    1    108
15
  ATOM  C  CD   GLN A   15  . -17.524  11.056  10.515  1.00 28.21  .    1    109
15
  ATOM  O  OE1  GLN A   15  . -16.865  10.027  10.598  1.00 20.14  .    1    110
15
  ATOM  N  NE2  GLN A   15  . -17.994  11.650  11.624  1.00 30.25  .    1    111
16
  ATOM  N  N    LEU A   16  . -15.352  11.525   5.325  1.00 12.99  .    1    112
16
  ATOM  C  CA   LEU A   16  . -14.185  11.826   4.470  1.00 11.19  .    1    113
16
  ATOM  C  C    LEU A   16  . -14.605  12.634   3.249  1.00 15.54  .    1    114
16
  ATOM  O  O    LEU A   16  . -13.767  13.398   2.745  1.00 16.01  .    1    115
16
  ATOM  C  CB   LEU A   16  . -13.588  10.521   4.060  1.00 12.67  .    1    116
16
  ATOM  C  CG   LEU A   16  . -12.954   9.717   5.182  1.00 13.07  .    1    117
16
  ATOM  C  CD1  LEU A   16  . -12.115   8.571   4.602  1.00 16.61  .    1    118
16
  ATOM  C  CD2  LEU A   16  . -12.041  10.559   6.028  1.00 16.50  .    1    119
17
  ATOM  N  N    GLU A   17  . -15.779  12.420   2.759  1.00 17.50  .    1    120
17
  ATOM  C  CA   GLU A   17  . -16.223  13.179   1.589  1.00 17.72  .    1    121
17
  ATOM  C  C    GLU A   17  . -16.171  14.693   1.811  1.00 19.21  .    1    122
17
  ATOM  O  O    GLU A   17  . -16.118  15.466   0.803  1.00 18.48  .    1    123
17
  ATOM  C  CB   GLU A   17  . -17.645  12.862   1.215  1.00 17.38  .    1    124
17
  ATOM  C  CG   GLU A   17  . -17.885  11.629   0.360  1.00 27.97  .    1    125
17
  ATOM  C  CD   GLU A   17  . -19.225  11.667  -0.391  1.00 26.70  .    1    126
17
  ATOM  O  OE1  GLU A   17  . -20.201  11.466   0.276  1.00 29.93  .    1    127
17
  ATOM  O  OE2  GLU A   17  . -19.127  11.873  -1.643  1.00 34.66  .    1    128
18
  ATOM  N  N    ASN A   18  . -16.094  15.074   3.104  1.00 15.10  .    1    129
18
  ATOM  C  CA   ASN A   18  . -16.029  16.534   3.332  1.00 18.85  .    1    130
18
  ATOM  C  C    ASN A   18  . -14.703  17.131   2.954  1.00 18.46  .    1    131
18
  ATOM  O  O    ASN A   18  . -14.545  18.377   2.834  1.00 19.68  .    1    132
18
  ATOM  C  CB   ASN A   18  . -16.489  16.934   4.738  1.00 20.66  .    1    133
18
  ATOM  C  CG   ASN A   18  . -17.868  16.338   5.142  1.00 29.79  .    1    134
18
  ATOM  O  OD1  ASN A   18  . -18.813  16.053   4.382  1.00 34.48  .    1    135
18
  ATOM  N  ND2  ASN A   18  . -17.991  16.168   6.452  1.00 36.00  .    1    136
19
  ATOM  N  N    TYR A   19  . -13.697  16.327   2.738  1.00 15.68  .    1    137
19
  ATOM  C  CA   TYR A   19  . -12.358  16.724   2.380  1.00 14.19  .    1    138
19
  ATOM  C  C    TYR A   19  . -12.154  16.695   0.899  1.00 13.20  .    1    139
19
  ATOM  O  O    TYR A   19  . -11.010  17.038   0.480  1.00 16.12  .    1    140
19
  ATOM  C  CB   TYR A   19  . -11.364  15.840   3.178  1.00 14.35  .    1    141
19
  ATOM  C  CG   TYR A   19  . -11.586  16.223   4.634  1.00 21.24  .    1    142
19
  ATOM  C  CD1  TYR A   19  . -10.853  17.300   5.129  1.00 26.61  .    1    143
19
  ATOM  C  CD2  TYR A   19  . -12.562  15.703   5.445  1.00 19.21  .    1    144
19
  ATOM  C  CE1  TYR A   19  . -11.084  17.801   6.393  1.00 27.80  .    1    145
19
  ATOM  C  CE2  TYR A   19  . -12.833  16.207   6.714  1.00 23.98  .    1    146
19
  ATOM  C  CZ   TYR A   19  . -12.081  17.267   7.187  1.00 34.08  .    1    147
19
  ATOM  O  OH   TYR A   19  . -12.227  17.849   8.400  1.00 37.96  .    1    148
20
  ATOM  N  N    CYS A   20  . -13.057  16.313   0.077  1.00 13.05  .    1    149
20
  ATOM  C  CA   CYS A   20  . -12.838  16.309  -1.389  1.00 18.69  .    1    150
20
  ATOM  C  C    CYS A   20  . -12.984  17.799  -1.802  1.00 19.09  .    1    151
20
  ATOM  O  O    CYS A   20  . -13.588  18.579  -1.084  1.00 19.31  .    1    152
20
  ATOM  C  CB   CYS A   20  . -13.850  15.490  -2.157  1.00 15.99  .    1    153
20
  ATOM  S  SG   CYS A   20  . -13.923  13.761  -1.584  1.00 12.90  .    1    154
21
  ATOM  N  N    ASN A   21  . -12.380  18.063  -2.909  1.00 17.63  .    1    155
21
  ATOM  C  CA   ASN A   21  . -12.404  19.399  -3.608  1.00 25.23  .    1    156
21
  ATOM  C  C    ASN A   21  . -13.642  19.696  -4.447  1.00 34.82  .    1    157
21
  ATOM  O  O    ASN A   21  . -14.146  18.703  -4.956  1.00 31.24  .    1    158
21
  ATOM  C  CB   ASN A   21  . -11.228  19.392  -4.521  1.00 19.06  .    1    159
21
  ATOM  C  CG   ASN A   21  . -10.020  20.283  -4.456  1.00 40.71  .    1    160
21
  ATOM  O  OD1  ASN A   21  . -10.067  21.380  -5.083  1.00 68.22  .    1    161
21
  ATOM  N  ND2  ASN A   21  .  -9.004  19.667  -3.808  1.00 39.69  .    1    162
21
  ATOM  O  OXT  ASN A   21  . -13.881  20.890  -4.604  1.00 41.83  .    1    163
21
  TER   .  .    ASN A   21  .    .       .       .      .     .    .    1    164
22
  ATOM  N  N    PHE B    1  . -21.768   1.132   3.577  1.00 25.87  .    2    165
22
  ATOM  C  CA   PHE B    1  . -20.374   1.368   4.053  1.00 24.30  .    2    166
22
  ATOM  C  C    PHE B    1  . -20.341   1.145   5.585  1.00 39.74  .    2    167
22
  ATOM  O  O    PHE B    1  . -21.423   1.141   6.173  1.00 38.10  .    2    168
22
  ATOM  C  CB   PHE B    1  . -19.806   2.718   3.624  1.00 22.51  .    2    169
22
  ATOM  C  CG   PHE B    1  . -19.924   2.916   2.131  1.00 16.52  .    2    170
22
  ATOM  C  CD1  PHE B    1  . -20.067   4.204   1.618  1.00 35.58  .    2    171
22
  ATOM  C  CD2  PHE B    1  . -19.709   1.873   1.262  1.00 20.86  .    2    172
22
  ATOM  C  CE1  PHE B    1  . -20.093   4.444   0.243  1.00 52.66  .    2    173
22
  ATOM  C  CE2  PHE B    1  . -19.824   2.067  -0.123  1.00 51.46  .    2    174
22
  ATOM  C  CZ   PHE B    1  . -20.011   3.332  -0.631  1.00 42.63  .    2    175
23
  ATOM  N  N    VAL B    2  . -19.104   0.899   6.027  1.00 21.12  .    2    176
23
  ATOM  C  CA   VAL B    2  . -18.754   0.598   7.406  1.00 36.74  .    2    177
23
  ATOM  C  C    VAL B    2  . -17.780   1.656   7.965  1.00 23.52  .    2    178
23
  ATOM  O  O    VAL B    2  . -17.104   2.328   7.197  1.00 19.56  .    2    179
23
  ATOM  C  CB   VAL B    2  . -18.048  -0.765   7.638  1.00 30.58  .    2    180
23
  ATOM  C  CG1  VAL B    2  . -18.993  -1.953   7.609  1.00 25.73  .    2    181
23
  ATOM  C  CG2  VAL B    2  . -16.776  -0.916   6.799  1.00 22.31  .    2    182
24
  ATOM  N  N    ASN B    3  . -17.741   1.753   9.278  1.00 13.38  .    2    183
24
  ATOM  C  CA   ASN B    3  . -16.872   2.691   9.950  1.00 13.94  .    2    184
24
  ATOM  C  C    ASN B    3  . -15.457   2.100   9.881  1.00 15.03  .    2    185
24
  ATOM  O  O    ASN B    3  . -15.312   0.857   9.926  1.00 24.85  .    2    186
24
  ATOM  C  CB   ASN B    3  . -17.272   3.010  11.382  1.00 25.01  .    2    187
24
  ATOM  C  CG   ASN B    3  . -18.513   3.844  11.511  1.00 49.04  .    2    188
24
  ATOM  O  OD1  ASN B    3  . -18.658   4.774  10.724  1.00 34.50  .    2    189
24
  ATOM  N  ND2  ASN B    3  . -19.333   3.415  12.473  1.00 35.00  .    2    190
25
  ATOM  N  N    GLN B    4  . -14.509   3.031   9.767  1.00 12.52   2   2    191
25
  ATOM  C  CA   GLN B    4  . -13.137   2.542   9.571  1.00 22.69   2   2    192
25
  ATOM  C  C    GLN B    4  . -12.213   3.224  10.580  1.00 13.29   2   2    193
25
  ATOM  O  O    GLN B    4  . -12.347   4.333  11.118  1.00 20.53   2   2    194
25
  ATOM  C  CB   GLN B    4  . -12.666   2.760   8.116  1.00 39.18   2   2    195
25
  ATOM  C  CG   GLN B    4  A -13.007   1.731   7.035  0.60 11.45   2   2    196
25
  ATOM  C  CG   GLN B    4  B -12.978   1.763   6.996  0.40 37.30   2   2    197
25
  ATOM  C  CD   GLN B    4  A -12.270   0.520   6.830  0.60 12.42   2   2    198
25
  ATOM  C  CD   GLN B    4  B -14.070   2.781   6.746  0.40 32.97   2   2    199
25
  ATOM  O  OE1  GLN B    4  A -12.812  -0.612   6.494  0.60 17.67   2   2    200
25
  ATOM  O  OE1  GLN B    4  B -14.059   3.957   7.112  0.40 40.00   2   2    201
25
  ATOM  N  NE2  GLN B    4  A -10.898   0.624   6.949  0.60 28.94   2   2    202
25
  ATOM  N  NE2  GLN B    4  B -15.108   2.179   6.165  0.40 35.67   2   2    203
26
  ATOM  N  N    HIS B    5  . -11.158   2.442  10.837  1.00 13.02   1   2    204
26
  ATOM  C  CA   HIS B    5  . -10.083   3.000  11.779  1.00 17.05   1   2    205
26
  ATOM  C  C    HIS B    5  .  -8.855   3.149  10.899  1.00 10.95   1   2    206
26
  ATOM  O  O    HIS B    5  .  -8.284   2.166  10.380  1.00 17.14   1   2    207
26
  ATOM  C  CB   HIS B    5  .  -9.982   1.956  12.877  1.00 22.24   1   2    208
26
  ATOM  C  CG   HIS B    5  .  -8.934   2.400  13.860  1.00 25.74   1   2    209
26
  ATOM  N  ND1  HIS B    5  .  -8.072   1.535  14.436  1.00 35.32   1   2    210
26
  ATOM  C  CD2  HIS B    5  .  -8.637   3.596  14.329  1.00 28.02   1   2    211
26
  ATOM  C  CE1  HIS B    5  .  -7.275   2.240  15.211  1.00 28.73   1   2    212
26
  ATOM  N  NE2  HIS B    5  .  -7.571   3.509  15.150  1.00 30.21   1   2    213
27
  ATOM  N  N    LEU B    6  .  -8.529   4.400  10.604  1.00 11.30  .    2    214
27
  ATOM  C  CA   LEU B    6  .  -7.468   4.709   9.611  1.00 11.13  .    2    215
27
  ATOM  C  C    LEU B    6  .  -6.399   5.604  10.158  1.00 11.03  .    2    216
27
  ATOM  O  O    LEU B    6  .  -6.695   6.779  10.484  1.00 13.66  .    2    217
27
  ATOM  C  CB   LEU B    6  .  -8.231   5.398   8.411  1.00 14.13  .    2    218
27
  ATOM  C  CG   LEU B    6  .  -9.251   4.634   7.563  1.00 13.39  .    2    219
27
  ATOM  C  CD1  LEU B    6  . -10.017   5.598   6.671  1.00 14.70  .    2    220
27
  ATOM  C  CD2  LEU B    6  .  -8.620   3.517   6.767  1.00 18.25  .    2    221
28
  ATOM  N  N    CYS B    7  .  -5.180   5.069  10.115  1.00 10.06  .    2    222
28
  ATOM  C  CA   CYS B    7  .  -4.058   5.835  10.569  1.00 10.70  .    2    223
28
  ATOM  C  C    CYS B    7  .  -3.033   5.982   9.484  1.00 13.26  .    2    224
28
  ATOM  O  O    CYS B    7  .  -2.955   5.198   8.573  1.00 19.10  .    2    225
28
  ATOM  C  CB   CYS B    7  .  -3.434   5.105  11.762  1.00 15.88  .    2    226
28
  ATOM  S  SG   CYS B    7  .  -4.523   5.099  13.246  1.00 16.40  .    2    227
29
  ATOM  N  N    GLY B    8  .  -2.181   6.993   9.540  1.00 12.37  .    2    228
29
  ATOM  C  CA   GLY B    8  .  -1.070   7.261   8.632  1.00 12.72  .    2    229
29
  ATOM  C  C    GLY B    8  .  -1.465   7.317   7.204  1.00 13.24  .    2    230
29
  ATOM  O  O    GLY B    8  .  -2.470   7.884   6.744  1.00 11.92  .    2    231
30
  ATOM  N  N    SER B    9  .  -0.609   6.582   6.429  1.00 11.74  .    2    232
30
  ATOM  C  CA   SER B    9  .  -0.863   6.544   4.980  1.00 15.89  .    2    233
30
  ATOM  C  C    SER B    9  .  -2.183   5.870   4.578  1.00  9.73  .    2    234
30
  ATOM  O  O    SER B    9  .  -2.649   6.111   3.528  1.00 10.43  .    2    235
30
  ATOM  C  CB   SER B    9  .   0.309   5.921   4.206  1.00 17.74  .    2    236
30
  ATOM  O  OG   SER B    9  .   0.534   4.626   4.735  1.00 17.37  .    2    237
31
  ATOM  N  N    HIS B   10  .  -2.721   5.100   5.451  1.00 10.19  .    2    238
31
  ATOM  C  CA   HIS B   10  .  -3.940   4.379   5.188  1.00  7.66  .    2    239
31
  ATOM  C  C    HIS B   10  .  -5.081   5.431   5.075  1.00 10.17  .    2    240
31
  ATOM  O  O    HIS B   10  .  -6.021   5.163   4.291  1.00 10.92  .    2    241
31
  ATOM  C  CB   HIS B   10  .  -4.234   3.316   6.228  1.00  9.55  .    2    242
31
  ATOM  C  CG   HIS B   10  .  -3.192   2.269   6.364  1.00  9.55  .    2    243
31
  ATOM  N  ND1  HIS B   10  .  -3.043   1.310   5.423  1.00 15.86  .    2    244
31
  ATOM  C  CD2  HIS B   10  .  -2.289   1.991   7.311  1.00  8.47  .    2    245
31
  ATOM  C  CE1  HIS B   10  .  -2.078   0.573   5.774  1.00 10.65  .    2    246
31
  ATOM  N  NE2  HIS B   10  .  -1.589   0.939   6.878  1.00  9.41  .    2    247
32
  ATOM  N  N    LEU B   11  .  -5.016   6.497   5.810  1.00  8.93  .    2    248
32
  ATOM  C  CA   LEU B   11  .  -6.071   7.518   5.617  1.00  9.64  .    2    249
32
  ATOM  C  C    LEU B   11  .  -5.967   8.182   4.279  1.00  7.89  .    2    250
32
  ATOM  O  O    LEU B   11  .  -6.969   8.462   3.666  1.00  9.74  .    2    251
32
  ATOM  C  CB   LEU B   11  .  -5.860   8.541   6.740  1.00  6.93  .    2    252
32
  ATOM  C  CG   LEU B   11  .  -6.949   9.607   6.783  1.00 14.50  .    2    253
32
  ATOM  C  CD1  LEU B   11  .  -8.376   9.229   6.627  1.00 18.34  .    2    254
32
  ATOM  C  CD2  LEU B   11  .  -6.742  10.309   8.115  1.00 20.70  .    2    255
33
  ATOM  N  N    VAL B   12  .  -4.751   8.449   3.799  1.00 10.12   2   2    256
33
  ATOM  C  CA   VAL B   12  .  -4.579   9.057   2.495  1.00  8.05   2   2    257
33
  ATOM  C  C    VAL B   12  .  -5.050   8.131   1.372  1.00  8.14   2   2    258
33
  ATOM  O  O    VAL B   12  .  -5.595   8.653   0.398  1.00 11.63   2   2    259
33
  ATOM  C  CB   VAL B   12  .  -3.153   9.538   2.230  1.00 11.54   2   2    260
33
  ATOM  C  CG1  VAL B   12  .  -2.809  10.670   3.148  1.00 17.75   2   2    261
33
  ATOM  C  CG2  VAL B   12  A  -2.822   9.786   0.799  0.50  4.68   2   2    262
33
  ATOM  C  CG2  VAL B   12  B  -1.963   8.655   2.123  0.50 10.87   2   2    263
34
  ATOM  N  N    GLU B   13  .  -4.906   6.880   1.502  1.00  6.12  .    2    264
34
  ATOM  C  CA   GLU B   13  .  -5.432   5.946   0.542  1.00  8.88  .    2    265
34
  ATOM  C  C    GLU B   13  .  -6.966   6.014   0.472  1.00 12.22  .    2    266
34
  ATOM  O  O    GLU B   13  .  -7.578   6.035  -0.614  1.00 11.15  .    2    267
34
  ATOM  C  CB   GLU B   13  .  -4.996   4.506   0.854  1.00 12.65  .    2    268
34
  ATOM  C  CG   GLU B   13  .  -3.497   4.444   0.582  1.00 15.60  .    2    269
34
  ATOM  C  CD   GLU B   13  .  -3.246   3.857  -0.794  1.00 53.85  .    2    270
34
  ATOM  O  OE1  GLU B   13  .  -4.238   3.643  -1.500  1.00 33.68  .    2    271
34
  ATOM  O  OE2  GLU B   13  .  -2.114   3.611  -1.126  1.00 47.24  .    2    272
35
  ATOM  N  N    ALA B   14  .  -7.659   6.004   1.637  1.00  7.15  .    2    273
35
  ATOM  C  CA   ALA B   14  .  -9.061   6.164   1.719  1.00  7.29  .    2    274
35
  ATOM  C  C    ALA B   14  .  -9.563   7.482   1.051  1.00  6.80  .    2    275
35
  ATOM  O  O    ALA B   14  . -10.595   7.468   0.346  1.00 11.10  .    2    276
35
  ATOM  C  CB   ALA B   14  .  -9.604   6.039   3.106  1.00 12.06  .    2    277
36
  ATOM  N  N    LEU B   15  .  -8.876   8.580   1.321  1.00  6.72  .    2    278
36
  ATOM  C  CA   LEU B   15  .  -9.224   9.854   0.717  1.00 13.51  .    2    279
36
  ATOM  C  C    LEU B   15  .  -9.111   9.815  -0.829  1.00 14.62  .    2    280
36
  ATOM  O  O    LEU B   15  .  -9.956  10.390  -1.496  1.00 12.32  .    2    281
36
  ATOM  C  CB   LEU B   15  .  -8.317  10.981   1.327  1.00  9.71  .    2    282
36
  ATOM  C  CG   LEU B   15  .  -8.755  11.581   2.649  1.00  8.92  .    2    283
36
  ATOM  C  CD1  LEU B   15  .  -7.682  12.475   3.236  1.00 14.49  .    2    284
36
  ATOM  C  CD2  LEU B   15  . -10.096  12.235   2.460  1.00 12.03  .    2    285
37
  ATOM  N  N    TYR B   16  .  -8.050   9.147  -1.297  1.00  8.65  .    2    286
37
  ATOM  C  CA   TYR B   16  .  -7.838   8.961  -2.686  1.00  8.75  .    2    287
37
  ATOM  C  C    TYR B   16  .  -8.999   8.175  -3.284  1.00 11.14  .    2    288
37
  ATOM  O  O    TYR B   16  .  -9.508   8.504  -4.371  1.00 14.34  .    2    289
37
  ATOM  C  CB   TYR B   16  .  -6.494   8.247  -3.047  1.00  7.72  .    2    290
37
  ATOM  C  CG   TYR B   16  .  -6.271   8.027  -4.522  1.00 10.81  .    2    291
37
  ATOM  C  CD1  TYR B   16  .  -6.450   6.784  -5.047  1.00 17.09  .    2    292
37
  ATOM  C  CD2  TYR B   16  .  -6.009   9.104  -5.338  1.00 12.64  .    2    293
37
  ATOM  C  CE1  TYR B   16  .  -6.354   6.581  -6.467  1.00 17.76  .    2    294
37
  ATOM  C  CE2  TYR B   16  .  -5.898   8.958  -6.741  1.00 13.94  .    2    295
37
  ATOM  C  CZ   TYR B   16  .  -6.110   7.692  -7.259  1.00 17.34  .    2    296
37
  ATOM  O  OH   TYR B   16  .  -5.925   7.520  -8.594  1.00 25.34  .    2    297
38
  ATOM  N  N    LEU B   17  .  -9.428   7.109  -2.664  1.00  8.68  .    2    298
38
  ATOM  C  CA   LEU B   17  . -10.566   6.290  -3.167  1.00  8.83  .    2    299
38
  ATOM  C  C    LEU B   17  . -11.861   7.087  -3.142  1.00 10.95  .    2    300
38
  ATOM  O  O    LEU B   17  . -12.650   7.046  -4.073  1.00 15.67  .    2    301
38
  ATOM  C  CB   LEU B   17  . -10.665   5.052  -2.327  1.00 10.82  .    2    302
38
  ATOM  C  CG   LEU B   17  .  -9.594   4.104  -2.924  1.00 28.76  .    2    303
38
  ATOM  C  CD1  LEU B   17  .  -9.136   3.067  -1.933  1.00 30.52  .    2    304
38
  ATOM  C  CD2  LEU B   17  . -10.280   3.540  -4.157  1.00 34.91  .    2    305
39
  ATOM  N  N    VAL B   18  . -12.123   7.786  -2.036  1.00  8.85  .    2    306
39
  ATOM  C  CA   VAL B   18  . -13.351   8.545  -1.933  1.00  8.77  .    2    307
39
  ATOM  C  C    VAL B   18  . -13.433   9.713  -2.873  1.00  9.77  .    2    308
39
  ATOM  O  O    VAL B   18  . -14.472   9.937  -3.457  1.00 16.86  .    2    309
39
  ATOM  C  CB   VAL B   18  . -13.604   8.974  -0.463  1.00 14.39  .    2    310
39
  ATOM  C  CG1  VAL B   18  . -14.784   9.899  -0.282  1.00 11.72  .    2    311
39
  ATOM  C  CG2  VAL B   18  . -13.862   7.763   0.393  1.00 12.58  .    2    312
40
  ATOM  N  N    CYS B   19  . -12.422  10.518  -2.958  1.00  9.03  .    2    313
40
  ATOM  C  CA   CYS B   19  . -12.433  11.758  -3.756  1.00  8.88  .    2    314
40
  ATOM  C  C    CYS B   19  . -11.994  11.555  -5.212  1.00 14.69  .    2    315
40
  ATOM  O  O    CYS B   19  . -12.410  12.303  -6.126  1.00 16.46  .    2    316
40
  ATOM  C  CB   CYS B   19  . -11.558  12.719  -3.005  1.00 11.19  .    2    317
40
  ATOM  S  SG   CYS B   19  . -12.040  13.127  -1.344  1.00 10.10  .    2    318
41
  ATOM  N  N    GLY B   20  . -11.149  10.609  -5.463  1.00 17.12  .    2    319
41
  ATOM  C  CA   GLY B   20  . -10.685  10.359  -6.851  1.00 21.59  .    2    320
41
  ATOM  C  C    GLY B   20  . -10.275  11.650  -7.524  1.00 21.38  .    2    321
41
  ATOM  O  O    GLY B   20  .  -9.494  12.483  -7.053  1.00 20.41  .    2    322
42
  ATOM  N  N    GLU B   21  . -10.784  11.844  -8.710  1.00 29.76   2   2    323
42
  ATOM  C  CA   GLU B   21  . -10.398  13.043  -9.501  1.00 24.44   2   2    324
42
  ATOM  C  C    GLU B   21  . -10.898  14.356  -9.065  1.00 19.21   2   2    325
42
  ATOM  O  O    GLU B   21  . -10.430  15.331  -9.665  1.00 19.00   2   2    326
42
  ATOM  C  CB   GLU B   21  . -10.776  12.724 -10.968  1.00 28.66   2   2    327
42
  ATOM  C  CG   GLU B   21  A -12.310  12.519 -11.045  0.50 56.11   2   2    328
42
  ATOM  C  CG   GLU B   21  B  -9.804  13.415 -11.966  0.50 75.35   2   2    329
42
  ATOM  C  CD   GLU B   21  A -12.707  11.349 -11.901  0.50 62.47   2   2    330
42
  ATOM  C  CD   GLU B   21  B  -9.689  13.292 -13.466  0.50 52.68   2   2    331
42
  ATOM  O  OE1  GLU B   21  A -12.515  10.193 -11.564  0.50 48.34   2   2    332
42
  ATOM  O  OE1  GLU B   21  B -10.540  12.768 -14.159  0.50 50.28   2   2    333
42
  ATOM  O  OE2  GLU B   21  A -13.225  11.772 -12.958  0.50 49.92   2   2    334
42
  ATOM  O  OE2  GLU B   21  B  -8.505  13.537 -13.781  0.50 27.33   2   2    335
43
  ATOM  N  N    ARG B   22  . -11.703  14.491  -8.034  1.00 15.49   2   2    336
43
  ATOM  C  CA   ARG B   22  . -12.089  15.732  -7.456  1.00 16.44   2   2    337
43
  ATOM  C  C    ARG B   22  . -10.797  16.222  -6.745  1.00 17.70   2   2    338
43
  ATOM  O  O    ARG B   22  . -10.636  17.458  -6.608  1.00 21.36   2   2    339
43
  ATOM  C  CB   ARG B   22  . -13.234  15.678  -6.464  1.00 21.99   2   2    340
43
  ATOM  C  CG   ARG B   22  . -14.645  15.427  -7.037  1.00 57.89   2   2    341
43
  ATOM  C  CD   ARG B   22  . -15.675  15.167  -5.960  1.00 31.23   2   2    342
43
  ATOM  N  NE   ARG B   22  A -15.739  16.404  -5.124  0.50 16.46   2   2    343
43
  ATOM  N  NE   ARG B   22  B -15.629  13.808  -5.271  0.50 17.69   2   2    344
43
  ATOM  C  CZ   ARG B   22  A -16.608  16.581  -4.143  0.50 39.57   2   2    345
43
  ATOM  C  CZ   ARG B   22  B -16.379  13.225  -4.283  0.50 33.09   2   2    346
43
  ATOM  N  NH1  ARG B   22  A -16.743  17.672  -3.416  0.50 20.14   2   2    347
43
  ATOM  N  NH1  ARG B   22  B -16.987  14.046  -3.392  0.50 51.50   2   2    348
43
  ATOM  N  NH2  ARG B   22  A -17.405  15.551  -3.871  0.50 35.40   2   2    349
43
  ATOM  N  NH2  ARG B   22  B -16.705  11.943  -4.184  0.50 19.59   2   2    350
44
  ATOM  N  N    GLY B   23  . -10.007  15.246  -6.287  1.00 19.18  .    2    351
44
  ATOM  C  CA   GLY B   23  .  -8.844  15.673  -5.491  1.00 11.89  .    2    352
44
  ATOM  C  C    GLY B   23  .  -9.339  15.932  -4.075  1.00 12.83  .    2    353
44
  ATOM  O  O    GLY B   23  . -10.524  15.922  -3.626  1.00 14.47  .    2    354
45
  ATOM  N  N    PHE B   24  .  -8.343  16.165  -3.187  1.00 12.54  .    2    355
45
  ATOM  C  CA   PHE B   24  .  -8.584  16.432  -1.765  1.00 10.08  .    2    356
45
  ATOM  C  C    PHE B   24  .  -7.488  17.220  -1.123  1.00 10.77  .    2    357
45
  ATOM  O  O    PHE B   24  .  -6.411  17.409  -1.657  1.00 10.93  .    2    358
45
  ATOM  C  CB   PHE B   24  .  -8.754  15.111  -1.032  1.00  3.80  .    2    359
45
  ATOM  C  CG   PHE B   24  .  -7.638  14.114  -1.034  1.00  5.98  .    2    360
45
  ATOM  C  CD1  PHE B   24  .  -7.488  13.202  -2.069  1.00  5.61  .    2    361
45
  ATOM  C  CD2  PHE B   24  .  -6.667  14.205  -0.036  1.00  8.93  .    2    362
45
  ATOM  C  CE1  PHE B   24  .  -6.375  12.338  -2.106  1.00 14.64  .    2    363
45
  ATOM  C  CE2  PHE B   24  .  -5.573  13.387   0.027  1.00 11.74  .    2    364
45
  ATOM  C  CZ   PHE B   24  .  -5.457  12.470  -1.008  1.00  9.78  .    2    365
46
  ATOM  N  N    PHE B   25  .  -7.717  17.612   0.116  1.00 14.20   1   2    366
46
  ATOM  C  CA   PHE B   25  .  -6.813  18.302   1.052  1.00 12.03   1   2    367
46
  ATOM  C  C    PHE B   25  .  -6.569  17.356   2.221  1.00 12.69   1   2    368
46
  ATOM  O  O    PHE B   25  .  -7.485  16.788   2.757  1.00 15.22   1   2    369
46
  ATOM  C  CB   PHE B   25  .  -7.387  19.633   1.684  1.00 17.25   1   2    370
46
  ATOM  C  CG   PHE B   25  .  -7.105  20.689   0.637  1.00 30.38   1   2    371
46
  ATOM  C  CD1  PHE B   25  .  -7.842  20.802  -0.543  1.00 61.20   1   2    372
46
  ATOM  C  CD2  PHE B   25  .  -6.003  21.541   0.896  1.00 56.90   1   2    373
46
  ATOM  C  CE1  PHE B   25  .  -7.445  21.790  -1.461  1.00 29.52   1   2    374
46
  ATOM  C  CE2  PHE B   25  .  -5.648  22.564  -0.027  1.00 40.31   1   2    375
46
  ATOM  C  CZ   PHE B   25  .  -6.382  22.681  -1.235  1.00 30.38   1   2    376
47
  ATOM  N  N    TYR B   26  .  -5.345  17.202   2.583  1.00 11.25  .    2    377
47
  ATOM  C  CA   TYR B   26  .  -4.996  16.333   3.717  1.00 10.42  .    2    378
47
  ATOM  C  C    TYR B   26  .  -4.445  17.350   4.714  1.00 15.08  .    2    379
47
  ATOM  O  O    TYR B   26  .  -3.350  17.906   4.518  1.00 14.52  .    2    380
47
  ATOM  C  CB   TYR B   26  .  -3.949  15.288   3.319  1.00  9.51  .    2    381
47
  ATOM  C  CG   TYR B   26  .  -3.404  14.530   4.474  1.00 12.61  .    2    382
47
  ATOM  C  CD1  TYR B   26  .  -4.243  13.688   5.178  1.00 20.50  .    2    383
47
  ATOM  C  CD2  TYR B   26  .  -2.105  14.676   4.857  1.00 13.88  .    2    384
47
  ATOM  C  CE1  TYR B   26  .  -3.652  12.967   6.246  1.00 16.38  .    2    385
47
  ATOM  C  CE2  TYR B   26  .  -1.577  14.010   5.941  1.00 10.97  .    2    386
47
  ATOM  C  CZ   TYR B   26  .  -2.347  13.149   6.642  1.00 11.71  .    2    387
47
  ATOM  O  OH   TYR B   26  .  -1.853  12.447   7.734  1.00 16.39  .    2    388
48
  ATOM  N  N    THR B   27  .  -5.287  17.537   5.752  1.00 15.47  .    2    389
48
  ATOM  C  CA   THR B   27  .  -4.902  18.555   6.772  1.00 20.05  .    2    390
48
  ATOM  C  C    THR B   27  .  -4.834  18.053   8.250  1.00 15.09  .    2    391
48
  ATOM  O  O    THR B   27  .  -5.825  18.282   8.943  1.00 22.56  .    2    392
48
  ATOM  C  CB   THR B   27  .  -5.856  19.825   6.753  1.00 26.34  .    2    393
48
  ATOM  O  OG1  THR B   27  A  -7.228  19.328   6.558  0.50 39.91  .    2    394
48
  ATOM  O  OG1  THR B   27  B  -5.691  20.478   5.511  0.50 29.43  .    2    395
48
  ATOM  C  CG2  THR B   27  A  -5.505  20.781   5.606  0.50 34.53  .    2    396
48
  ATOM  C  CG2  THR B   27  B  -5.413  20.850   7.858  0.50 34.13  .    2    397
49
  ATOM  N  N    PRO B   28  .  -3.702  17.548   8.603  1.00 18.26  .    2    398
49
  ATOM  C  CA   PRO B   28  .  -3.494  17.055   9.954  1.00 21.56  .    2    399
49
  ATOM  C  C    PRO B   28  .  -3.306  18.220  10.892  1.00 22.68  .    2    400
49
  ATOM  O  O    PRO B   28  .  -3.072  19.330  10.484  1.00 21.93  .    2    401
49
  ATOM  C  CB   PRO B   28  .  -2.249  16.209   9.808  1.00 21.60  .    2    402
49
  ATOM  C  CG   PRO B   28  .  -1.544  16.617   8.595  1.00 21.39  .    2    403
49
  ATOM  C  CD   PRO B   28  .  -2.526  17.320   7.778  1.00 14.32  .    2    404
50
  ATOM  N  N    LYS B   29  .  -3.452  17.975  12.175  1.00 26.27  .    2    405
50
  ATOM  C  CA   LYS B   29  .  -3.227  18.941  13.307  1.00 23.17  .    2    406
50
  ATOM  C  C    LYS B   29  .  -1.707  18.995  13.459  1.00 52.81  .    2    407
50
  ATOM  O  O    LYS B   29  .  -1.026  17.919  13.406  1.00 39.37  .    2    408
50
  ATOM  C  CB   LYS B   29  .  -3.764  18.417  14.615  1.00 22.26  .    2    409
50
  ATOM  C  CG   LYS B   29  .  -3.990  19.385  15.801  1.00 48.01  .    2    410
50
  ATOM  C  CD   LYS B   29  .  -5.153  18.811  16.622  1.00 37.36  .    2    411
50
  ATOM  C  CE   LYS B   29  .  -5.067  18.493  18.087  1.00 53.09  .    2    412
50
  ATOM  N  NZ   LYS B   29  .  -4.208  19.418  18.841  1.00 61.16  .    2    413
51
  ATOM  N  N    ALA B   30  .  -1.166  20.052  13.779  1.00 53.30   3   2    414
51
  ATOM  C  CA   ALA B   30  .   0.148  20.539  13.902  1.00 45.30   3   2    415
51
  ATOM  C  C    ALA B   30  .   0.991  20.467  15.167  1.00 50.30   3   2    416
51
  ATOM  O  O    ALA B   30  .   0.427  20.710  16.268  1.00 62.63   3   2    417
51
  ATOM  C  CB   ALA B   30  .   0.033  22.113  13.690  1.00 53.30   3   2    418
51
  ATOM  O  OXT  ALA B   30  .   2.226  20.205  15.000  1.00 76.30   3   2    419
51
  TER   .  .    ALA B   30  .    .       .       .      .     .    .    2    420
1
  ATOM  N  N    GLY C    1  .  -0.643  19.956 -14.073  1.00 26.16   1   1    421
1
  ATOM  C  CA   GLY C    1  .  -0.389  20.033 -12.615  1.00 30.96   1   1    422
1
  ATOM  C  C    GLY C    1  .   0.447  18.825 -12.180  1.00 33.76   1   1    423
1
  ATOM  O  O    GLY C    1  .   1.216  18.311 -13.006  1.00 21.35   1   1    424
2
  ATOM  N  N    ILE C    2  .   0.244  18.434 -10.942  1.00 23.96   1   1    425
2
  ATOM  C  CA   ILE C    2  .   1.003  17.290 -10.393  1.00 15.36   1   1    426
2
  ATOM  C  C    ILE C    2  .   0.946  16.025 -11.185  1.00 13.59   1   1    427
2
  ATOM  O  O    ILE C    2  .   1.971  15.359 -11.278  1.00 17.19   1   1    428
2
  ATOM  C  CB   ILE C    2  .   0.491  17.013  -8.931  1.00 16.47   1   1    429
2
  ATOM  C  CG1  ILE C    2  .   1.539  16.143  -8.164  1.00 15.91   1   1    430
2
  ATOM  C  CG2  ILE C    2  .  -0.969  16.533  -8.863  1.00 17.06   1   1    431
2
  ATOM  C  CD1  ILE C    2  .   1.081  15.828  -6.720  1.00 19.56   1   1    432
3
  ATOM  N  N    VAL C    3  .  -0.179  15.655 -11.786  1.00 13.55   1   1    433
3
  ATOM  C  CA   VAL C    3  .  -0.278  14.455 -12.591  1.00 17.58   1   1    434
3
  ATOM  C  C    VAL C    3  .   0.590  14.454 -13.881  1.00 21.18   1   1    435
3
  ATOM  O  O    VAL C    3  .   1.245  13.451 -14.197  1.00 19.26   1   1    436
3
  ATOM  C  CB   VAL C    3  .  -1.709  14.136 -12.915  1.00 26.49   1   1    437
3
  ATOM  C  CG1  VAL C    3  .  -1.808  12.868 -13.745  1.00 30.71   1   1    438
3
  ATOM  C  CG2  VAL C    3  .  -2.567  13.989 -11.662  1.00 16.85   1   1    439
4
  ATOM  N  N    GLU C    4  .   0.621  15.590 -14.497  1.00 24.23   1   1    440
4
  ATOM  C  CA   GLU C    4  .   1.481  15.743 -15.686  1.00 23.06   1   1    441
4
  ATOM  C  C    GLU C    4  .   2.966  15.744 -15.343  1.00 19.78   1   1    442
4
  ATOM  O  O    GLU C    4  .   3.805  15.198 -16.061  1.00 29.30   1   1    443
4
  ATOM  C  CB   GLU C    4  .   1.063  17.059 -16.361  1.00 24.43   1   1    444
4
  ATOM  C  CG   GLU C    4  .  -0.349  16.900 -16.964  1.00 19.87   1   1    445
4
  ATOM  C  CD   GLU C    4  .  -1.541  17.024 -16.030  1.00 27.93   1   1    446
4
  ATOM  O  OE1  GLU C    4  .  -2.429  16.169 -16.211  1.00 37.08   1   1    447
4
  ATOM  O  OE2  GLU C    4  .  -1.527  17.967 -15.181  1.00 27.92   1   1    448
5
  ATOM  N  N    GLN C    5  .   3.289  16.386 -14.236  1.00 17.90   1   1    449
5
  ATOM  C  CA   GLN C    5  .   4.695  16.445 -13.800  1.00 17.90   1   1    450
5
  ATOM  C  C    GLN C    5  .   5.206  15.104 -13.307  1.00 23.62   1   1    451
5
  ATOM  O  O    GLN C    5  .   6.331  14.684 -13.578  1.00 26.25   1   1    452
5
  ATOM  C  CB   GLN C    5  .   4.820  17.553 -12.780  1.00 22.64   1   1    453
5
  ATOM  C  CG   GLN C    5  .   4.373  18.969 -13.199  1.00 32.56   1   1    454
5
  ATOM  C  CD   GLN C    5  .   5.405  19.755 -12.404  1.00 59.85   1   1    455
5
  ATOM  O  OE1  GLN C    5  .   6.478  19.979 -12.947  1.00 50.22   1   1    456
5
  ATOM  N  NE2  GLN C    5  .   4.976  19.940 -11.148  1.00 56.46   1   1    457
6
  ATOM  N  N    CYS C    6  .   4.386  14.408 -12.514  1.00 20.45  .    1    458
6
  ATOM  C  CA   CYS C    6  .   4.949  13.166 -11.921  1.00 20.95  .    1    459
6
  ATOM  C  C    CYS C    6  .   4.472  11.875 -12.436  1.00 18.67  .    1    460
6
  ATOM  O  O    CYS C    6  .   5.127  10.851 -12.293  1.00 17.98  .    1    461
6
  ATOM  C  CB   CYS C    6  .   4.732  13.264 -10.354  1.00 16.76  .    1    462
6
  ATOM  S  SG   CYS C    6  .   5.416  14.719  -9.509  1.00 20.00  .    1    463
7
  ATOM  N  N    CYS C    7  .   3.347  11.802 -13.063  1.00 15.93  .    1    464
7
  ATOM  C  CA   CYS C    7  .   2.858  10.515 -13.612  1.00 10.31  .    1    465
7
  ATOM  C  C    CYS C    7  .   3.090  10.422 -15.112  1.00 27.34  .    1    466
7
  ATOM  O  O    CYS C    7  .   3.601   9.455 -15.603  1.00 24.77  .    1    467
7
  ATOM  C  CB   CYS C    7  .   1.348  10.332 -13.329  1.00 17.60  .    1    468
7
  ATOM  S  SG   CYS C    7  .   0.602   8.899 -13.976  1.00 19.30  .    1    469
8
  ATOM  N  N    THR C    8  .   2.691  11.395 -15.898  1.00 22.31  .    1    470
8
  ATOM  C  CA   THR C    8  .   2.912  11.356 -17.382  1.00 20.22  .    1    471
8
  ATOM  C  C    THR C    8  .   4.408  11.508 -17.641  1.00 29.24  .    1    472
8
  ATOM  O  O    THR C    8  .   5.051  10.716 -18.357  1.00 25.27  .    1    473
8
  ATOM  C  CB   THR C    8  .   1.993  12.487 -17.997  1.00 28.76  .    1    474
8
  ATOM  O  OG1  THR C    8  .   0.590  12.071 -17.868  1.00 41.93  .    1    475
8
  ATOM  C  CG2  THR C    8  .   2.536  12.795 -19.370  1.00 39.10  .    1    476
9
  ATOM  N  N    SER C    9  .   4.957  12.549 -16.969  1.00 23.04  .    1    477
9
  ATOM  C  CA   SER C    9  .   6.438  12.783 -17.031  1.00 23.81  .    1    478
9
  ATOM  C  C    SER C    9  .   7.038  12.104 -15.796  1.00 22.97  .    1    479
9
  ATOM  O  O    SER C    9  .   6.505  11.080 -15.351  1.00 28.36  .    1    480
9
  ATOM  C  CB   SER C    9  .   6.838  14.249 -17.258  1.00 22.96  .    1    481
9
  ATOM  O  OG   SER C    9  .   8.266  14.523 -17.319  1.00 30.96  .    1    482
10
  ATOM  N  N    ILE C   10  .   8.157  12.532 -15.274  1.00 18.48  .    1    483
10
  ATOM  C  CA   ILE C   10  .   8.820  12.068 -14.116  1.00 14.18  .    1    484
10
  ATOM  C  C    ILE C   10  .   9.162  13.268 -13.217  1.00 22.06  .    1    485
10
  ATOM  O  O    ILE C   10  .   9.398  14.336 -13.807  1.00 21.37  .    1    486
10
  ATOM  C  CB   ILE C   10  .  10.082  11.219 -14.296  1.00 14.27  .    1    487
10
  ATOM  C  CG1  ILE C   10  .  11.168  12.058 -14.941  1.00 17.05  .    1    488
10
  ATOM  C  CG2  ILE C   10  .   9.771   9.901 -15.075  1.00 23.12  .    1    489
10
  ATOM  C  CD1  ILE C   10  .  12.447  11.250 -15.181  1.00 28.86  .    1    490
11
  ATOM  N  N    CYS C   11  .   9.158  13.001 -11.897  1.00 17.73  .    1    491
11
  ATOM  C  CA   CYS C   11  .   9.488  14.178 -11.063  1.00 13.63  .    1    492
11
  ATOM  C  C    CYS C   11  .  10.301  13.733  -9.869  1.00 24.12  .    1    493
11
  ATOM  O  O    CYS C   11  .  10.238  12.518  -9.595  1.00 27.63  .    1    494
11
  ATOM  C  CB   CYS C   11  .   8.284  14.934 -10.501  1.00 24.47  .    1    495
11
  ATOM  S  SG   CYS C   11  .   7.324  13.971  -9.301  1.00 22.60  .    1    496
12
  ATOM  N  N    SER C   12  .  10.941  14.682  -9.241  1.00 20.64  .    1    497
12
  ATOM  C  CA   SER C   12  .  11.739  14.434  -8.095  1.00 19.89  .    1    498
12
  ATOM  C  C    SER C   12  .  10.978  14.612  -6.784  1.00 26.49  .    1    499
12
  ATOM  O  O    SER C   12  .   9.925  15.241  -6.843  1.00 17.94  .    1    500
12
  ATOM  C  CB   SER C   12  .  12.896  15.478  -7.911  1.00 22.13  .    1    501
12
  ATOM  O  OG   SER C   12  .  12.280  16.737  -7.889  1.00 25.55  .    1    502
13
  ATOM  N  N    LEU C   13  .  11.522  14.165  -5.654  1.00 20.92  .    1    503
13
  ATOM  C  CA   LEU C   13  .  10.827  14.392  -4.422  1.00 18.59  .    1    504
13
  ATOM  C  C    LEU C   13  .  10.811  15.860  -4.099  1.00 17.62  .    1    505
13
  ATOM  O  O    LEU C   13  .   9.865  16.311  -3.427  1.00 17.56  .    1    506
13
  ATOM  C  CB   LEU C   13  .  11.451  13.616  -3.261  1.00 24.54  .    1    507
13
  ATOM  C  CG   LEU C   13  .  11.620  12.137  -3.475  1.00 37.60  .    1    508
13
  ATOM  C  CD1  LEU C   13  .  12.386  11.586  -2.273  1.00 42.94  .    1    509
13
  ATOM  C  CD2  LEU C   13  .  10.209  11.562  -3.628  1.00 33.13  .    1    510
14
  ATOM  N  N    TYR C   14  .  11.756  16.642  -4.538  1.00 19.39  .    1    511
14
  ATOM  C  CA   TYR C   14  .  11.756  18.053  -4.253  1.00 15.81  .    1    512
14
  ATOM  C  C    TYR C   14  .  10.632  18.665  -4.977  1.00 16.49  .    1    513
14
  ATOM  O  O    TYR C   14  .  10.098  19.673  -4.517  1.00 24.31  .    1    514
14
  ATOM  C  CB   TYR C   14  .  13.061  18.792  -4.698  1.00 23.42  .    1    515
14
  ATOM  C  CG   TYR C   14  .  14.244  18.334  -3.884  1.00 22.68  .    1    516
14
  ATOM  C  CD1  TYR C   14  .  14.406  18.926  -2.643  1.00 37.43  .    1    517
14
  ATOM  C  CD2  TYR C   14  .  15.065  17.294  -4.321  1.00 44.52  .    1    518
14
  ATOM  C  CE1  TYR C   14  .  15.469  18.455  -1.806  1.00 35.18  .    1    519
14
  ATOM  C  CE2  TYR C   14  .  16.138  16.837  -3.558  1.00 39.13  .    1    520
14
  ATOM  C  CZ   TYR C   14  .  16.305  17.440  -2.304  1.00 43.24  .    1    521
14
  ATOM  O  OH   TYR C   14  .  17.325  17.067  -1.472  1.00 40.09  .    1    522
15
  ATOM  N  N    GLN C   15  .  10.286  18.189  -6.156  1.00 16.44  .    1    523
15
  ATOM  C  CA   GLN C   15  .   9.175  18.706  -6.908  1.00 13.87  .    1    524
15
  ATOM  C  C    GLN C   15  .   7.940  18.402  -6.108  1.00 16.45  .    1    525
15
  ATOM  O  O    GLN C   15  .   7.042  19.228  -6.047  1.00 17.74  .    1    526
15
  ATOM  C  CB   GLN C   15  .   9.021  18.202  -8.378  1.00 19.83  .    1    527
15
  ATOM  C  CG   GLN C   15  .  10.045  18.695  -9.368  1.00 27.50  .    1    528
15
  ATOM  C  CD   GLN C   15  .  10.002  18.165 -10.771  1.00 46.46  .    1    529
15
  ATOM  O  OE1  GLN C   15  .  10.459  17.057 -11.040  1.00 43.32  .    1    530
15
  ATOM  N  NE2  GLN C   15  .   9.456  18.889 -11.761  1.00 35.38  .    1    531
16
  ATOM  N  N    LEU C   16  .   7.841  17.245  -5.491  1.00 18.47  .    1    532
16
  ATOM  C  CA   LEU C   16  .   6.580  16.984  -4.783  1.00 17.18  .    1    533
16
  ATOM  C  C    LEU C   16  .   6.311  17.904  -3.587  1.00 21.36  .    1    534
16
  ATOM  O  O    LEU C   16  .   5.195  18.069  -3.079  1.00 17.34  .    1    535
16
  ATOM  C  CB   LEU C   16  .   6.542  15.527  -4.227  1.00 17.15  .    1    536
16
  ATOM  C  CG   LEU C   16  .   6.500  14.520  -5.341  1.00 17.53  .    1    537
16
  ATOM  C  CD1  LEU C   16  .   6.477  13.227  -4.593  1.00 22.82  .    1    538
16
  ATOM  C  CD2  LEU C   16  .   5.117  14.493  -5.991  1.00 18.33  .    1    539
17
  ATOM  N  N    GLU C   17  .   7.389  18.427  -3.040  1.00 16.47  .    1    540
17
  ATOM  C  CA   GLU C   17  .   7.353  19.319  -1.959  1.00 10.93  .    1    541
17
  ATOM  C  C    GLU C   17  .   6.614  20.601  -2.282  1.00 11.20  .    1    542
17
  ATOM  O  O    GLU C   17  .   6.183  21.310  -1.386  1.00 13.69  .    1    543
17
  ATOM  C  CB   GLU C   17  .   8.751  19.800  -1.584  1.00 16.99  .    1    544
17
  ATOM  C  CG   GLU C   17  .   9.178  18.980  -0.408  1.00 22.69  .    1    545
17
  ATOM  C  CD   GLU C   17  .  10.397  19.524   0.269  1.00 26.38  .    1    546
17
  ATOM  O  OE1  GLU C   17  .  11.270  20.013  -0.342  1.00 26.42  .    1    547
17
  ATOM  O  OE2  GLU C   17  .  10.358  19.291   1.470  1.00 30.68  .    1    548
18
  ATOM  N  N    ASN C   18  .   6.466  20.844  -3.575  1.00 13.42  .    1    549
18
  ATOM  C  CA   ASN C   18  .   5.707  22.010  -4.006  1.00 12.91  .    1    550
18
  ATOM  C  C    ASN C   18  .   4.238  21.879  -3.683  1.00 14.96  .    1    551
18
  ATOM  O  O    ASN C   18  .   3.506  22.887  -3.698  1.00 17.72  .    1    552
18
  ATOM  C  CB   ASN C   18  .   5.894  22.279  -5.506  1.00 16.62  .    1    553
18
  ATOM  C  CG   ASN C   18  .   7.286  22.755  -5.884  1.00 20.64  .    1    554
18
  ATOM  O  OD1  ASN C   18  .   7.761  22.375  -6.927  1.00 28.41  .    1    555
18
  ATOM  N  ND2  ASN C   18  .   7.836  23.540  -4.999  1.00 26.53  .    1    556
19
  ATOM  N  N    TYR C   19  .   3.683  20.717  -3.420  1.00 10.42  .    1    557
19
  ATOM  C  CA   TYR C   19  .   2.315  20.489  -3.110  1.00 11.44  .    1    558
19
  ATOM  C  C    TYR C   19  .   2.035  20.284  -1.641  1.00 19.22  .    1    559
19
  ATOM  O  O    TYR C   19  .   0.884  20.008  -1.330  1.00 14.52  .    1    560
19
  ATOM  C  CB   TYR C   19  .   1.745  19.342  -3.938  1.00 13.89  .    1    561
19
  ATOM  C  CG   TYR C   19  .   1.995  19.579  -5.394  1.00 13.15  .    1    562
19
  ATOM  C  CD1  TYR C   19  .   1.176  20.360  -6.185  1.00 15.85  .    1    563
19
  ATOM  C  CD2  TYR C   19  .   3.101  19.022  -6.004  1.00 20.18  .    1    564
19
  ATOM  C  CE1  TYR C   19  .   1.482  20.590  -7.526  1.00 15.80  .    1    565
19
  ATOM  C  CE2  TYR C   19  .   3.427  19.257  -7.342  1.00 20.94  .    1    566
19
  ATOM  C  CZ   TYR C   19  .   2.600  20.077  -8.111  1.00 16.07  .    1    567
19
  ATOM  O  OH   TYR C   19  .   2.930  20.198  -9.438  1.00 28.20  .    1    568
20
  ATOM  N  N    CYS C   20  .   2.997  20.523  -0.779  1.00 15.85  .    1    569
20
  ATOM  C  CA   CYS C   20  .   2.816  20.515   0.660  1.00 12.75  .    1    570
20
  ATOM  C  C    CYS C   20  .   2.167  21.848   1.080  1.00 18.29  .    1    571
20
  ATOM  O  O    CYS C   20  .   2.424  22.842   0.449  1.00 26.63  .    1    572
20
  ATOM  C  CB   CYS C   20  .   4.116  20.329   1.465  1.00 12.02  .    1    573
20
  ATOM  S  SG   CYS C   20  .   5.109  18.925   1.079  1.00 13.70  .    1    574
21
  ATOM  N  N    ASN C   21  .   1.396  21.899   2.168  1.00 17.14  .    1    575
21
  ATOM  C  CA   ASN C   21  .   0.814  23.152   2.677  1.00 22.18  .    1    576
21
  ATOM  C  C    ASN C   21  .   1.879  23.650   3.681  1.00 31.46  .    1    577
21
  ATOM  O  O    ASN C   21  .   2.937  22.991   3.836  1.00 44.77  .    1    578
21
  ATOM  C  CB   ASN C   21  .  -0.433  22.757   3.387  1.00 21.67  .    1    579
21
  ATOM  C  CG   ASN C   21  .  -1.636  22.166   2.742  1.00 29.17  .    1    580
21
  ATOM  O  OD1  ASN C   21  .  -2.062  22.468   1.647  1.00 33.63  .    1    581
21
  ATOM  N  ND2  ASN C   21  .  -2.242  21.277   3.591  1.00 33.21  .    1    582
21
  ATOM  O  OXT  ASN C   21  .   1.575  24.585   4.398  1.00 52.38  .    1    583
21
  TER   .  .    ASN C   21  .    .       .       .      .     .    .    1    584
22
  ATOM  N  N    PHE D    1  .  18.330  11.816  -3.893  1.00 61.50  .    2    585
22
  ATOM  C  CA   PHE D    1  .  17.047  11.272  -4.371  1.00 28.75  .    2    586
22
  ATOM  C  C    PHE D    1  .  17.165  10.885  -5.854  1.00 45.77  .    2    587
22
  ATOM  O  O    PHE D    1  .  18.169  11.137  -6.550  1.00 49.85  .    2    588
22
  ATOM  C  CB   PHE D    1  .  15.801  12.158  -4.041  1.00 30.01  .    2    589
22
  ATOM  C  CG   PHE D    1  .  16.035  12.424  -2.571  1.00 31.74  .    2    590
22
  ATOM  C  CD1  PHE D    1  .  15.980  11.294  -1.745  1.00 39.79  .    2    591
22
  ATOM  C  CD2  PHE D    1  .  16.425  13.629  -2.070  1.00 31.26  .    2    592
22
  ATOM  C  CE1  PHE D    1  .  16.219  11.375  -0.405  1.00 31.66  .    2    593
22
  ATOM  C  CE2  PHE D    1  .  16.706  13.719  -0.715  1.00 53.74  .    2    594
22
  ATOM  C  CZ   PHE D    1  .  16.609  12.612   0.115  1.00 37.15  .    2    595
23
  ATOM  N  N    VAL D    2  .  16.117  10.168  -6.274  1.00 33.71  .    2    596
23
  ATOM  C  CA   VAL D    2  .  16.006   9.666  -7.682  1.00 24.16  .    2    597
23
  ATOM  C  C    VAL D    2  .  14.648  10.218  -8.239  1.00 33.79  .    2    598
23
  ATOM  O  O    VAL D    2  .  13.733  10.588  -7.495  1.00 22.26  .    2    599
23
  ATOM  C  CB   VAL D    2  .  16.128   8.144  -7.911  1.00 27.80  .    2    600
23
  ATOM  C  CG1  VAL D    2  .  17.529   7.562  -7.875  1.00 85.81  .    2    601
23
  ATOM  C  CG2  VAL D    2  .  15.239   7.326  -6.976  1.00 36.43  .    2    602
24
  ATOM  N  N    ASN D    3  .  14.564  10.315  -9.558  1.00 19.91  .    2    603
24
  ATOM  C  CA   ASN D    3  .  13.383  10.694 -10.332  1.00 33.51  .    2    604
24
  ATOM  C  C    ASN D    3  .  12.449   9.525 -10.618  1.00 27.19  .    2    605
24
  ATOM  O  O    ASN D    3  .  12.946   8.479 -11.058  1.00 35.28  .    2    606
24
  ATOM  C  CB   ASN D    3  .  13.966  11.427 -11.571  1.00 28.03  .    2    607
24
  ATOM  C  CG   ASN D    3  .  14.214  12.869 -11.102  1.00 36.72  .    2    608
24
  ATOM  O  OD1  ASN D    3  .  14.425  13.813 -11.829  1.00 71.83  .    2    609
24
  ATOM  N  ND2  ASN D    3  .  14.114  13.118  -9.791  1.00 69.95  .    2    610
25
  ATOM  N  N    GLN D    4  .  11.128   9.652 -10.488  1.00 38.71  .    2    611
25
  ATOM  C  CA   GLN D    4  .  10.224   8.523 -10.782  1.00 30.37  .    2    612
25
  ATOM  C  C    GLN D    4  .   8.833   8.864 -11.345  1.00 13.92  .    2    613
25
  ATOM  O  O    GLN D    4  .   8.361  10.028 -11.197  1.00 25.56  .    2    614
25
  ATOM  C  CB   GLN D    4  .   9.983   7.921  -9.378  1.00 38.84  .    2    615
25
  ATOM  C  CG   GLN D    4  .  10.350   6.429  -9.194  1.00 40.71  .    2    616
25
  ATOM  C  CD   GLN D    4  .  10.515   6.248  -7.678  1.00 31.29  .    2    617
25
  ATOM  O  OE1  GLN D    4  .  10.490   5.138  -7.268  1.00 47.62  .    2    618
25
  ATOM  N  NE2  GLN D    4  .  10.697   7.383  -6.997  1.00 30.17  .    2    619
26
  ATOM  N  N    HIS D    5  .   8.291   7.803 -12.000  1.00 13.87   1   2    620
26
  ATOM  C  CA   HIS D    5  .   6.903   7.919 -12.482  1.00 16.22   1   2    621
26
  ATOM  C  C    HIS D    5  .   6.029   7.528 -11.252  1.00 16.61   1   2    622
26
  ATOM  O  O    HIS D    5  .   6.115   6.355 -10.822  1.00 21.77   1   2    623
26
  ATOM  C  CB   HIS D    5  .   6.427   7.086 -13.663  1.00 24.93   1   2    624
26
  ATOM  C  CG   HIS D    5  .   6.855   7.450 -15.054  1.00 32.91   1   2    625
26
  ATOM  N  ND1  HIS D    5  .   6.285   8.338 -15.876  1.00 31.86   1   2    626
26
  ATOM  C  CD2  HIS D    5  .   7.867   6.966 -15.822  1.00 31.55   1   2    627
26
  ATOM  C  CE1  HIS D    5  .   6.866   8.458 -17.068  1.00 28.50   1   2    628
26
  ATOM  N  NE2  HIS D    5  .   7.838   7.587 -17.015  1.00 18.29   1   2    629
27
  ATOM  N  N    LEU D    6  .   5.259   8.452 -10.792  1.00 11.23  .    2    630
27
  ATOM  C  CA   LEU D    6  .   4.302   8.232  -9.639  1.00 22.97  .    2    631
27
  ATOM  C  C    LEU D    6  .   2.854   8.566 -10.048  1.00 11.62  .    2    632
27
  ATOM  O  O    LEU D    6  .   2.505   9.705 -10.335  1.00 14.32  .    2    633
27
  ATOM  C  CB   LEU D    6  .   4.815   9.069  -8.489  1.00 16.96  .    2    634
27
  ATOM  C  CG   LEU D    6  .   6.253   8.828  -7.985  1.00 18.92  .    2    635
27
  ATOM  C  CD1  LEU D    6  .   6.828  10.000  -7.271  1.00 17.11  .    2    636
27
  ATOM  C  CD2  LEU D    6  .   6.091   7.594  -7.091  1.00 18.40  .    2    637
28
  ATOM  N  N    CYS D    7  .   2.119   7.495 -10.108  1.00 13.70  .    2    638
28
  ATOM  C  CA   CYS D    7  .   0.745   7.570 -10.582  1.00 18.64  .    2    639
28
  ATOM  C  C    CYS D    7  .  -0.288   7.058  -9.564  1.00 17.90  .    2    640
28
  ATOM  O  O    CYS D    7  .   0.016   6.138  -8.853  1.00 18.63  .    2    641
28
  ATOM  C  CB   CYS D    7  .   0.607   6.723 -11.869  1.00 31.44  .    2    642
28
  ATOM  S  SG   CYS D    7  .   1.635   7.350 -13.232  1.00 20.00  .    2    643
29
  ATOM  N  N    GLY D    8  .  -1.440   7.618  -9.644  1.00 19.94  .    2    644
29
  ATOM  C  CA   GLY D    8  .  -2.580   7.155  -8.776  1.00 18.12  .    2    645
29
  ATOM  C  C    GLY D    8  .  -2.305   7.237  -7.329  1.00  8.63  .    2    646
29
  ATOM  O  O    GLY D    8  .  -1.914   8.246  -6.763  1.00 13.74  .    2    647
30
  ATOM  N  N    SER D    9  .  -2.656   6.101  -6.694  1.00 11.65  .    2    648
30
  ATOM  C  CA   SER D    9  .  -2.483   5.997  -5.227  1.00 12.39  .    2    649
30
  ATOM  C  C    SER D    9  .  -1.032   6.120  -4.867  1.00  8.86  .    2    650
30
  ATOM  O  O    SER D    9  .  -0.760   6.584  -3.762  1.00  9.84  .    2    651
30
  ATOM  C  CB   SER D    9  .  -3.264   4.870  -4.568  1.00 14.54  .    2    652
30
  ATOM  O  OG   SER D    9  .  -2.756   3.670  -5.015  1.00 21.40  .    2    653
31
  ATOM  N  N    HIS D   10  .  -0.166   5.698  -5.800  1.00  8.91  .    2    654
31
  ATOM  C  CA   HIS D   10  .   1.270   5.805  -5.452  1.00  9.09  .    2    655
31
  ATOM  C  C    HIS D   10  .   1.755   7.227  -5.317  1.00  7.69  .    2    656
31
  ATOM  O  O    HIS D   10  .   2.658   7.481  -4.533  1.00 11.42  .    2    657
31
  ATOM  C  CB   HIS D   10  .   2.092   5.048  -6.482  1.00  8.95  .    2    658
31
  ATOM  C  CG   HIS D   10  .   1.707   3.599  -6.615  1.00  8.78  .    2    659
31
  ATOM  N  ND1  HIS D   10  .   1.951   2.701  -5.608  1.00 13.99  .    2    660
31
  ATOM  C  CD2  HIS D   10  .   1.059   2.922  -7.561  1.00 11.16  .    2    661
31
  ATOM  C  CE1  HIS D   10  .   1.536   1.530  -6.025  1.00  8.79  .    2    662
31
  ATOM  N  NE2  HIS D   10  .   0.948   1.628  -7.159  1.00 11.60  .    2    663
32
  ATOM  N  N    LEU D   11  .   1.142   8.109  -6.070  1.00  9.45  .    2    664
32
  ATOM  C  CA   LEU D   11  .   1.434   9.541  -6.053  1.00  9.98  .    2    665
32
  ATOM  C  C    LEU D   11  .   1.027  10.155  -4.729  1.00  5.91  .    2    666
32
  ATOM  O  O    LEU D   11  .   1.818  10.853  -4.084  1.00  8.83  .    2    667
32
  ATOM  C  CB   LEU D   11  .   0.815  10.196  -7.249  1.00 10.51  .    2    668
32
  ATOM  C  CG   LEU D   11  .   1.105  11.705  -7.294  1.00 13.37  .    2    669
32
  ATOM  C  CD1  LEU D   11  .   2.526  12.118  -7.270  1.00 11.72  .    2    670
32
  ATOM  C  CD2  LEU D   11  .   0.404  12.225  -8.564  1.00 16.22  .    2    671
33
  ATOM  N  N    VAL D   12  .  -0.188   9.816  -4.302  1.00  6.52  .    2    672
33
  ATOM  C  CA   VAL D   12  .  -0.534  10.395  -2.938  1.00  6.95  .    2    673
33
  ATOM  C  C    VAL D   12  .   0.207   9.758  -1.787  1.00  5.55  .    2    674
33
  ATOM  O  O    VAL D   12  .   0.467  10.475  -0.761  1.00  8.60  .    2    675
33
  ATOM  C  CB   VAL D   12  .  -2.065  10.355  -2.790  1.00 14.07  .    2    676
33
  ATOM  C  CG1  VAL D   12  .  -2.687  11.271  -3.899  1.00 16.64  .    2    677
33
  ATOM  C  CG2  VAL D   12  .  -2.636   9.010  -2.737  1.00 14.03  .    2    678
34
  ATOM  N  N    GLU D   13  .   0.681   8.537  -1.890  1.00  8.61  .    2    679
34
  ATOM  C  CA   GLU D   13  .   1.509   7.903  -0.866  1.00  7.25  .    2    680
34
  ATOM  C  C    GLU D   13  .   2.815   8.631  -0.804  1.00  7.02  .    2    681
34
  ATOM  O  O    GLU D   13  .   3.403   8.915   0.274  1.00 11.89  .    2    682
34
  ATOM  C  CB   GLU D   13  .   1.770   6.435  -1.051  1.00 11.84  .    2    683
34
  ATOM  C  CG   GLU D   13  .   0.458   5.634  -0.816  1.00 27.71  .    2    684
34
  ATOM  C  CD   GLU D   13  .   0.536   4.937   0.492  1.00 62.15  .    2    685
34
  ATOM  O  OE1  GLU D   13  .   1.499   5.094   1.172  1.00 28.12  .    2    686
34
  ATOM  O  OE2  GLU D   13  .  -0.429   4.258   0.726  1.00 32.97  .    2    687
35
  ATOM  N  N    ALA D   14  .   3.390   9.046  -1.888  1.00  9.58  .    2    688
35
  ATOM  C  CA   ALA D   14  .   4.643   9.836  -1.985  1.00 10.00  .    2    689
35
  ATOM  C  C    ALA D   14  .   4.495  11.218  -1.377  1.00 10.02  .    2    690
35
  ATOM  O  O    ALA D   14  .   5.373  11.718  -0.675  1.00 12.34  .    2    691
35
  ATOM  C  CB   ALA D   14  .   5.151   9.884  -3.366  1.00  9.23  .    2    692
36
  ATOM  N  N    LEU D   15  .   3.340  11.836  -1.609  1.00  8.93  .    2    693
36
  ATOM  C  CA   LEU D   15  .   3.014  13.121  -1.053  1.00  9.97  .    2    694
36
  ATOM  C  C    LEU D   15  .   2.968  13.020   0.450  1.00 16.23  .    2    695
36
  ATOM  O  O    LEU D   15  .   3.462  13.914   1.142  1.00 11.63  .    2    696
36
  ATOM  C  CB   LEU D   15  .   1.719  13.654  -1.641  1.00  9.29  .    2    697
36
  ATOM  C  CG   LEU D   15  .   1.771  14.340  -2.979  1.00 10.49  .    2    698
36
  ATOM  C  CD1  LEU D   15  .   0.398  14.483  -3.556  1.00 12.99  .    2    699
36
  ATOM  C  CD2  LEU D   15  .   2.487  15.663  -2.804  1.00 15.87  .    2    700
37
  ATOM  N  N    TYR D   16  .   2.313  11.974   0.938  1.00 11.90  .    2    701
37
  ATOM  C  CA   TYR D   16  .   2.254  11.791   2.374  1.00  8.84  .    2    702
37
  ATOM  C  C    TYR D   16  .   3.662  11.710   3.013  1.00 11.08  .    2    703
37
  ATOM  O  O    TYR D   16  .   3.925  12.338   4.014  1.00 10.74  .    2    704
37
  ATOM  C  CB   TYR D   16  .   1.409  10.545   2.657  1.00  8.68  .    2    705
37
  ATOM  C  CG   TYR D   16  .   1.408  10.201   4.150  1.00  9.93  .    2    706
37
  ATOM  C  CD1  TYR D   16  .   0.611  10.879   5.091  1.00 13.27  .    2    707
37
  ATOM  C  CD2  TYR D   16  .   2.232   9.163   4.535  1.00 10.34  .    2    708
37
  ATOM  C  CE1  TYR D   16  .   0.657  10.554   6.429  1.00 11.61  .    2    709
37
  ATOM  C  CE2  TYR D   16  .   2.284   8.846   5.894  1.00 17.86  .    2    710
37
  ATOM  C  CZ   TYR D   16  .   1.518   9.554   6.843  1.00 13.23  .    2    711
37
  ATOM  O  OH   TYR D   16  .   1.664   9.081   8.177  1.00 17.80  .    2    712
38
  ATOM  N  N    LEU D   17  .   4.478  10.910   2.349  1.00  9.51  .    2    713
38
  ATOM  C  CA   LEU D   17  .   5.832  10.719   2.819  1.00  8.94  .    2    714
38
  ATOM  C  C    LEU D   17  .   6.672  11.993   2.879  1.00 12.51  .    2    715
38
  ATOM  O  O    LEU D   17  .   7.395  12.298   3.853  1.00 13.68  .    2    716
38
  ATOM  C  CB   LEU D   17  .   6.573   9.683   1.932  1.00 12.01  .    2    717
38
  ATOM  C  CG   LEU D   17  .   7.784   9.141   2.606  1.00 26.75  .    2    718
38
  ATOM  C  CD1  LEU D   17  .   7.274   8.084   3.613  1.00 27.77  .    2    719
38
  ATOM  C  CD2  LEU D   17  .   8.533   8.579   1.435  1.00 36.25  .    2    720
39
  ATOM  N  N    VAL D   18  .   6.585  12.773   1.784  1.00 10.21  .    2    721
39
  ATOM  C  CA   VAL D   18  .   7.348  14.029   1.661  1.00  8.25  .    2    722
39
  ATOM  C  C    VAL D   18  .   6.789  15.099   2.514  1.00  8.01  .    2    723
39
  ATOM  O  O    VAL D   18  .   7.560  15.914   3.063  1.00 14.17  .    2    724
39
  ATOM  C  CB   VAL D   18  .   7.357  14.409   0.176  1.00  8.24  .    2    725
39
  ATOM  C  CG1  VAL D   18  .   7.683  15.903   0.006  1.00 18.17  .    2    726
39
  ATOM  C  CG2  VAL D   18  .   8.321  13.582  -0.638  1.00 16.22  .    2    727
40
  ATOM  N  N    CYS D   19  .   5.469  15.224   2.565  1.00  8.80  .    2    728
40
  ATOM  C  CA   CYS D   19  .   4.790  16.327   3.282  1.00 10.89  .    2    729
40
  ATOM  C  C    CYS D   19  .   4.550  16.076   4.760  1.00 20.41  .    2    730
40
  ATOM  O  O    CYS D   19  .   4.771  17.057   5.513  1.00 17.13  .    2    731
40
  ATOM  C  CB   CYS D   19  .   3.540  16.778   2.546  1.00 11.71  .    2    732
40
  ATOM  S  SG   CYS D   19  .   3.846  17.363   0.909  1.00 11.30  .    2    733
41
  ATOM  N  N    GLY D   20  .   4.108  14.860   5.076  1.00 15.31  .    2    734
41
  ATOM  C  CA   GLY D   20  .   3.841  14.553   6.475  1.00 18.10  .    2    735
41
  ATOM  C  C    GLY D   20  .   2.815  15.479   7.177  1.00 19.19  .    2    736
41
  ATOM  O  O    GLY D   20  .   1.669  15.721   6.770  1.00 18.72  .    2    737
42
  ATOM  N  N    GLU D   21  .   3.387  15.976   8.278  1.00 20.01  .    2    738
42
  ATOM  C  CA   GLU D   21  .   2.659  16.847   9.244  1.00 23.69  .    2    739
42
  ATOM  C  C    GLU D   21  .   2.237  18.138   8.636  1.00 19.09  .    2    740
42
  ATOM  O  O    GLU D   21  .   1.246  18.727   9.109  1.00 24.03  .    2    741
42
  ATOM  C  CB   GLU D   21  .   3.575  17.120  10.476  1.00 22.76  .    2    742
42
  ATOM  C  CG   GLU D   21  .   5.075  17.192  10.046  1.00 53.97  .    2    743
42
  ATOM  C  CD   GLU D   21  .   6.099  17.832  10.938  1.00 78.86  .    2    744
42
  ATOM  O  OE1  GLU D   21  .   5.775  18.563  11.863  1.00 73.07  .    2    745
42
  ATOM  O  OE2  GLU D   21  .   7.300  17.568  10.645  1.00 72.74  .    2    746
43
  ATOM  N  N    ARG D   22  .   2.952  18.555   7.566  1.00 15.75   2   2    747
43
  ATOM  C  CA   ARG D   22  .   2.552  19.835   6.996  1.00 21.02   2   2    748
43
  ATOM  C  C    ARG D   22  .   1.231  19.779   6.228  1.00 30.79   2   2    749
43
  ATOM  O  O    ARG D   22  .   0.558  20.740   5.955  1.00 22.02   2   2    750
43
  ATOM  C  CB   ARG D   22  .   3.613  20.247   5.973  1.00 29.63   2   2    751
43
  ATOM  C  CG   ARG D   22  .   5.024  20.325   6.450  1.00 16.81   2   2    752
43
  ATOM  C  CD   ARG D   22  .   5.952  20.706   5.309  1.00 32.57   2   2    753
43
  ATOM  N  NE   ARG D   22  A   5.584  21.912   4.554  0.50 23.88   2   2    754
43
  ATOM  N  NE   ARG D   22  B   6.663  19.518   4.827  0.50 24.77   2   2    755
43
  ATOM  C  CZ   ARG D   22  A   6.163  22.431   3.476  0.50 34.85   2   2    756
43
  ATOM  C  CZ   ARG D   22  B   7.482  19.684   3.777  0.50 11.98   2   2    757
43
  ATOM  N  NH1  ARG D   22  A   5.819  23.547   2.845  0.50 18.26   2   2    758
43
  ATOM  N  NH1  ARG D   22  B   7.547  20.848   3.124  0.50 20.33   2   2    759
43
  ATOM  N  NH2  ARG D   22  A   7.190  21.770   2.930  0.50 20.80   2   2    760
43
  ATOM  N  NH2  ARG D   22  B   8.196  18.646   3.318  0.50 20.38   2   2    761
44
  ATOM  N  N    GLY D   23  .   0.914  18.555   5.836  1.00 17.93  .    2    762
44
  ATOM  C  CA   GLY D   23  .  -0.237  18.302   4.993  1.00 12.82  .    2    763
44
  ATOM  C  C    GLY D   23  .   0.087  18.615   3.514  1.00 11.10  .    2    764
44
  ATOM  O  O    GLY D   23  .   1.137  19.102   3.198  1.00 12.49  .    2    765
45
  ATOM  N  N    PHE D   24  .  -0.903  18.290   2.672  1.00 11.76  .    2    766
45
  ATOM  C  CA   PHE D   24  .  -0.774  18.497   1.209  1.00 10.21  .    2    767
45
  ATOM  C  C    PHE D   24  .  -2.127  18.688   0.607  1.00  9.65  .    2    768
45
  ATOM  O  O    PHE D   24  .  -3.142  18.470   1.204  1.00 12.03  .    2    769
45
  ATOM  C  CB   PHE D   24  .   0.000  17.400   0.578  1.00  9.41  .    2    770
45
  ATOM  C  CG   PHE D   24  .  -0.602  16.046   0.597  1.00  9.89  .    2    771
45
  ATOM  C  CD1  PHE D   24  .  -0.280  15.182   1.648  1.00 12.55  .    2    772
45
  ATOM  C  CD2  PHE D   24  .  -1.497  15.657  -0.387  1.00 12.14  .    2    773
45
  ATOM  C  CE1  PHE D   24  .  -0.863  13.901   1.714  1.00 19.03  .    2    774
45
  ATOM  C  CE2  PHE D   24  .  -2.049  14.388  -0.368  1.00 12.53  .    2    775
45
  ATOM  C  CZ   PHE D   24  .  -1.737  13.486   0.692  1.00 14.23  .    2    776
46
  ATOM  N  N    PHE D   25  .  -2.070  19.069  -0.693  1.00  8.89   1   2    777
46
  ATOM  C  CA   PHE D   25  .  -3.285  19.185  -1.469  1.00 10.03   1   2    778
46
  ATOM  C  C    PHE D   25  .  -3.021  18.326  -2.724  1.00  9.84   1   2    779
46
  ATOM  O  O    PHE D   25  .  -1.918  18.362  -3.216  1.00 12.46   1   2    780
46
  ATOM  C  CB   PHE D   25  .  -3.686  20.613  -1.925  1.00 10.32   1   2    781
46
  ATOM  C  CG   PHE D   25  .  -2.567  21.455  -2.479  1.00 14.41   1   2    782
46
  ATOM  C  CD1  PHE D   25  .  -2.435  21.546  -3.850  1.00 20.47   1   2    783
46
  ATOM  C  CD2  PHE D   25  .  -1.647  22.070  -1.651  1.00 14.83   1   2    784
46
  ATOM  C  CE1  PHE D   25  .  -1.470  22.321  -4.476  1.00 13.89   1   2    785
46
  ATOM  C  CE2  PHE D   25  .  -0.608  22.775  -2.271  1.00 20.12   1   2    786
46
  ATOM  C  CZ   PHE D   25  .  -0.558  22.880  -3.660  1.00 13.72   1   2    787
47
  ATOM  N  N    TYR D   26  .  -3.962  17.546  -3.192  1.00 10.77  .    2    788
47
  ATOM  C  CA   TYR D   26  .  -3.915  16.723  -4.366  1.00  8.24  .    2    789
47
  ATOM  C  C    TYR D   26  .  -5.013  17.222  -5.272  1.00 11.68  .    2    790
47
  ATOM  O  O    TYR D   26  .  -6.209  17.040  -5.011  1.00 12.49  .    2    791
47
  ATOM  C  CB   TYR D   26  .  -4.090  15.233  -4.010  1.00 12.91  .    2    792
47
  ATOM  C  CG   TYR D   26  .  -4.159  14.291  -5.196  1.00 13.37  .    2    793
47
  ATOM  C  CD1  TYR D   26  .  -5.379  13.599  -5.455  1.00 12.94  .    2    794
47
  ATOM  C  CD2  TYR D   26  .  -3.138  14.227  -6.110  1.00 12.82  .    2    795
47
  ATOM  C  CE1  TYR D   26  .  -5.491  12.770  -6.582  1.00 18.45  .    2    796
47
  ATOM  C  CE2  TYR D   26  .  -3.289  13.401  -7.216  1.00 14.97  .    2    797
47
  ATOM  C  CZ   TYR D   26  .  -4.390  12.679  -7.390  1.00 16.87  .    2    798
47
  ATOM  O  OH   TYR D   26  .  -4.411  11.849  -8.508  1.00 19.99  .    2    799
48
  ATOM  N  N    THR D   27  .  -4.639  17.933  -6.342  1.00 10.07  .    2    800
48
  ATOM  C  CA   THR D   27  .  -5.563  18.555  -7.264  1.00 15.24  .    2    801
48
  ATOM  C  C    THR D   27  .  -5.254  18.120  -8.704  1.00 16.10  .    2    802
48
  ATOM  O  O    THR D   27  .  -4.545  18.821  -9.404  1.00 18.07  .    2    803
48
  ATOM  C  CB   THR D   27  .  -5.536  20.114  -7.048  1.00 16.40  .    2    804
48
  ATOM  O  OG1  THR D   27  .  -4.178  20.585  -6.974  1.00 19.93  .    2    805
48
  ATOM  C  CG2  THR D   27  .  -6.181  20.408  -5.709  1.00 16.74  .    2    806
49
  ATOM  N  N    PRO D   28  .  -5.766  17.035  -9.149  1.00 11.98  .    2    807
49
  ATOM  C  CA   PRO D   28  .  -5.571  16.537 -10.477  1.00 13.55  .    2    808
49
  ATOM  C  C    PRO D   28  .  -6.105  17.452 -11.585  1.00 21.64  .    2    809
49
  ATOM  O  O    PRO D   28  .  -5.471  17.453 -12.635  1.00 24.41  .    2    810
49
  ATOM  C  CB   PRO D   28  .  -6.192  15.163 -10.479  1.00 21.77  .    2    811
49
  ATOM  C  CG   PRO D   28  .  -6.813  14.874  -9.135  1.00 18.60  .    2    812
49
  ATOM  C  CD   PRO D   28  .  -6.687  16.109  -8.343  1.00 11.54  .    2    813
50
  ATOM  N  N    LYS D   29  .  -7.103  18.249 -11.346  1.00 18.85   2   2    814
50
  ATOM  C  CA   LYS D   29  .  -7.647  19.148 -12.397  1.00 21.86   2   2    815
50
  ATOM  C  C    LYS D   29  .  -6.782  20.313 -12.719  1.00 25.32   2   2    816
50
  ATOM  O  O    LYS D   29  .  -6.944  20.988 -13.739  1.00 28.67   2   2    817
50
  ATOM  C  CB   LYS D   29  .  -9.020  19.689 -11.971  1.00 37.73   2   2    818
50
  ATOM  C  CG   LYS D   29  A -10.118  18.678 -12.365  0.50 26.24   2   2    819
50
  ATOM  C  CG   LYS D   29  B  -9.869  20.535 -12.933  0.50 51.60   2   2    820
50
  ATOM  C  CD   LYS D   29  A -11.261  18.659 -11.369  0.50 25.69   2   2    821
50
  ATOM  C  CD   LYS D   29  B -11.094  21.211 -12.318  0.50 26.73   2   2    822
50
  ATOM  C  CE   LYS D   29  A -12.315  17.615 -11.670  0.50 22.42   2   2    823
50
  ATOM  C  CE   LYS D   29  B -12.076  21.723 -13.345  0.50 41.26   2   2    824
50
  ATOM  N  NZ   LYS D   29  A -13.648  18.108 -11.182  0.50 39.07   2   2    825
50
  ATOM  N  NZ   LYS D   29  B -13.280  22.348 -12.731  0.50 38.89   2   2    826
51
  ATOM  N  N    ALA D   30  .  -5.874  20.552 -11.809  1.00 17.54  .    2    827
51
  ATOM  C  CA   ALA D   30  .  -5.022  21.709 -11.876  1.00 15.58  .    2    828
51
  ATOM  C  C    ALA D   30  .  -3.942  21.534 -12.910  1.00 35.26  .    2    829
51
  ATOM  O  O    ALA D   30  .  -3.347  20.451 -13.025  1.00 37.09  .    2    830
51
  ATOM  C  CB   ALA D   30  .  -4.392  21.978 -10.527  1.00 32.86  .    2    831
51
  ATOM  O  OXT  ALA D   30  .  -3.822  22.597 -13.538  1.00 43.22  .    2    832
51
  TER   .  .    ALA D   30  .    .       .       .      .     .    .    2    833
. HETA ZN ZN     ZN .    1  .  -0.002  -0.004   7.891  0.33 10.40  .    5    834
. HETA ZN ZN     ZN .    2  .   0.000   0.000  -8.039  0.33 11.00  .    5    835
. HETA  O  O    HOH .   18  .   1.208   0.917  -0.239  1.00 44.11  .    6    836
. HETA  O  O    HOH .   19  .  26.674   0.029   0.118  1.00 64.26  .    6    837
. HETA  O  O    HOH .   11  .  13.443  19.181   0.629  1.00 37.18  .    6    838
. HETA  O  O    HOH .   12  .   8.897  22.662   0.833  0.50 72.59  .    6    839
. HETA  O  O    HOH .   13  .   5.430   4.632   0.353  0.50 68.27  .    6    840
. HETA  O  O    HOH .   14  .  -9.600  22.800   0.340  1.00 86.30  .    6    841
. HETA  O  O    HOH .   21  . -11.312  20.399   0.771  1.00 76.27  .    6    842
. HETA  O  O    HOH .   22  .  10.779  23.846   1.400  0.50 44.66  .    6    843
. HETA  O  O    HOH .   15  .  14.910  22.149   0.107  1.00 64.34  .    6    844
. HETA  O  O    HOH .   41  .   3.208   6.718   2.188  1.00 44.14  .    6    845
. HETA  O  O    HOH .   42  .  15.228  18.988   2.773  1.00 47.95  .    6    846
. HETA  O  O    HOH .   51  .   1.948   1.415   2.000  1.00 83.31  .    6    847
. HETA  O  O    HOH .   52  . -12.203  23.328   2.558  0.50 53.25  .    6    848
. HETA  O  O    HOH .   61  .   3.289   3.437   2.898  1.00 29.40  .    6    849
. HETA  O  O    HOH .   62  .  -0.463   3.085   2.990  1.00 35.04  .    6    850
. HETA  O  O    HOH .   63  .  10.311  22.834   3.121  0.50 53.93  .    6    851
. HETA  O  O    HOH .   64  .  10.183  24.198   3.002  0.50 47.80  .    6    852
. HETA  O  O    HOH .   65  .  23.650   0.900   3.000  1.00 86.30  .    6    853
. HETA  O  O    HOH .   71  .   8.256  18.783   3.330  0.50 14.13  .    6    854
. HETA  O  O    HOH .   72  .   0.000   0.000   2.721  0.33 78.41  .    6    855
. HETA  O  O    HOH .   73  .  -5.500  23.300   3.200  1.00 76.30  .    6    856
. HETA  O  O    HOH .   74  . -10.414  20.888   3.177  1.00 46.17  .    6    857
. HETA  O  O    HOH .   75  .   5.786   4.688   3.296  1.00 79.24  .    6    858
. HETA  O  O    HOH .   76  .  12.041  23.097   3.478  0.50 31.09  .    6    859
. HETA  O  O    HOH .  101  .  -9.400  22.600   4.900  0.50 52.19  .    6    860
. HETA  O  O    HOH .   91  .   9.781  13.999   4.347  1.00 38.00  .    6    861
. HETA  O  O    HOH .   92  .  14.487  19.051   4.963  0.50 47.26  .    6    862
. HETA  O  O    HOH .   94  .  24.800   2.000   4.680  1.00 50.76  .    6    863
. HETA  O  O    HOH .   95  .   1.700  14.430   4.490  1.00 60.70  .    6    864
. HETA  O  O    HOH .  111  .  -7.624  16.101   5.527  1.00 25.99  .    6    865
. HETA  O  O    HOH .  113  .   4.071   5.888   5.145  1.00 60.78  .    6    866
. HETA  O  O    HOH .  112  .  12.744  23.426   5.604  0.50 40.09  .    6    867
. HETA  O  O    HOH .  115  .  10.354  21.084   4.829  0.50 33.95  .    6    868
. HETA  O  O    HOH .  116  .  12.369  21.475   5.162  0.50 61.18  .    6    869
. HETA  O  O    HOH .  122  .  -9.100  20.600   6.100  0.50 60.00  .    6    870
. HETA  O  O    HOH .  123  .  -8.768  19.973   5.675  0.50 51.16  .    6    871
. HETA  O  O    HOH .  131  .  13.100  13.724   6.029  1.00 21.23  .    6    872
. HETA  O  O    HOH .  132  .  -7.991  22.590   6.582  0.50 57.20  .    6    873
. HETA  O  O    HOH .  133  . -12.272  21.574   6.100  1.00 55.48  .    6    874
. HETA  O  O    HOH .  141  .  -2.652  21.385   6.534  1.00 64.51  .    6    875
. HETA  O  O    HOH .  142  .  25.212   3.031   6.890  1.00 49.58  .    6    876
. HETA  O  O    HOH .  143  .  10.600  10.100   6.800  0.50 50.00  .    6    877
. HETA  O  O    HOH .  146  .  11.191  23.508   6.621  0.50 37.26  .    6    878
. HETA  O  O    HOH .  151  .  14.528  16.192   7.070  1.00 51.29  .    6    879
. HETA  O  O    HOH .  152  .   1.492  23.231   6.892  0.50 27.00  .    6    880
. HETA  O  O    HOH .  155  .  14.502  18.882   6.980  0.50 59.76  .    6    881
. HETA  O  O    HOH .  156  .  -9.484  23.456   7.067  0.50 41.28  .    6    882
. HETA  O  O    HOH .  161  .   1.228   4.480   7.603  1.00 34.42  .    6    883
. HETA  O  O    HOH .  162  .   0.172  22.959   7.609  0.50 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  0.50 71.16  .    6    886
. HETA  O  O    HOH .  145  .  11.200  20.200   6.480  0.50 43.34  .    6    887
. HETA  O  O    HOH .  147  .   9.467  21.709   6.550  0.50 60.52  .    6    888
. HETA  O  O    HOH .  165  .  12.911  19.857   7.882  0.50 41.83  .    6    889
. HETA  O  O    HOH .  166  .   5.794  10.580   7.551  0.50 18.82  .    6    890
. HETA  O  O    HOH .  171  .  -3.193  10.008   8.356  1.00 20.33  .    6    891
. HETA  O  O    HOH .  172  .   3.540   5.186   7.514  1.00 50.94  .    6    892
. HETA  O  O    HOH .  173  .  -2.600  23.100   8.100  0.50 37.93  .    6    893
. HETA  O  O    HOH .  174  .  24.906   0.400   8.400  1.00 59.59  .    6    894
. HETA  O  O    HOH .  175  .  22.962   4.308   7.971  1.00 75.46  .    6    895
. HETA  O  O    HOH .  181  .   3.162  12.350   8.534  1.00 60.02  .    6    896
. HETA  O  O    HOH .  182  .   6.986  23.533   8.608  0.50 42.86  .    6    897
. HETA  O  O    HOH .  183  .   7.747  22.514   8.736  0.50 51.31  .    6    898
. HETA  O  O    HOH .  184  .  11.350  23.300   9.170  1.00 50.61  .    6    899
. HETA  O  O    HOH .  185  .  13.640  22.500   8.400  1.00 61.09  .    6    900
. HETA  O  O    HOH .  186  .   5.402   7.037   8.018  1.00 76.30  .    6    901
. HETA  O  O    HOH .  191  .  -9.443  20.240   8.418  0.50 46.63  .    6    902
. HETA  O  O    HOH .  193  .  21.200   5.800   9.000  1.00 46.66  .    6    903
. HETA  O  O    HOH .  194  .  -0.559  20.337   9.227  0.50 31.04  .    6    904
. HETA  O  O    HOH .  201  .  -0.074   1.535   9.452  1.00 25.97  .    6    905
. HETA  O  O    HOH .  202  .  18.617  13.600   9.207  1.00 29.22  .    6    906
. HETA  O  O    HOH .  203  .   0.475  13.399   9.000  1.00 61.33  .    6    907
. HETA  O  O    HOH .  204  .   2.956   7.356   9.255  1.00 37.48  .    6    908
. HETA  O  O    HOH .  205  .  11.907  19.705   9.066  0.50 35.59  .    6    909
. HETA  O  O    HOH .  206  .  16.094  16.073   9.932  1.00 48.31  .    6    910
. HETA  O  O    HOH .  207  .  -8.473  18.398   9.204  0.50 34.10  .    6    911
. HETA  O  O    HOH .  208  .  13.482  17.840   9.054  1.00 66.41  .    6    912
. HETA  O  O    HOH .  209  .   4.832  22.586  10.697  0.50 41.13  .    6    913
. HETA  O  O    HOH .  211  .   4.499   3.274   9.801  1.00 21.36  .    6    914
. HETA  O  O    HOH .  212  .   9.900  19.400  10.176  1.00 57.45  .    6    915
. HETA  O  O    HOH .  213  .  -9.814  18.858  10.172  0.50 36.40  .    6    916
. HETA  O  O    HOH .  214  .   8.300  21.900   9.770  0.50 62.82  .    6    917
. HETA  O  O    HOH .  215  .   5.531  14.046   9.251  1.00 53.12  .    6    918
. HETA  O  O    HOH .  216  .   0.500  21.500   9.739  0.50 40.73  .    6    919
. HETA  O  O    HOH .  217  .  24.500   1.839  10.261  0.50 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  22.800  10.020  0.50 40.98  .    6    922
. HETA  O  O    HOH .  221  .  -5.367   9.301  10.390  1.00 29.29  .    6    923
. HETA  O  O    HOH .  222  .   5.099  10.014  10.625  1.00 39.93  .    6    924
. HETA  O  O    HOH .  223  .   3.402  22.242  10.235  0.50 38.69  .    6    925
. HETA  O  O    HOH .  224  .   0.786  10.457  10.424  0.50 27.11  .    6    926
. HETA  O  O    HOH .  225  .   7.099  20.641  10.117  0.50 45.52  .    6    927
. HETA  O  O    HOH .  226  .   1.327   5.583  11.052  0.50 56.24  .    6    928
. HETA  O  O    HOH .  227  . -11.769  21.611  10.650  0.50 56.71  .    6    929
. HETA  O  O    HOH .  228  .  -9.990  20.281  10.186  0.50 56.19  .    6    930
. HETA  O  O    HOH .  231  .  -7.077  17.022  11.114  1.00 24.63  .    6    931
. HETA  O  O    HOH .  232  .  10.114  17.143  11.048  1.00 38.47  .    6    932
. HETA  O  O    HOH .  233  .  13.122  21.921  10.724  0.50 29.51  .    6    933
. HETA  O  O    HOH .  234  .  -8.631  22.492  11.840  0.50 43.99  .    6    934
. HETA  O  O    HOH .  235  .  24.000   4.400  11.200  1.00 63.61  .    6    935
. HETA  O  O    HOH .  241  .   0.397   4.490  11.763  0.50 23.04  .    6    936
. HETA  O  O    HOH .  242  .  20.200   6.301  11.100  1.00 62.49  .    6    937
. HETA  O  O    HOH .  243  .  -6.059  22.694  11.492  1.00 61.96  .    6    938
. HETA  O  O    HOH .  244  .   2.400   0.700  11.139  1.00 63.37  .    6    939
. HETA  O  O    HOH .  245  .   1.431   8.001  10.900  1.00 61.63  .    6    940
. HETA  O  O    HOH .  246  .   0.589  13.731  11.296  0.50 60.20  .    6    941
. HETA  O  O    HOH .  247  .  -0.216  11.635  11.240  0.50 52.12  .    6    942
. HETA  O  O    HOH .  249  .   3.575  13.150  11.256  0.50 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  1.00 60.07  .    6    945
. HETA  O  O    HOH .  253  .   9.246  23.287  11.503  1.00 45.58  .    6    946
. HETA  O  O    HOH .  254  .  -5.435  20.514  11.630  1.00 51.70  .    6    947
. HETA  O  O    HOH .  255  .  13.713  17.818  11.963  1.00 66.30  .    6    948
. HETA  O  O    HOH .  256  .  16.125  12.139  12.240  1.00 50.03  .    6    949
. HETA  O  O    HOH .  257  .  12.904  20.420  11.491  0.50 30.82  .    6    950
. HETA  O  O    HOH .  258  .  22.345   2.177  11.300  1.00 53.69  .    6    951
. HETA  O  O    HOH .  261  .  -1.821   8.684  12.044  1.00 36.04  .    6    952
. HETA  O  O    HOH .  262  .   2.938   2.622  12.785  1.00 45.76  .    6    953
. HETA  O  O    HOH .  263  .   3.200   8.800  12.200  1.00 58.95  .    6    954
. HETA  O  O    HOH .  271  .   6.250  11.753  12.889  1.00 50.22  .    6    955
. HETA  O  O    HOH .  272  .  12.623  23.254  12.208  0.50 36.01  .    6    956
. HETA  O  O    HOH .  273  .   6.083  21.437  12.952  0.50 45.78  .    6    957
. HETA  O  O    HOH .  274  .  15.629  16.552  13.704  1.00 54.02  .    6    958
. HETA  O  O    HOH .  275  .   4.207  21.400  12.867  0.50 42.63  .    6    959
. HETA  O  O    HOH .  276  .   1.400  10.000  13.205  1.00 62.38  .    6    960
. HETA  O  O    HOH .  281  .  -1.805  14.585  13.563  1.00 36.72  .    6    961
. HETA  O  O    HOH .  282  .  10.681  15.953  13.460  1.00 37.62  .    6    962
. HETA  O  O    HOH .  283  .   3.526  17.510  13.393  0.50 58.59  .    6    963
. HETA  O  O    HOH .  284  .   4.989  14.660  13.137  1.00 52.11  .    6    964
. HETA  O  O    HOH .  285  .  -3.059  10.929  12.998  0.50 54.91  .    6    965
. HETA  O  O    HOH .  286  .  -8.655  24.051   2.000  1.00 56.40  .    6    966
. HETA  O  O    HOH .  287  .  17.589  14.886  12.994  0.50 46.92  .    6    967
. HETA  O  O    HOH .  288  .  -2.700  22.200  12.300  1.00 69.61  .    6    968
. HETA  O  O    HOH .  289  .  -7.400  20.900  13.300  1.00 82.49  .    6    969
. HETA  O  O    HOH .  291  .   7.840  13.593  13.240  1.00 36.77  .    6    970
. HETA  O  O    HOH .  277  .   8.436  16.103  13.124  0.50 66.40  .    6    971
. HETA  O  O    HOH .  292  .  20.767   2.758  14.127  0.50 49.50  .    6    972
. HETA  O  O    HOH .  278  .  19.461   3.175  13.236  0.50 43.30  .    6    973
. HETA  O  O    HOH .  293  .  10.600  21.200  12.800  1.00 65.41  .    6    974
. HETA  O  O    HOH .  294  .  17.091  12.037  14.424  1.00 66.30  .    6    975
. HETA  O  O    HOH .  295  .  26.230   1.151  12.982  0.50 42.97  .    6    976
. HETA  O  O    HOH .  296  .   1.000  16.700  13.200  1.00 45.00  .    6    977
. HETA  O  O    HOH .  297  .  -1.841   2.626  14.104  1.00 47.47  .    6    978
. HETA  O  O    HOH .  298  .   8.200  19.886  13.338  1.00 59.62  .    6    979
. HETA  O  O    HOH .  299  .   3.947  18.704  13.926  0.50 87.22  .    6    980
. HETA  O  O    HOH .  301  .   3.000   8.250  14.500  1.00 39.38  .    6    981
. HETA  O  O    HOH .  306  .  23.669   1.157  13.223  1.00 49.56  .    6    982
. HETA  O  O    HOH .  307  .   6.706  17.656  14.200  1.00 62.44  .    6    983
. HETA  O  O    HOH .  308  . -10.436  21.800  14.703  1.00 82.89  .    6    984
. HETA  O  O    HOH .  302  .  21.660   8.100  14.400  1.00 78.85  .    6    985
. HETA  O  O    HOH .  303  .  16.002  14.165  14.204  0.50 36.21  .    6    986
. HETA  O  O    HOH .  311  .  18.624   9.971  14.472  1.00 68.09  .    6    987
. HETA  O  O    HOH .  312  .  12.345  18.363  14.320  1.00 61.52  .    6    988
. HETA  O  O    HOH .  314  .  15.375  13.331  15.234  0.50 38.87  .    6    989
. HETA  O  O    HOH .  315  .   8.900  16.074  15.111  0.50 56.02  .    6    990
. HETA  O  O    HOH .  316  .  -8.811  19.800  14.800  1.00 84.33  .    6    991
. HETA  O  O    HOH .  319  .   9.800  20.500  15.000  0.50 37.74  .    6    992
. HETA  O  O    HOH .  321  .  -0.629   5.214  14.504  1.00 52.63  .    6    993
. HETA  O  O    HOH .  305  .   0.063   7.371  13.477  0.50 44.43  .    6    994
. HETA  O  O    HOH .  322  .   4.331  21.351  15.200  1.00 48.37  .    6    995
. HETA  O  O    HOH .  324  .  20.471   6.314  15.326  0.50 42.47  .    6    996
. HETA  O  O    HOH .  325  .  15.956  10.347  15.577  1.00 73.09  .    6    997
. HETA  O  O    HOH .  326  .   4.166  16.122  15.117  1.00 64.59  .    6    998
. HETA  O  O    HOH .  331  .  -3.496  10.462  15.323  1.00 41.57  .    6    999
. HETA  O  O    HOH .  333  .  22.179   1.588  16.322  1.00 60.14  .    6   1000
. HETA  O  O    HOH .  334  .   7.227  21.575  16.034  1.00 79.51  .    6   1001
. HETA  O  O    HOH .  335  .  24.987   3.024  15.000  0.50 77.50  .    6   1002
. HETA  O  O    HOH .  341  .   0.000   0.000  15.940  0.33 48.19  .    6   1003
. HETA  O  O    HOH .  342  .   2.058   1.124  15.886  0.50 57.48  .    6   1004
. HETA  O  O    HOH .  343  .  -1.885  13.663  16.148  1.00 61.43  .    6   1005
. HETA  O  O    HOH .  344  .  -3.119  22.865  15.776  1.00 59.24  .    6   1006
. HETA  O  O    HOH .  345  .  19.200   4.000  16.256  1.00 52.18  .    6   1007
. HETA  O  O    HOH .  346  .  14.044  21.773  15.730  0.50 35.08  .    6   1008
. HETA  O  O    HOH .  347  .   1.900   3.400  16.729  1.00 42.63  .    6   1009
. HETA  O  O    HOH .  349  .  14.400  17.800  15.886  0.50 52.96  .    6   1010
. HETA  O  O    HOH .  336  .  13.700  15.600  15.000  1.00 65.01  .    6   1011
. HETA  O  O    HOH .  351  .   2.100   6.200  15.800  1.00 73.63  .    6   1012
. HETA  O  O    HOH .  352  .  13.105  18.675  16.692  0.50 57.75  .    6   1013
. HETA  O  O    HOH .  355  .   5.384   1.947  16.328  1.00 52.83  .    6   1014
. HETA  O  O    HOH .  356  .  19.387   1.649  16.538  1.00 38.74  .    6   1015
. HETA  O  O    HOH .  357  .   6.570  18.429  16.505  1.00 50.65  .    6   1016
. HETA  O  O    HOH .  358  . -11.760  21.100  16.700  0.50 40.14  .    6   1017
. HETA  O  O    HOH .  359  .  18.269   7.536  16.565  1.00 60.44  .    6   1018
. HETA  O  O    HOH .  350  .  16.961  12.601  17.169  1.00 81.43  .    6   1019
. HETA  O  O    HOH .  354  .  19.266  10.576  17.790  1.00 63.02  .    6   1020
. HETA  O  O    HOH .  361  .  -2.564   5.638  17.137  1.00 48.33  .    6   1021
. HETA  O  O    HOH .  362  .  -3.814  12.169  17.184  1.00 40.38  .    6   1022
. HETA  O  O    HOH .  363  .  21.336   8.539  16.849  1.00 46.39  .    6   1023
. HETA  O  O    HOH .  364  .  11.361  23.312  16.935  1.00 56.56  .    6   1024
. HETA  O  O    HOH .  365  .  11.482  20.115  16.180  0.50 36.42  .    6   1025
. HETA  O  O    HOH .  366  .  10.431  19.608  16.704  0.50 61.59  .    6   1026
. HETA  O  O    HOH .  367  .  -0.459  10.100  16.800  1.00 96.03  .    6   1027
. HETA  O  O    HOH .  368  .  -5.600  22.740  16.755  0.50 60.98  .    6   1028
. HETA  O  O    HOH .  369  .  22.701   4.882  16.533  0.50 59.04  .    6   1029
. HETA  O  O    HOH .  360  .  -0.559   7.125  16.712  1.00 55.39  .    6   1030
. HETA  O  O    HOH .  370  .  22.349   3.895  16.628  0.50 44.55  .    6   1031
. HETA  O  O    HOH .  379  .  24.254   2.529  17.221  0.50 64.98  .    6   1032
. HETA  O  O    HOH .  371  .  -8.270  20.622  17.537  0.50 29.13  .    6   1033
. HETA  O  O    HOH .  376  .  -7.614  21.771  17.400  0.50 39.65  .    6   1034
. HETA  O  O    HOH .  372  .  17.313  15.074  17.581  1.00 53.72  .    6   1035
. HETA  O  O    HOH .  374  .  -1.700  21.227  17.206  1.00 50.32  .    6   1036
. HETA  O  O    HOH .  375  .  16.509   9.562  17.812  1.00 54.16  .    6   1037
. HETA  O  O    HOH .  377  .  -7.800  16.300  17.668  1.00 75.77  .    6   1038
. HETA  O  O    HOH .  381  .   4.677  20.377  17.882  1.00 49.25  .    6   1039
. HETA  O  O    HOH .  382  .  17.535   3.747  17.792  1.00 51.88  .    6   1040
. HETA  O  O    HOH .  383  .  -2.265   8.874  17.970  1.00 48.81  .    6   1041
. HETA  O  O    HOH .  386  .  -8.894  18.338  17.943  1.00 51.71  .    6   1042
. HETA  O  O    HOH .  387  .   0.500   3.000  18.600  0.50 35.00  .    6   1043
. HETA  O  O    HOH .  388  .   6.000   4.100  17.800  1.00 50.00  .    6   1044
. HETA  O  O    HOH .  390  .   2.700   3.900  19.000  0.50 40.00  .    6   1045
. HETA  O  O    HOH .  391  .   2.992   5.257  18.400  0.50 40.00  .    6   1046
. HETA  O  O    HOH .  389  .  22.320   6.616  18.376  1.00 76.30  .    6   1047
. HETA  O  O    HOH .  378  .  14.300  15.147  17.400  0.50 41.41  .    6   1048
. HETA  O  O    HOH .  392  .  12.379  14.000  18.485  1.00 69.21  .    6   1049
. HETA  O  O    HOH .  394  .  26.585   1.034  18.302  1.00 72.39  .    6   1050
. HETA  O  O    HOH .  395  .  15.048   0.586  18.649  0.50 27.91  .    6   1051
. HETA  O  O    HOH .  396  .  24.664   3.165  18.640  0.50 55.98  .    6   1052
. HETA  O  O    HOH .  397  .  16.000   6.400  18.500  1.00 75.03  .    6   1053
. HETA  O  O    HOH .  401  .  -4.837  15.671  19.009  1.00 33.67  .    6   1054
. HETA  O  O    HOH .  402  .  -1.199  22.838  19.138  1.00 36.10  .    6   1055
. HETA  O  O    HOH .  403  .   1.686  21.194  18.890  1.00 36.62  .    6   1056
. HETA  O  O    HOH .  404  .   7.587  19.898  18.900  1.00 74.10  .    6   1057
. HETA  O  O    HOH .  405  .  23.636   0.400  18.433  0.50 38.58  .    6   1058
. HETA  O  O    HOH .  407  .   7.200   0.000  19.364  1.00 80.00  .    6   1059
. HETA  O  O    HOH .  408  .  12.325  20.187  18.584  1.00 76.30  .    6   1060
. HETA  O  O    HOH .  409  .   8.868  21.918  18.717  1.00 88.44  .    6   1061
. HETA  O  O    HOH .  411  .  -5.300  12.855  19.148  1.00 51.00  .    6   1062
. HETA  O  O    HOH .  412  .   4.000   0.889  19.161  1.00 56.19  .    6   1063
. HETA  O  O    HOH .  413  .  11.500  16.200  18.500  1.00 54.59  .    6   1064
. HETA  O  O    HOH .  414  .  15.033  14.600  19.135  0.50 40.58  .    6   1065
. HETA  O  O    HOH .  415  .  16.700  11.300  19.500  0.50 53.18  .    6   1066
. HETA  O  O    HOH .  421  .   4.304  23.913   8.300  1.00 56.36  .    6   1067
. HETA  O  O    HOH .  422  .  17.595   8.307  19.856  1.00 43.95  .    6   1068
. HETA  O  O    HOH .  423  .   8.460  17.052  19.897  1.00 58.87  .    6   1069
. HETA  O  O    HOH .  424  .  11.600  18.400  20.000  1.00 60.00  .    6   1070
. HETA  O  O    HOH .  425  .  -9.409  23.116  19.633  1.00 66.30  .    6   1071
. HETA  O  O    HOH .  428  .   7.200   3.000  19.668  1.00 79.22  .    6   1072
. HETA  O  O    HOH .  429  .  21.000   4.000  19.956  1.00 59.41  .    6   1073
. HETA  O  O    HOH .  420  .  -0.800   4.800  19.700  1.00 50.00  .    6   1074
. HETA  O  O    HOH .  431  .  13.592   4.017  20.054  1.00 43.20  .    6   1075
. HETA  O  O    HOH .  432  .  -0.400   2.600  20.000  0.50 40.00  .    6   1076
. HETA  O  O    HOH .  433  .  19.480   6.217  19.797  1.00 62.99  .    6   1077
. HETA  O  O    HOH .  435  .  20.876   1.574  20.116  0.50 41.62  .    6   1078
. HETA  O  O    HOH .  437  .  18.870   3.203  20.295  1.00 65.25  .    6   1079
. HETA  O  O    HOH .  438  .  22.043   8.448  20.602  0.50 38.02  .    6   1080
. HETA  O  O    HOH .  439  .  15.420   7.740  20.813  1.00 61.77  .    6   1081
. HETA  O  O    HOH .  441  .  14.400  19.900  20.800  1.00 46.45  .    6   1082
. HETA  O  O    HOH .  442  .   8.900   4.300  20.900  1.00 66.62  .    6   1083
. HETA  O  O    HOH .  443  .  12.900   7.700  20.600  1.00 50.81  .    6   1084
. HETA  O  O    HOH .  444  .  23.373   3.907  20.784  0.50 37.81  .    6   1085
. HETA  O  O    HOH .  445  .  22.600   5.200  21.000  0.50 50.00  .    6   1086
. HETA  O  O    HOH .  446  .  11.000  20.300  21.100  0.50 50.00  .    6   1087
. HETA  O  O    HOH .  447  .   3.848  22.050  20.436  1.00 73.68  .    6   1088
. HETA  O  O    HOH .  448  .  15.900  13.400  20.500  0.50 37.02  .    6   1089
. HETA  O  O    HOH .  449  .  15.000  15.900  20.409  0.50 51.72  .    6   1090
. HETA  O  O    HOH .  451  .  -5.648  12.110  21.371  1.00 36.62  .    6   1091
. HETA  O  O    HOH .  453  .  -3.499   9.530  21.143  1.00 58.40  .    6   1092
. HETA  O  O    HOH .  452  .  11.455   5.672  21.400  0.50 45.30  .    6   1093
. HETA  O  O    HOH .  455  .  19.300  11.200  21.251  1.00 93.71  .    6   1094
. HETA  O  O    HOH .  456  .  12.867  15.311  21.383  1.00
                                                           104.59  .    6   1095
. HETA  O  O    HOH .  450  .  16.200  18.500  20.516  0.50 57.42  .    6   1096
. HETA  O  O    HOH .  459  .  17.900  14.200  21.400  0.50 54.11  .    6   1097
. HETA  O  O    HOH .  461  .  -2.438  17.554  21.488  1.00 27.54  .    6   1098
. HETA  O  O    HOH .  462  .   2.426   2.789  21.667  0.50 37.21  .    6   1099
. HETA  O  O    HOH .  473  .   5.591   3.514  22.644  1.00 66.58  .    6   1100
. HETA  O  O    HOH .  474  .  21.490   9.784  21.789  0.50 37.24  .    6   1101
. HETA  O  O    HOH .  475  .  22.459   7.099  21.906  0.50 54.11  .    6   1102
. HETA  O  O    HOH .  476  .  23.362   5.246  22.116  0.50 53.14  .    6   1103
. HETA  O  O    HOH .  477  .  10.026   5.995  22.154  0.50 36.85  .    6   1104
. HETA  O  O    HOH .  481  .  16.230  16.756  22.900  1.00 51.60  .    6   1105
. HETA  O  O    HOH .  482  .   7.950   1.500  22.400  1.00 74.32  .    6   1106
. HETA  O  O    HOH .  484  .   0.000   0.000  22.203  0.33 26.53  .    6   1107
. HETA  O  O    HOH .  485  .   6.000   0.331  22.809  1.00 81.99  .    6   1108
. HETA  O  O    HOH .  486  .   2.400   1.900  22.950  0.50 53.75  .    6   1109
. HETA  O  O    HOH .  487  .  16.826   9.360  22.915  1.00 64.50  .    6   1110
. HETA  O  O    HOH .  488  .  10.028   0.600  22.667  1.00 50.88  .    6   1111
. HETA  O  O    HOH .  491  .   1.801  22.097  22.791  1.00 33.66  .    6   1112
. HETA  O  O    HOH .  492  .  -2.158  10.172  22.900  1.00 34.73  .    6   1113
. HETA  O  O    HOH .  493  .   8.566  22.210  23.275  1.00 52.52  .    6   1114
. HETA  O  O    HOH .  494  .  19.041   7.317  22.965  1.00 45.49  .    6   1115
. HETA  O  O    HOH .  496  .  13.154  17.896  23.121  0.50 58.99  .    6   1116
. HETA  O  O    HOH .  497  .  25.120   2.792  23.670  1.00 49.60  .    6   1117
. HETA  O  O    HOH .  498  .   0.848   2.630  23.300  0.50 51.96  .    6   1118
. HETA  O  O    HOH .  501  .  12.799   4.914  23.300  1.00 45.19  .    6   1119
. HETA  O  O    HOH .  502  .  14.100   1.511  23.000  1.00 54.91  .    6   1120
. HETA  O  O    HOH .  503  .  18.000   5.200  23.400  0.50 40.00  .    6   1121
. HETA  O  O    HOH .  504  .  20.460   5.246  23.195  0.50 42.74  .    6   1122
. HETA  O  O    HOH .  505  .  18.500  13.238  23.926  0.50 60.34  .    6   1123
. HETA  O  O    HOH .  506  .   9.469   4.007  23.263  0.50 65.39  .    6   1124
. HETA  O  O    HOH .  511  .   3.330   4.805  23.757  1.00 24.03  .    6   1125
. HETA  O  O    HOH .  512  .  -6.414  11.027  24.091  1.00 36.40  .    6   1126
. HETA  O  O    HOH .  514  .  -1.798   3.543  24.064  1.00 80.64  .    6   1127
. HETA  O  O    HOH .  513  .   1.468   0.225  24.184  1.00 35.46  .    6   1128
. HETA  O  O    HOH .  515  . -12.014  22.141  24.296  1.00 66.63  .    6   1129
. HETA  O  O    HOH .  516  .  13.052  19.509  23.128  0.50 62.84  .    6   1130
. HETA  O  O    HOH .  517  .  -9.519  22.726  24.412  1.00 71.89  .    6   1131
. HETA  O  O    HOH .  521  .   9.900  22.890  25.259  1.00 65.26  .    6   1132
. HETA  O  O    HOH .  522  .  16.495  17.126  26.000  1.00 40.00  .    6   1133
. HETA  O  O    HOH .  524  .  21.700   5.400  24.514  0.50 50.22  .    6   1134
. HETA  O  O    HOH .  525  .   6.642  20.679  24.898  1.00 58.56  .    6   1135
. HETA  O  O    HOH .  526  .  20.692   8.311  24.457  0.50 48.03  .    6   1136
. HETA  O  O    HOH .  531  .  -1.763  20.077  25.007  1.00 21.36  .    6   1137
. HETA  O  O    HOH .  532  .  -8.670  18.367  25.265  1.00 27.41  .    6   1138
. HETA  O  O    HOH .  533  .   7.700   4.223  25.055  1.00 33.74  .    6   1139
. HETA  O  O    HOH .  535  .  19.581  11.070  25.093  1.00 65.09  .    6   1140
. HETA  O  O    HOH .  536  .  -2.718  10.300  25.150  1.00 73.39  .    6   1141
. HETA  O  O    HOH .  537  .  22.450   8.700  25.159  0.50 48.15  .    6   1142
. HETA  O  O    HOH .  541  .  -1.293  22.963  25.513  1.00 29.91  .    6   1143
. HETA  O  O    HOH .  542  .  12.210  21.699  25.848  0.50 44.27  .    6   1144
. HETA  O  O    HOH .  527  .  11.500  21.600  24.157  0.50 70.69  .    6   1145
. HETA  O  O    HOH .  544  .  25.803   0.095  26.600  1.00 56.59  .    6   1146
. HETA  O  O    HOH .  545  .  23.392   1.295  25.732  1.00 48.54  .    6   1147
. HETA  O  O    HOH .  546  .  12.194   3.114  25.000  1.00 76.30  .    6   1148
. HETA  O  O    HOH .  551  .   4.708   1.340  26.039  1.00 30.59  .    6   1149
. HETA  O  O    HOH .  552  .  14.388  19.737  25.636  1.00 64.76  .    6   1150
. HETA  O  O    HOH .  561  .   5.419   3.667  26.434  1.00 31.12  .    6   1151
. HETA  O  O    HOH .  562  .  23.512   4.500  26.629  1.00 66.30  .    6   1152
. HETA  O  O    HOH .  563  . -10.096  20.400  26.037  1.00 73.01  .    6   1153
. HETA  O  O    HOH .  571  .  -9.600  23.170  26.887  1.00 62.82  .    6   1154
. HETA  O  O    HOH .  572  .  16.389  14.064  27.171  1.00 74.53  .    6   1155
. HETA  O  O    HOH .  574  .  18.700  14.000  26.532  1.00 79.38  .    6   1156
. HETA  O  O    HOH .  582  .  10.926  10.684  26.940  1.00 44.80  .    6   1157
. HETA  O  O    HOH .  583  .  12.500  21.800  27.254  0.50 47.63  .    6   1158
. HETA  O  O    HOH .  581  .  15.038  21.545   5.268  1.00 55.92  .    6   1159
. HETA  O  O    HOH .  591  .  -1.739  18.453  27.705  1.00 12.21  .    6   1160
. HETA  O  O    HOH .  592  .  27.000   1.000  28.300  1.00 70.92  .    6   1161
. HETA  O  O    HOH .  593  .  20.879   8.934  27.397  0.50 49.09  .    6   1162
. HETA  O  O    HOH .  601  .   5.301   3.962  28.700  0.60 31.54  .    6   1163
. HETA  O  O    HOH .  602  .  13.794  13.317  28.059  1.00 74.41  .    6   1164
. HETA  O  O    HOH .  603  .   6.578   4.370  28.779  0.40 28.91  .    6   1165
. HETA  O  O    HOH .  611  .  19.254  14.024  28.832  1.00 55.11  .    6   1166
. HETA  O  O    HOH .  612  .  14.279   1.568  28.963  1.00 65.08  .    6   1167
. HETA  O  O    HOH .  622  .  14.080   9.849  29.479  1.00 27.58  .    6   1168
. HETA  O  O    HOH .  621  .  23.137   6.636  29.293  0.50 55.90  .    6   1169
. HETA  O  O    HOH .  641  .  18.586   7.949  30.401  0.50 17.96  .    6   1170
. HETA  O  O    HOH .  631  .  10.475  22.332  30.034  1.00 41.35  .    6   1171
. HETA  O  O    HOH .  632  .  14.200  22.300  30.301  1.00 67.11  .    6   1172
. HETA  O  O    HOH .  642  .   4.564   5.544  30.131  1.00 37.24  .    6   1173
. HETA  O  O    HOH .  651  .   0.000   0.000  30.941  0.33 24.09  .    6   1174
. HETA  O  O    HOH .  652  .   3.559   3.107  30.844  1.00 34.61  .    6   1175
. HETA  O  O    HOH .  653  .  -1.317   2.461  30.833  1.00 27.74  .    6   1176
. HETA  O  O    HOH .  671  .   6.900   3.468  31.640  1.00 38.60  .    6   1177
. HETA  O  O    HOH .  672  .   1.484   2.379  31.639  1.00 81.34  .    6   1178
. HETA  O  O    HOH .  673  . -11.700  22.918  32.100  1.00 83.01  .    6   1179
. HETA  O  O    HOH .  674  .  12.200  21.561  31.604  1.00 55.36  .    6   1180
. HETA  O  O    HOH .  691  .  25.195   1.527  33.000  1.00 77.73  .    6   1181
. HETA  O  O    HOH .  701  .  11.090  22.753  33.200  1.00 96.30  .    6   1182
. HETA  O  O    HOH .  702  .   3.296   3.651  33.200  1.00 86.30  .    6   1183
. HETA  O  O    HOH .  711  .  24.237   4.743  33.829  1.00 38.87  .    6   1184
. HETA  O  O    HOH .  721  .   6.358  23.611  -0.018  1.00 94.84  .    6   1185



####################
#                  #
# DATABASE_2       #
#                  #
####################


_database_2.database_id			PDB 
_database_2.database_code		4INS 



####################
#                  #
# DATABASE_PDB_REV #
#                  #
####################


_database_PDB_rev.date_original	1989-07-10

loop_
_database_PDB_rev.num
_database_PDB_rev.date
_database_PDB_rev.mod_type
  3	1994-07-31	3 
  2	1993-07-15	1 
  1	1990-04-15	0 

loop_
_database_PDB_rev_record.rev_num
_database_PDB_rev_record.details
_database_PDB_rev_record.type
   3        4INSB        HETATM  
   2        4INSA        HEADER  

loop_
_database_PDB_rev.num
_database_PDB_rev.date
_database_PDB_rev.replaces
1 15-APR-90 1INS


####################
#                  #
# STRUCT_BIOL      #
#                  #
####################


_struct_biol.id         4INS 
_struct_biol.details   'HORMONE                                 '



################
#              #
# 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_label_seq_id
_struct_sheet_hbond.range_1_beg_label_atom_id
_struct_sheet_hbond.range_2_beg_label_seq_id
_struct_sheet_hbond.range_2_beg_label_atom_id
_struct_sheet_hbond.range_1_end_label_seq_id
_struct_sheet_hbond.range_1_end_label_atom_id
_struct_sheet_hbond.range_2_end_label_seq_id
_struct_sheet_hbond.range_2_end_label_atom_id
  B     1_B     2_B   26   O     24   N     26   O     24   N  

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_label_seq_id
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
  B     1_B PHE B   24  TYR B   26 
  B     2_B PHE D   24  TYR D   26 

# 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   1439 records processed from PDB file