# CIF _data
data_1crn.brk                                

# Written with the PDB to CIF Convertor v0.9cRH December 1993 [PEB]

_audit_creation_date        ?  
_audit_creation_method      'PDB2CIF Convertor version 0.9cRH'

_database_code_PDB                  1CRN 

_chemical_name_common 
;    CRAMBIN                                                      
; 
_chemical_compound_source 
; ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED                  
; 

_audit_contact_author_name  ' W.A.HENDRICKSON        '
_audit_contact_author_address    ? 
_audit_contact_author_phone      ? 
_audit_contact_author_fax        ? 
_audit_contact_author_email      ? 

loop_ 
_audit_author_name 
_audit_author_address 
' M.M.TEETER                                   '   ?  

loop_
_database_rev_num_PDB
_database_rev_author_name_PDB
_database_rev_date_PDB
_database_rev_date_original_PDB
_database_rev_replaces_PDB
_database_rev_status_PDB
_database_rev_mod_type_PDB
  1   ?   81-JUL-28    81-APR-30 ?  ?   0 
  2   ?   81-DEC-03    81-APR-30 ?  ?   1 
  3   ?   83-SEP-30    81-APR-30 ?  ?   1 
  4   ?   85-MAR-04    81-APR-30 ?  ?   1 
  5   ?   87-APR-16    81-APR-30 ?  ?   1 

loop_
_database_rev_rec_rev_num_PDB
_database_rev_rec_type_PDB
   2    SHEET
   3   REVDAT
   4   REMARK
   5   HEADER

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_special_details
 
  1       no
; WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC 
  RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN   
  CRYSTALS OF CRAMBIN                                
;
 US 'PROC.NAT.ACAD.SCI.USA       '   81  ?    6014   1984 
'PNASA6         ' '0027-8424                ' ? ? ? ? ?
 
  2       no
; STRUCTURE OF THE HYDROPHOBIC PROTEIN CRAMBIN       
  DETERMINED DIRECTLY FROM THE ANOMALOUS SCATTERING  
  OF SULPHUR                                         
;
 UK 'NATURE                      '   29  ?     107   1981 
'NATUAS         ' '0028-0836                ' ? ? ? ? ?
 
  3       no
; HIGHLY ORDERED CRYSTALS OF THE PLANT SEED PROTEIN  
  CRAMBIN                                            
;
 UK 'J.MOL.BIOL.                 '   12  ?     219   1979 
'JMOBAK         ' '0022-2836                ' ? ? ? ? ?

loop_
_citation_author_citation_id
_citation_author_name
   1       'M.M.TEETER                                         ' 
   2       'W.A.HENDRICKSON     ' 
   2       'M.M.TEETER                         ' 
   3       'M.M.TEETER          ' 
   3       'W.A.HENDRICKSON                         ' 

_diffrn_overall_dspacing_min ' 1.5 ANGSTROMS.                              ' 

loop_
_database_remark_num_PDB
_database_remark_text_PDB
  3
;                                                              
 REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A.,      
  KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R.,  
  RAMASESHAN,S.,VENKATESAN,K. (1980)).                        
;

  4
;                                                              
 CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25      
 WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES.  
 COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND  
 25.  REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT  
 60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU.    
 THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A          
 DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM     
 MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH      
 ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE.  THE          
 DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT  
 EACH SITE (PRO 22 AND ILE 25).  DEPOSITION OF THE MODEL OF   
 DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER      
 RESOLUTION REFINEMENT.  THE R-FACTOR FOR THE COMPLETE MODEL  
 INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND   
 0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5        
 ANGSTROM SHELL.                                              
;

  5
;                                                              
 THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED     
 IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS    
 THAT MAY AFFECT THE DETERMINATION OF END POINTS.  PLEASE     
 CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL         
 DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES     
 WHEN MAKING USE OF THE SPECIFICATIONS.                       
;

  6
;                                                              
 CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1.  
  03-DEC-81.                                                  
;

  7
;                                                              
 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.                
;

  8
;                                                              
 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND        
  RENUMBER THE OTHERS.  04-MAR-85.                            
;

  9
;                                                              
 CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO         
  30-APR-81.  16-APR-87.                                      
; 


loop_ 
_entity_poly_seq_entity_id
_entity_poly_seq_num
_entity_poly_seq_mon_id
 A    1 THR A    2 THR A    3 CYS A    4 CYS A    5 PRO A    6 SER A    7 ILE
 A    8 VAL A    9 ALA A   10 ARG A   11 SER A   12 ASN A   13 PHE
 A   14 ASN A   15 VAL A   16 CYS A   17 ARG A   18 LEU A   19 PRO A   20 GLY
 A   21 THR A   22 PRO A   23 GLU A   24 ALA A   25 ILE A   26 CYS
 A   27 ALA A   28 THR A   29 TYR A   30 THR A   31 GLY A   32 CYS A   33 ILE
 A   34 ILE A   35 ILE A   36 PRO A   37 GLY A   38 ALA A   39 THR
 A   40 CYS A   41 PRO A   42 GLY A   43 ASP A   44 TYR A   45 ALA A   46 ASN


loop_ 
_struct_conf_type_id
_struct_conf_type_criteria
_struct_conf_type_reference
  HELX_RHAL   'From PDB'   ? 
  STRN        'From PDB'   ? 
  TURN        'From PDB'   ? 

loop_ 
_struct_conf_id
_struct_conf_conf_type_id
_struct_conf_beg_label_res_id
_struct_conf_beg_label_asym_id
_struct_conf_beg_label_seq_id
_struct_conf_end_label_res_id
_struct_conf_end_label_asym_id
_struct_conf_end_label_seq_id
_struct_conf_special_details
 'HELX H1'  HELX_RHAL ILE A    7 PRO A   19  ' 3/10 CONFORMATION RES 17,19  '
 'HELX H2'  HELX_RHAL GLU A   23 THR A   30  ' DISTORTED 3/10 AT RES 30     '
 'STRN S1'  STRN      THR A    1 CYS A    4           ?
 'STRN S1'  STRN      CYS A   32 ILE A   35           ?
 'TURN T1'  TURN      PRO A   41 TYR A   44   '                              '

_cell_length_a           40.960 
_cell_length_b           18.650 
_cell_length_c           22.520 
_cell_angle_alpha        90.000 
_cell_angle_beta         90.770 
_cell_angle_gamma        90.000 
_cell_volume            57899.6 
_cell_special_details         ? 
_cell_formula_units_Z         2 

_symmetry_space_group_name_H_M   ' P 21      ' 


_atom_sites_Cartn_transform_axes       ?
_atom_sites_fract_tran_matrix_11     .024414
_atom_sites_fract_tran_matrix_12    0.000000
_atom_sites_fract_tran_matrix_13    -.000328
_atom_sites_fract_tran_vector_11     0.00000
_atom_sites_fract_tran_matrix_21    0.000000
_atom_sites_fract_tran_matrix_22     .053619
_atom_sites_fract_tran_matrix_23    0.000000
_atom_sites_fract_tran_vector_22     0.00000
_atom_sites_fract_tran_matrix_31    0.000000
_atom_sites_fract_tran_matrix_32    0.000000
_atom_sites_fract_tran_matrix_33     .044409
_atom_sites_fract_tran_vector_33     0.00000

loop_
_struct_conn_type_id
_struct_conn_type_criteria
_struct_conn_type_reference
saltbr  'defined by user in PDB file'  ?
hydrog  'defined by user in PDB file'  ?
disulf  'defined by user in PDB file'  ?

loop_
_struct_conn_id
_struct_conn_conn_type_id
_struct_conn_par1_label_res_id
_struct_conn_par1_label_asym_id
_struct_conn_par1_label_seq_id
_struct_conn_par1_label_atom_id
_struct_conn_par1_label_alt_id
_struct_conn_role_par1
_struct_conn_symmetry_par1
_struct_conn_par2_label_res_id
_struct_conn_par2_label_asym_id
_struct_conn_par2_label_seq_id
_struct_conn_par2_label_atom_id
_struct_conn_par2_label_alt_id
_struct_conn_role_par2
_struct_conn_symmetry_par2
_struct_conn_special_details
  1 covale CYS A    3 ' SG '  ?   ? 1_555 CYS A    3 ' CB '  ?   ? 1_555 ?
  2 covale CYS A    3 ' SG '  ?   ? 1_555 CYS A   40 ' SG '  ?   ? 1_555 ?
  3 covale CYS A    4 ' SG '  ?   ? 1_555 CYS A    4 ' CB '  ?   ? 1_555 ?
  4 covale CYS A    4 ' SG '  ?   ? 1_555 CYS A   32 ' SG '  ?   ? 1_555 ?
  5 covale CYS A   16 ' SG '  ?   ? 1_555 CYS A   16 ' CB '  ?   ? 1_555 ?
  6 covale CYS A   16 ' SG '  ?   ? 1_555 CYS A   26 ' SG '  ?   ? 1_555 ?
  7 covale CYS A   26 ' SG '  ?   ? 1_555 CYS A   16 ' SG '  ?   ? 1_555 ?
  8 covale CYS A   26 ' SG '  ?   ? 1_555 CYS A   26 ' CB '  ?   ? 1_555 ?
  9 covale CYS A   32 ' SG '  ?   ? 1_555 CYS A    4 ' SG '  ?   ? 1_555 ?
 10 covale CYS A   32 ' SG '  ?   ? 1_555 CYS A   32 ' CB '  ?   ? 1_555 ?
 11 covale CYS A   40 ' SG '  ?   ? 1_555 CYS A    3 ' SG '  ?   ? 1_555 ?
 12 covale CYS A   40 ' SG '  ?   ? 1_555 CYS A   40 ' CB '  ?   ? 1_555 ?
 13 disulf CYS A '   3'  ?    ?   ? 1_555 CYS A '  40'  ?    ?   ? 1_555
?
 14 disulf CYS A '   4'  ?    ?   ? 1_555 CYS A '  32'  ?    ?   ? 1_555
?
 15 disulf CYS A '  16'  ?    ?   ? 1_555 CYS A '  26'  ?    ?   ? 1_555
?

loop_
_struct_title
_struct_keywords
 'CRAMBIN                                                     ' ?

loop_
_struct_biol_id
_struct_biol_special_details
 1CRN ' PLANT SEED PROTEIN                      ' 

loop_
_entity_id
_entity_type
_entity_name_common
_entity_name_systematic
_entity_name_systematic_system
_entity_source
_entity_special_details
? ? ? ? ? ? ?

loop_ 
_entity_poly_entity_id
_entity_poly_type
_entity_poly_formula_weight
_entity_poly_non_s_chirality
_entity_poly_non_s_linkage
_entity_poly_non_s_monomer
_entity_poly_type_details
? ? ? ? ? ? ?

loop_
_atom_site_group_PDB
_atom_site_type_symbol 
_atom_site_label_atom_id 
_atom_site_label_res_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_entity_seq_num
  ATOM N ' N  ' THR A    1 ?   17.047   14.099    3.625  1.00 13.79  ?    A    1
  ATOM C ' CA ' THR A    1 ?   16.967   12.784    4.338  1.00 10.80  ?    A    1
  ATOM C ' C  ' THR A    1 ?   15.685   12.755    5.133  1.00  9.19  ?    A    1
  ATOM O ' O  ' THR A    1 ?   15.268   13.825    5.594  1.00  9.85  ?    A    1
  ATOM C ' CB ' THR A    1 ?   18.170   12.703    5.337  1.00 13.02  ?    A    1
  ATOM O ' OG1' THR A    1 ?   19.334   12.829    4.463  1.00 15.06  ?    A    1
  ATOM C ' CG2' THR A    1 ?   18.150   11.546    6.304  1.00 14.23  ?    A    1
  ATOM N ' N  ' THR A    2 ?   15.115   11.555    5.265  1.00  7.81  ?    A    2
  ATOM C ' CA ' THR A    2 ?   13.856   11.469    6.066  1.00  8.31  ?    A    2
  ATOM C ' C  ' THR A    2 ?   14.164   10.785    7.379  1.00  5.80  ?    A    2
  ATOM O ' O  ' THR A    2 ?   14.993    9.862    7.443  1.00  6.94  ?    A    2
  ATOM C ' CB ' THR A    2 ?   12.732   10.711    5.261  1.00 10.32  ?    A    2
  ATOM O ' OG1' THR A    2 ?   13.308    9.439    4.926  1.00 12.81  ?    A    2
  ATOM C ' CG2' THR A    2 ?   12.484   11.442    3.895  1.00 11.90  ?    A    2
  ATOM N ' N  ' CYS A    3 ?   13.488   11.241    8.417  1.00  5.24  ?    A    3
  ATOM C ' CA ' CYS A    3 ?   13.660   10.707    9.787  1.00  5.39  ?    A    3
  ATOM C ' C  ' CYS A    3 ?   12.269   10.431   10.323  1.00  4.45  ?    A    3
  ATOM O ' O  ' CYS A    3 ?   11.393   11.308   10.185  1.00  6.54  ?    A    3
  ATOM C ' CB ' CYS A    3 ?   14.368   11.748   10.691  1.00  5.99  ?    A    3
  ATOM S ' SG ' CYS A    3 ?   15.885   12.426   10.016  1.00  7.01  ?    A    3
  ATOM N ' N  ' CYS A    4 ?   12.019    9.272   10.928  1.00  3.90  ?    A    4
  ATOM C ' CA ' CYS A    4 ?   10.646    8.991   11.408  1.00  4.24  ?    A    4
  ATOM C ' C  ' CYS A    4 ?   10.654    8.793   12.919  1.00  3.72  ?    A    4
  ATOM O ' O  ' CYS A    4 ?   11.659    8.296   13.491  1.00  5.30  ?    A    4
  ATOM C ' CB ' CYS A    4 ?   10.057    7.752   10.682  1.00  4.41  ?    A    4
  ATOM S ' SG ' CYS A    4 ?    9.837    8.018    8.904  1.00  4.72  ?    A    4
  ATOM N ' N  ' PRO A    5 ?    9.561    9.108   13.563  1.00  3.96  ?    A    5
  ATOM C ' CA ' PRO A    5 ?    9.448    9.034   15.012  1.00  4.25  ?    A    5
  ATOM C ' C  ' PRO A    5 ?    9.288    7.670   15.606  1.00  4.96  ?    A    5
  ATOM O ' O  ' PRO A    5 ?    9.490    7.519   16.819  1.00  7.44  ?    A    5
  ATOM C ' CB ' PRO A    5 ?    8.230    9.957   15.345  1.00  5.11  ?    A    5
  ATOM C ' CG ' PRO A    5 ?    7.338    9.786   14.114  1.00  5.24  ?    A    5
  ATOM C ' CD ' PRO A    5 ?    8.366    9.804   12.958  1.00  5.20  ?    A    5
  ATOM N ' N  ' SER A    6 ?    8.875    6.686   14.796  1.00  4.83  ?    A    6
  ATOM C ' CA ' SER A    6 ?    8.673    5.314   15.279  1.00  4.45  ?    A    6
  ATOM C ' C  ' SER A    6 ?    8.753    4.376   14.083  1.00  4.99  ?    A    6
  ATOM O ' O  ' SER A    6 ?    8.726    4.858   12.923  1.00  4.61  ?    A    6
  ATOM C ' CB ' SER A    6 ?    7.340    5.121   15.996  1.00  5.05  ?    A    6
  ATOM O ' OG ' SER A    6 ?    6.274    5.220   15.031  1.00  6.39  ?    A    6
  ATOM N ' N  ' ILE A    7 ?    8.881    3.075   14.358  1.00  4.94  ?    A    7
  ATOM C ' CA ' ILE A    7 ?    8.912    2.083   13.258  1.00  6.33  ?    A    7
  ATOM C ' C  ' ILE A    7 ?    7.581    2.090   12.506  1.00  5.32  ?    A    7
  ATOM O ' O  ' ILE A    7 ?    7.670    2.031   11.245  1.00  6.85  ?    A    7
  ATOM C ' CB ' ILE A    7 ?    9.207     .677   13.924  1.00  8.43  ?    A    7
  ATOM C ' CG1' ILE A    7 ?   10.714     .702   14.312  1.00  9.78  ?    A    7
  ATOM C ' CG2' ILE A    7 ?    8.811    -.477   12.969  1.00 11.70  ?    A    7
  ATOM C ' CD1' ILE A    7 ?   11.185    -.516   15.142  1.00  9.92  ?    A    7
  ATOM N ' N  ' VAL A    8 ?    6.458    2.162   13.159  1.00  5.02  ?    A    8
  ATOM C ' CA ' VAL A    8 ?    5.145    2.209   12.453  1.00  6.93  ?    A    8
  ATOM C ' C  ' VAL A    8 ?    5.115    3.379   11.461  1.00  5.39  ?    A    8
  ATOM O ' O  ' VAL A    8 ?    4.664    3.268   10.343  1.00  6.30  ?    A    8
  ATOM C ' CB ' VAL A    8 ?    3.995    2.354   13.478  1.00  9.64  ?    A    8
  ATOM C ' CG1' VAL A    8 ?    2.716    2.891   12.869  1.00 13.85  ?    A    8
  ATOM C ' CG2' VAL A    8 ?    3.758    1.032   14.208  1.00 11.97  ?    A    8
  ATOM N ' N  ' ALA A    9 ?    5.606    4.546   11.941  1.00  3.73  ?    A    9
  ATOM C ' CA ' ALA A    9 ?    5.598    5.767   11.082  1.00  3.56  ?    A    9
  ATOM C ' C  ' ALA A    9 ?    6.441    5.527    9.850  1.00  4.13  ?    A    9
  ATOM O ' O  ' ALA A    9 ?    6.052    5.933    8.744  1.00  4.36  ?    A    9
  ATOM C ' CB ' ALA A    9 ?    6.022    6.977   11.891  1.00  4.80  ?    A    9
  ATOM N ' N  ' ARG A   10 ?    7.647    4.909   10.005  1.00  3.73  ?    A   10
  ATOM C ' CA ' ARG A   10 ?    8.496    4.609    8.837  1.00  3.38  ?    A   10
  ATOM C ' C  ' ARG A   10 ?    7.798    3.609    7.876  1.00  3.47  ?    A   10
  ATOM O ' O  ' ARG A   10 ?    7.878    3.778    6.651  1.00  4.67  ?    A   10
  ATOM C ' CB ' ARG A   10 ?    9.847    4.020    9.305  1.00  3.95  ?    A   10
  ATOM C ' CG ' ARG A   10 ?   10.752    3.607    8.149  1.00  4.55  ?    A   10
  ATOM C ' CD ' ARG A   10 ?   11.226    4.699    7.244  1.00  5.89  ?    A   10
  ATOM N ' NE ' ARG A   10 ?   12.143    5.571    8.035  1.00  6.20  ?    A   10
  ATOM C ' CZ ' ARG A   10 ?   12.758    6.609    7.443  1.00  7.52  ?    A   10
  ATOM N ' NH1' ARG A   10 ?   12.539    6.932    6.158  1.00 10.68  ?    A   10
  ATOM N ' NH2' ARG A   10 ?   13.601    7.322    8.202  1.00  9.48  ?    A   10
  ATOM N ' N  ' SER A   11 ?    7.186    2.582    8.445  1.00  5.19  ?    A   11
  ATOM C ' CA ' SER A   11 ?    6.500    1.584    7.565  1.00  4.60  ?    A   11
  ATOM C ' C  ' SER A   11 ?    5.382    2.313    6.773  1.00  4.84  ?    A   11
  ATOM O ' O  ' SER A   11 ?    5.213    2.016    5.557  1.00  5.84  ?    A   11
  ATOM C ' CB ' SER A   11 ?    5.908     .462    8.400  1.00  5.91  ?    A   11
  ATOM O ' OG ' SER A   11 ?    6.990    -.272    9.012  1.00  8.38  ?    A   11
  ATOM N ' N  ' ASN A   12 ?    4.648    3.182    7.446  1.00  3.54  ?    A   12
  ATOM C ' CA ' ASN A   12 ?    3.545    3.935    6.751  1.00  4.57  ?    A   12
  ATOM C ' C  ' ASN A   12 ?    4.107    4.851    5.691  1.00  4.14  ?    A   12
  ATOM O ' O  ' ASN A   12 ?    3.536    5.001    4.617  1.00  5.52  ?    A   12
  ATOM C ' CB ' ASN A   12 ?    2.663    4.677    7.748  1.00  6.42  ?    A   12
  ATOM C ' CG ' ASN A   12 ?    1.802    3.735    8.610  1.00  8.25  ?    A   12
  ATOM O ' OD1' ASN A   12 ?    1.567    2.613    8.165  1.00 12.72  ?    A   12
  ATOM N ' ND2' ASN A   12 ?    1.394    4.252    9.767  1.00  9.92  ?    A   12
  ATOM N ' N  ' PHE A   13 ?    5.259    5.498    6.005  1.00  3.43  ?    A   13
  ATOM C ' CA ' PHE A   13 ?    5.929    6.358    5.055  1.00  3.49  ?    A   13
  ATOM C ' C  ' PHE A   13 ?    6.304    5.578    3.799  1.00  3.40  ?    A   13
  ATOM O ' O  ' PHE A   13 ?    6.136    6.072    2.653  1.00  4.07  ?    A   13
  ATOM C ' CB ' PHE A   13 ?    7.183    6.994    5.754  1.00  5.48  ?    A   13
  ATOM C ' CG ' PHE A   13 ?    7.884    8.006    4.883  1.00  5.57  ?    A   13
  ATOM C ' CD1' PHE A   13 ?    8.906    7.586    4.027  1.00  6.99  ?    A   13
  ATOM C ' CD2' PHE A   13 ?    7.532    9.373    4.983  1.00  6.52  ?    A   13
  ATOM C ' CE1' PHE A   13 ?    9.560    8.539    3.194  1.00  8.20  ?    A   13
  ATOM C ' CE2' PHE A   13 ?    8.176   10.281    4.145  1.00  6.34  ?    A   13
  ATOM C ' CZ ' PHE A   13 ?    9.141    9.845    3.292  1.00  6.84  ?    A   13
  ATOM N ' N  ' ASN A   14 ?    6.900    4.390    3.989  1.00  3.64  ?    A   14
  ATOM C ' CA ' ASN A   14 ?    7.331    3.607    2.791  1.00  4.31  ?    A   14
  ATOM C ' C  ' ASN A   14 ?    6.116    3.210    1.915  1.00  3.98  ?    A   14
  ATOM O ' O  ' ASN A   14 ?    6.240    3.144     .684  1.00  6.22  ?    A   14
  ATOM C ' CB ' ASN A   14 ?    8.145    2.404    3.240  1.00  5.81  ?    A   14
  ATOM C ' CG ' ASN A   14 ?    9.555    2.856    3.730  1.00  6.82  ?    A   14
  ATOM O ' OD1' ASN A   14 ?   10.013    3.895    3.323  1.00  9.43  ?    A   14
  ATOM N ' ND2' ASN A   14 ?   10.120    1.956    4.539  1.00  8.21  ?    A   14
  ATOM N ' N  ' VAL A   15 ?    4.993    2.927    2.571  1.00  3.76  ?    A   15
  ATOM C ' CA ' VAL A   15 ?    3.782    2.599    1.742  1.00  3.98  ?    A   15
  ATOM C ' C  ' VAL A   15 ?    3.296    3.871    1.004  1.00  3.80  ?    A   15
  ATOM O ' O  ' VAL A   15 ?    2.947    3.817    -.189  1.00  4.85  ?    A   15
  ATOM C ' CB ' VAL A   15 ?    2.698    1.953    2.608  1.00  4.71  ?    A   15
  ATOM C ' CG1' VAL A   15 ?    1.384    1.826    1.806  1.00  6.67  ?    A   15
  ATOM C ' CG2' VAL A   15 ?    3.174     .533    3.005  1.00  6.26  ?    A   15
  ATOM N ' N  ' CYS A   16 ?    3.321    4.987    1.720  1.00  3.79  ?    A   16
  ATOM C ' CA ' CYS A   16 ?    2.890    6.285    1.126  1.00  3.54  ?    A   16
  ATOM C ' C  ' CYS A   16 ?    3.687    6.597    -.111  1.00  3.48  ?    A   16
  ATOM O ' O  ' CYS A   16 ?    3.200    7.147   -1.103  1.00  4.63  ?    A   16
  ATOM C ' CB ' CYS A   16 ?    3.039    7.369    2.240  1.00  4.58  ?    A   16
  ATOM S ' SG ' CYS A   16 ?    2.559    9.014    1.649  1.00  5.66  ?    A   16
  ATOM N ' N  ' ARG A   17 ?    4.997    6.227    -.100  1.00  3.99  ?    A   17
  ATOM C ' CA ' ARG A   17 ?    5.895    6.489   -1.213  1.00  3.83  ?    A   17
  ATOM C ' C  ' ARG A   17 ?    5.738    5.560   -2.409  1.00  3.79  ?    A   17
  ATOM O ' O  ' ARG A   17 ?    6.228    5.901   -3.507  1.00  5.39  ?    A   17
  ATOM C ' CB ' ARG A   17 ?    7.370    6.507    -.731  1.00  4.11  ?    A   17
  ATOM C ' CG ' ARG A   17 ?    7.717    7.687     .206  1.00  4.69  ?    A   17
  ATOM C ' CD ' ARG A   17 ?    7.949    8.947    -.615  1.00  5.10  ?    A   17
  ATOM N ' NE ' ARG A   17 ?    9.212    8.856   -1.337  1.00  4.71  ?    A   17
  ATOM C ' CZ ' ARG A   17 ?    9.537    9.533   -2.431  1.00  5.28  ?    A   17
  ATOM N ' NH1' ARG A   17 ?    8.659   10.350   -3.032  1.00  6.67  ?    A   17
  ATOM N ' NH2' ARG A   17 ?   10.793    9.491   -2.899  1.00  6.41  ?    A   17
  ATOM N ' N  ' LEU A   18 ?    5.051    4.411   -2.204  1.00  4.70  ?    A   18
  ATOM C ' CA ' LEU A   18 ?    4.933    3.431   -3.326  1.00  5.46  ?    A   18
  ATOM C ' C  ' LEU A   18 ?    4.397    4.014   -4.620  1.00  5.13  ?    A   18
  ATOM O ' O  ' LEU A   18 ?    4.988    3.755   -5.687  1.00  5.55  ?    A   18
  ATOM C ' CB ' LEU A   18 ?    4.196    2.184   -2.863  1.00  6.47  ?    A   18
  ATOM C ' CG ' LEU A   18 ?    4.960    1.178   -1.991  1.00  7.43  ?    A   18
  ATOM C ' CD1' LEU A   18 ?    3.907     .097   -1.634  1.00  8.70  ?    A   18
  ATOM C ' CD2' LEU A   18 ?    6.129     .606   -2.768  1.00  9.39  ?    A   18
  ATOM N ' N  ' PRO A   19 ?    3.329    4.795   -4.543  1.00  4.28  ?    A   19
  ATOM C ' CA ' PRO A   19 ?    2.792    5.376   -5.797  1.00  5.38  ?    A   19
  ATOM C ' C  ' PRO A   19 ?    3.573    6.540   -6.322  1.00  6.30  ?    A   19
  ATOM O ' O  ' PRO A   19 ?    3.260    7.045   -7.422  1.00  9.62  ?    A   19
  ATOM C ' CB ' PRO A   19 ?    1.358    5.766   -5.472  1.00  5.87  ?    A   19
  ATOM C ' CG ' PRO A   19 ?    1.223    5.694   -3.993  1.00  6.47  ?    A   19
  ATOM C ' CD ' PRO A   19 ?    2.421    4.941   -3.408  1.00  6.45  ?    A   19
  ATOM N ' N  ' GLY A   20 ?    4.565    7.047   -5.559  1.00  4.94  ?    A   20
  ATOM C ' CA ' GLY A   20 ?    5.366    8.191   -6.018  1.00  5.39  ?    A   20
  ATOM C ' C  ' GLY A   20 ?    5.007    9.481   -5.280  1.00  5.03  ?    A   20
  ATOM O ' O  ' GLY A   20 ?    5.535   10.510   -5.730  1.00  7.34  ?    A   20
  ATOM N ' N  ' THR A   21 ?    4.181    9.438   -4.262  1.00  4.10  ?    A   21
  ATOM C ' CA ' THR A   21 ?    3.767   10.609   -3.513  1.00  3.94  ?    A   21
  ATOM C ' C  ' THR A   21 ?    5.017   11.397   -3.042  1.00  3.96  ?    A   21
  ATOM O ' O  ' THR A   21 ?    5.947   10.757   -2.523  1.00  5.82  ?    A   21
  ATOM C ' CB ' THR A   21 ?    2.992   10.188   -2.225  1.00  4.13  ?    A   21
  ATOM O ' OG1' THR A   21 ?    2.051    9.144   -2.623  1.00  5.45  ?    A   21
  ATOM C ' CG2' THR A   21 ?    2.260   11.349   -1.551  1.00  5.41  ?    A   21
  ATOM N ' N  ' PRO A   22 ?    4.971   12.703   -3.176  1.00  5.04  ?    A   22
  ATOM C ' CA ' PRO A   22 ?    6.143   13.513   -2.696  1.00  4.69  ?    A   22
  ATOM C ' C  ' PRO A   22 ?    6.400   13.233   -1.225  1.00  4.19  ?    A   22
  ATOM O ' O  ' PRO A   22 ?    5.485   13.061    -.382  1.00  4.47  ?    A   22
  ATOM C ' CB ' PRO A   22 ?    5.703   14.969   -2.920  1.00  7.12  ?    A   22
  ATOM C ' CG ' PRO A   22 ?    4.676   14.893   -3.996  1.00  7.03  ?    A   22
  ATOM C ' CD ' PRO A   22 ?    3.964   13.567   -3.811  1.00  4.90  ?    A   22
  ATOM N ' N  ' GLU A   23 ?    7.728   13.297    -.921  1.00  5.16  ?    A   23
  ATOM C ' CA ' GLU A   23 ?    8.114   13.103     .500  1.00  5.31  ?    A   23
  ATOM C ' C  ' GLU A   23 ?    7.427   14.073    1.410  1.00  4.11  ?    A   23
  ATOM O ' O  ' GLU A   23 ?    7.036   13.682    2.540  1.00  5.11  ?    A   23
  ATOM C ' CB ' GLU A   23 ?    9.648   13.285     .660  1.00  6.16  ?    A   23
  ATOM C ' CG ' GLU A   23 ?   10.440   12.093     .063  1.00  7.48  ?    A   23
  ATOM C ' CD ' GLU A   23 ?   11.941   12.170     .391  1.00  9.40  ?    A   23
  ATOM O ' OE1' GLU A   23 ?   12.416   13.225     .681  1.00 10.40  ?    A   23
  ATOM O ' OE2' GLU A   23 ?   12.539   11.070     .292  1.00 13.32  ?    A   23
  ATOM N ' N  ' ALA A   24 ?    7.212   15.334     .966  1.00  4.56  ?    A   24
  ATOM C ' CA ' ALA A   24 ?    6.614   16.317    1.913  1.00  4.49  ?    A   24
  ATOM C ' C  ' ALA A   24 ?    5.212   15.936    2.350  1.00  4.10  ?    A   24
  ATOM O ' O  ' ALA A   24 ?    4.782   16.166    3.495  1.00  5.64  ?    A   24
  ATOM C ' CB ' ALA A   24 ?    6.605   17.695    1.246  1.00  5.80  ?    A   24
  ATOM N ' N  ' ILE A   25 ?    4.445   15.318    1.405  1.00  4.37  ?    A   25
  ATOM C ' CA ' ILE A   25 ?    3.074   14.894    1.756  1.00  5.44  ?    A   25
  ATOM C ' C  ' ILE A   25 ?    3.085   13.643    2.645  1.00  4.32  ?    A   25
  ATOM O ' O  ' ILE A   25 ?    2.315   13.523    3.578  1.00  4.72  ?    A   25
  ATOM C ' CB ' ILE A   25 ?    2.204   14.637     .462  1.00  6.42  ?    A   25
  ATOM C ' CG1' ILE A   25 ?    1.815   16.048    -.129  1.00  7.50  ?    A   25
  ATOM C ' CG2' ILE A   25 ?     .903   13.864     .811  1.00  7.65  ?    A   25
  ATOM C ' CD1' ILE A   25 ?     .756   16.761     .757  1.00  7.80  ?    A   25
  ATOM N ' N  ' CYS A   26 ?    4.032   12.764    2.313  1.00  3.92  ?    A   26
  ATOM C ' CA ' CYS A   26 ?    4.180   11.549    3.187  1.00  4.37  ?    A   26
  ATOM C ' C  ' CYS A   26 ?    4.632   11.944    4.596  1.00  3.95  ?    A   26
  ATOM O ' O  ' CYS A   26 ?    4.227   11.252    5.547  1.00  4.74  ?    A   26
  ATOM C ' CB ' CYS A   26 ?    5.038   10.518    2.539  1.00  4.63  ?    A   26
  ATOM S ' SG ' CYS A   26 ?    4.349    9.794    1.022  1.00  5.61  ?    A   26
  ATOM N ' N  ' ALA A   27 ?    5.408   13.012    4.694  1.00  3.89  ?    A   27
  ATOM C ' CA ' ALA A   27 ?    5.879   13.502    6.026  1.00  4.43  ?    A   27
  ATOM C ' C  ' ALA A   27 ?    4.696   13.908    6.882  1.00  4.26  ?    A   27
  ATOM O ' O  ' ALA A   27 ?    4.528   13.422    8.025  1.00  5.44  ?    A   27
  ATOM C ' CB ' ALA A   27 ?    6.880   14.615    5.830  1.00  5.36  ?    A   27
  ATOM N ' N  ' THR A   28 ?    3.827   14.802    6.358  1.00  4.53  ?    A   28
  ATOM C ' CA ' THR A   28 ?    2.691   15.221    7.194  1.00  5.08  ?    A   28
  ATOM C ' C  ' THR A   28 ?    1.672   14.132    7.434  1.00  4.62  ?    A   28
  ATOM O ' O  ' THR A   28 ?     .947   14.112    8.468  1.00  7.80  ?    A   28
  ATOM C ' CB ' THR A   28 ?    1.986   16.520    6.614  1.00  6.03  ?    A   28
  ATOM O ' OG1' THR A   28 ?    1.664   16.221    5.230  1.00  7.19  ?    A   28
  ATOM C ' CG2' THR A   28 ?    2.914   17.739    6.700  1.00  7.34  ?    A   28
  ATOM N ' N  ' TYR A   29 ?    1.621   13.190    6.511  1.00  5.01  ?    A   29
  ATOM C ' CA ' TYR A   29 ?     .715   12.045    6.657  1.00  6.60  ?    A   29
  ATOM C ' C  ' TYR A   29 ?    1.125   11.125    7.815  1.00  4.92  ?    A   29
  ATOM O ' O  ' TYR A   29 ?     .286   10.632    8.545  1.00  7.13  ?    A   29
  ATOM C ' CB ' TYR A   29 ?     .755   11.229    5.322  1.00  9.66  ?    A   29
  ATOM C ' CG ' TYR A   29 ?    -.203   10.044    5.354  1.00 11.56  ?    A   29
  ATOM C ' CD1' TYR A   29 ?   -1.547   10.337    5.645  1.00 12.85  ?    A   29
  ATOM C ' CD2' TYR A   29 ?     .193    8.750    5.100  1.00 14.44  ?    A   29
  ATOM C ' CE1' TYR A   29 ?   -2.496    9.329    5.673  1.00 16.61  ?    A   29
  ATOM C ' CE2' TYR A   29 ?    -.801    7.705    5.156  1.00 17.11  ?    A   29
  ATOM C ' CZ ' TYR A   29 ?   -2.079    8.031    5.430  1.00 19.99  ?    A   29
  ATOM O ' OH ' TYR A   29 ?   -3.097    7.057    5.458  1.00 28.98  ?    A   29
  ATOM N ' N  ' THR A   30 ?    2.470   10.984    7.995  1.00  5.31  ?    A   30
  ATOM C ' CA ' THR A   30 ?    2.986    9.994    8.950  1.00  5.70  ?    A   30
  ATOM C ' C  ' THR A   30 ?    3.609   10.505   10.230  1.00  6.28  ?    A   30
  ATOM O ' O  ' THR A   30 ?    3.766    9.715   11.186  1.00  8.77  ?    A   30
  ATOM C ' CB ' THR A   30 ?    4.076    9.103    8.225  1.00  6.55  ?    A   30
  ATOM O ' OG1' THR A   30 ?    5.125   10.027    7.824  1.00  6.57  ?    A   30
  ATOM C ' CG2' THR A   30 ?    3.493    8.324    7.035  1.00  7.29  ?    A   30
  ATOM N ' N  ' GLY A   31 ?    3.984   11.764   10.241  1.00  4.99  ?    A   31
  ATOM C ' CA ' GLY A   31 ?    4.769   12.336   11.360  1.00  5.50  ?    A   31
  ATOM C ' C  ' GLY A   31 ?    6.255   12.243   11.106  1.00  4.19  ?    A   31
  ATOM O ' O  ' GLY A   31 ?    7.037   12.750   11.954  1.00  6.12  ?    A   31
  ATOM N ' N  ' CYS A   32 ?    6.710   11.631    9.992  1.00  4.30  ?    A   32
  ATOM C ' CA ' CYS A   32 ?    8.140   11.694    9.635  1.00  4.89  ?    A   32
  ATOM C ' C  ' CYS A   32 ?    8.500   13.141    9.206  1.00  5.50  ?    A   32
  ATOM O ' O  ' CYS A   32 ?    7.581   13.949    8.944  1.00  5.82  ?    A   32
  ATOM C ' CB ' CYS A   32 ?    8.504   10.686    8.530  1.00  4.66  ?    A   32
  ATOM S ' SG ' CYS A   32 ?    8.048    8.987    8.881  1.00  5.33  ?    A   32
  ATOM N ' N  ' ILE A   33 ?    9.793   13.410    9.173  1.00  6.02  ?    A   33
  ATOM C ' CA ' ILE A   33 ?   10.280   14.760    8.823  1.00  5.24  ?    A   33
  ATOM C ' C  ' ILE A   33 ?   11.346   14.658    7.743  1.00  5.16  ?    A   33
  ATOM O ' O  ' ILE A   33 ?   11.971   13.583    7.552  1.00  7.19  ?    A   33
  ATOM C ' CB ' ILE A   33 ?   10.790   15.535   10.085  1.00  5.49  ?    A   33
  ATOM C ' CG1' ILE A   33 ?   12.059   14.803   10.671  1.00  6.85  ?    A   33
  ATOM C ' CG2' ILE A   33 ?    9.684   15.686   11.138  1.00  6.45  ?    A   33
  ATOM C ' CD1' ILE A   33 ?   12.733   15.676   11.781  1.00  8.94  ?    A   33
  ATOM N ' N  ' ILE A   34 ?   11.490   15.773    7.038  1.00  5.52  ?    A   34
  ATOM C ' CA ' ILE A   34 ?   12.552   15.877    6.036  1.00  6.82  ?    A   34
  ATOM C ' C  ' ILE A   34 ?   13.590   16.917    6.560  1.00  6.92  ?    A   34
  ATOM O ' O  ' ILE A   34 ?   13.168   18.006    6.945  1.00  9.22  ?    A   34
  ATOM C ' CB ' ILE A   34 ?   11.987   16.360    4.681  1.00  8.11  ?    A   34
  ATOM C ' CG1' ILE A   34 ?   10.914   15.338    4.163  1.00  9.59  ?    A   34
  ATOM C ' CG2' ILE A   34 ?   13.131   16.517    3.629  1.00  9.73  ?    A   34
  ATOM C ' CD1' ILE A   34 ?   10.151   16.024    2.938  1.00 13.41  ?    A   34
  ATOM N ' N  ' ILE A   35 ?   14.856   16.493    6.536  1.00  7.06  ?    A   35
  ATOM C ' CA ' ILE A   35 ?   15.930   17.454    6.941  1.00  7.52  ?    A   35
  ATOM C ' C  ' ILE A   35 ?   16.913   17.550    5.819  1.00  6.63  ?    A   35
  ATOM O ' O  ' ILE A   35 ?   17.097   16.660    4.970  1.00  7.90  ?    A   35
  ATOM C ' CB ' ILE A   35 ?   16.622   16.995    8.285  1.00  8.07  ?    A   35
  ATOM C ' CG1' ILE A   35 ?   17.360   15.651    8.067  1.00  9.41  ?    A   35
  ATOM C ' CG2' ILE A   35 ?   15.592   16.974    9.434  1.00  9.46  ?    A   35
  ATOM C ' CD1' ILE A   35 ?   18.298   15.206    9.219  1.00  9.85  ?    A   35
  ATOM N ' N  ' PRO A   36 ?   17.664   18.669    5.806  1.00  8.07  ?    A   36
  ATOM C ' CA ' PRO A   36 ?   18.635   18.861    4.738  1.00  8.78  ?    A   36
  ATOM C ' C  ' PRO A   36 ?   19.925   18.042    4.949  1.00  8.31  ?    A   36
  ATOM O ' O  ' PRO A   36 ?   20.593   17.742    3.945  1.00  9.09  ?    A   36
  ATOM C ' CB ' PRO A   36 ?   18.945   20.364    4.783  1.00  9.67  ?    A   36
  ATOM C ' CG ' PRO A   36 ?   18.238   20.937    5.908  1.00 10.15  ?    A   36
  ATOM C ' CD ' PRO A   36 ?   17.371   19.900    6.596  1.00  9.53  ?    A   36
  ATOM N ' N  ' GLY A   37 ?   20.172   17.730    6.217  1.00  8.48  ?    A   37
  ATOM C ' CA ' GLY A   37 ?   21.452   16.969    6.513  1.00  9.20  ?    A   37
  ATOM C ' C  ' GLY A   37 ?   21.143   15.478    6.427  1.00 10.41  ?    A   37
  ATOM O ' O  ' GLY A   37 ?   20.138   15.023    5.878  1.00 12.06  ?    A   37
  ATOM N ' N  ' ALA A   38 ?   22.055   14.701    7.032  1.00  9.24  ?    A   38
  ATOM C ' CA ' ALA A   38 ?   22.019   13.242    7.020  1.00  9.24  ?    A   38
  ATOM C ' C  ' ALA A   38 ?   21.944   12.628    8.396  1.00  9.60  ?    A   38
  ATOM O ' O  ' ALA A   38 ?   21.869   11.387    8.435  1.00 13.65  ?    A   38
  ATOM C ' CB ' ALA A   38 ?   23.246   12.697    6.275  1.00 10.43  ?    A   38
  ATOM N ' N  ' THR A   39 ?   21.894   13.435    9.436  1.00  8.70  ?    A   39
  ATOM C ' CA ' THR A   39 ?   21.936   12.911   10.809  1.00  9.46  ?    A   39
  ATOM C ' C  ' THR A   39 ?   20.615   13.191   11.521  1.00  8.32  ?    A   39
  ATOM O ' O  ' THR A   39 ?   20.357   14.317   11.948  1.00  9.89  ?    A   39
  ATOM C ' CB ' THR A   39 ?   23.131   13.601   11.593  1.00 10.72  ?    A   39
  ATOM O ' OG1' THR A   39 ?   24.284   13.401   10.709  1.00 11.66  ?    A   39
  ATOM C ' CG2' THR A   39 ?   23.340   12.935   12.962  1.00 11.81  ?    A   39
  ATOM N ' N  ' CYS A   40 ?   19.827   12.110   11.642  1.00  7.64  ?    A   40
  ATOM C ' CA ' CYS A   40 ?   18.504   12.312   12.298  1.00  8.05  ?    A   40
  ATOM C ' C  ' CYS A   40 ?   18.684   12.451   13.784  1.00  7.63  ?    A   40
  ATOM O ' O  ' CYS A   40 ?   19.533   11.718   14.362  1.00  9.64  ?    A   40
  ATOM C ' CB ' CYS A   40 ?   17.582   11.117   11.996  1.00  7.80  ?    A   40
  ATOM S ' SG ' CYS A   40 ?   17.199   10.929   10.237  1.00  7.30  ?    A   40
  ATOM N ' N  ' PRO A   41 ?   17.880   13.266   14.426  1.00  8.00  ?    A   41
  ATOM C ' CA ' PRO A   41 ?   17.924   13.421   15.877  1.00  8.96  ?    A   41
  ATOM C ' C  ' PRO A   41 ?   17.392   12.206   16.594  1.00  9.06  ?    A   41
  ATOM O ' O  ' PRO A   41 ?   16.652   11.368   16.033  1.00  8.82  ?    A   41
  ATOM C ' CB ' PRO A   41 ?   17.076   14.658   16.145  1.00 10.39  ?    A   41
  ATOM C ' CG ' PRO A   41 ?   16.098   14.689   14.997  1.00 10.99  ?    A   41
  ATOM C ' CD ' PRO A   41 ?   16.859   14.150   13.779  1.00 10.49  ?    A   41
  ATOM N ' N  ' GLY A   42 ?   17.728   12.124   17.884  1.00  7.55  ?    A   42
  ATOM C ' CA ' GLY A   42 ?   17.334   10.956   18.691  1.00  8.00  ?    A   42
  ATOM C ' C  ' GLY A   42 ?   15.875   10.688   18.871  1.00  7.22  ?    A   42
  ATOM O ' O  ' GLY A   42 ?   15.434    9.550   19.166  1.00  8.41  ?    A   42
  ATOM N ' N  ' ASP A   43 ?   15.036   11.747   18.715  1.00  5.54  ?    A   43
  ATOM C ' CA ' ASP A   43 ?   13.564   11.573   18.836  1.00  5.85  ?    A   43
  ATOM C ' C  ' ASP A   43 ?   12.936   11.227   17.470  1.00  5.87  ?    A   43
  ATOM O ' O  ' ASP A   43 ?   11.720   11.040   17.428  1.00  7.29  ?    A   43
  ATOM C ' CB ' ASP A   43 ?   12.933   12.737   19.580  1.00  6.72  ?    A   43
  ATOM C ' CG ' ASP A   43 ?   13.140   14.094   18.958  1.00  8.59  ?    A   43
  ATOM O ' OD1' ASP A   43 ?   14.109   14.303   18.212  1.00  9.59  ?    A   43
  ATOM O ' OD2' ASP A   43 ?   12.267   14.963   19.265  1.00 11.45  ?    A   43
  ATOM N ' N  ' TYR A   44 ?   13.725   11.174   16.425  1.00  5.22  ?    A   44
  ATOM C ' CA ' TYR A   44 ?   13.257   10.745   15.081  1.00  5.56  ?    A   44
  ATOM C ' C  ' TYR A   44 ?   14.275    9.687   14.612  1.00  4.61  ?    A   44
  ATOM O ' O  ' TYR A   44 ?   14.930    9.862   13.568  1.00  6.04  ?    A   44
  ATOM C ' CB ' TYR A   44 ?   13.200   11.914   14.071  1.00  5.41  ?    A   44
  ATOM C ' CG ' TYR A   44 ?   12.000   12.819   14.399  1.00  5.34  ?    A   44
  ATOM C ' CD1' TYR A   44 ?   12.119   13.853   15.332  1.00  6.59  ?    A   44
  ATOM C ' CD2' TYR A   44 ?   10.775   12.617   13.762  1.00  5.94  ?    A   44
  ATOM C ' CE1' TYR A   44 ?   11.045   14.675   15.610  1.00  5.97  ?    A   44
  ATOM C ' CE2' TYR A   44 ?    9.676   13.433   14.048  1.00  5.17  ?    A   44
  ATOM C ' CZ ' TYR A   44 ?    9.802   14.456   14.996  1.00  5.96  ?    A   44
  ATOM O ' OH ' TYR A   44 ?    8.740   15.265   15.269  1.00  8.60  ?    A   44
  ATOM N ' N  ' ALA A   45 ?   14.342    8.640   15.422  1.00  4.76  ?    A   45
  ATOM C ' CA ' ALA A   45 ?   15.445    7.667   15.246  1.00  5.89  ?    A   45
  ATOM C ' C  ' ALA A   45 ?   15.171    6.533   14.280  1.00  6.67  ?    A   45
  ATOM O ' O  ' ALA A   45 ?   16.093    5.705   14.039  1.00  7.56  ?    A   45
  ATOM C ' CB ' ALA A   45 ?   15.680    7.099   16.682  1.00  6.82  ?    A   45
  ATOM N ' N  ' ASN A   46 ?   13.966    6.502   13.739  1.00  5.80  ?    A   46
  ATOM C ' CA ' ASN A   46 ?   13.512    5.395   12.878  1.00  6.15  ?    A   46
  ATOM C ' C  ' ASN A   46 ?   13.311    5.853   11.455  1.00  6.61  ?    A   46
  ATOM O ' O  ' ASN A   46 ?   13.733    6.929   11.026  1.00  7.18  ?    A   46
  ATOM C ' CB ' ASN A   46 ?   12.266    4.769   13.501  1.00  7.27  ?    A   46
  ATOM C ' CG ' ASN A   46 ?   12.538    4.304   14.922  1.00  7.98  ?    A   46
  ATOM O ' OD1' ASN A   46 ?   11.982    4.849   15.886  1.00 11.00  ?    A   46
  ATOM N ' ND2' ASN A   46 ?   13.407    3.298   15.015  1.00 10.32  ?    A   46
  ATOM O ' OXT' ASN A   46 ?   12.703    4.973   10.746  1.00  7.86  ?    A   46

# REMARK records parsed 	=    62;# specified by PDB 	=    62
# FTNOTE records parsed 	=     0;# specified by PDB 	=     0
# HET records parsed 		=     0;# specified by PDB 	=     0
# HELIX records parsed 		=     2;# specified by PDB 	=     2
# SHEET records parsed 		=     2;# specified by PDB 	=     2
# TURN records parsed 		=     1;# specified by PDB 	=     1
# SITE records parsed 		=     0;# specified by PDB 	=     0
# AT+HET records parsed 	=   327;# specified by PDB 	=   327
# CONECT records parsed 	=     6;# specified by PDB 	=     6
# SEQRES records parsed 	=     4;# specified by PDB 	=     4

# Total of   426 records processed from PDB file
