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Database: PDB
Entry: 2GIW
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Original site: 2GIW 
HEADER    ELECTRON TRANSPORT                      25-JUN-98   2GIW              
TITLE     SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR,          
TITLE    2 40 STRUCTURES                                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOCHROME C;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 OTHER_DETAILS: REDUCED                                               
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS;                                 
SOURCE   3 ORGANISM_COMMON: HORSE;                                              
SOURCE   4 ORGANISM_TAXID: 9796;                                                
SOURCE   5 ORGAN: HEART                                                         
KEYWDS    ELECTRON TRANSPORT, CYTOCHROME C                                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    40                                                                    
AUTHOR    L.BANCI,I.BERTINI,J.G.HUBER,G.A.SPYROULIAS,P.TURANO                   
REVDAT   3   24-FEB-09 2GIW    1       VERSN                                    
REVDAT   2   27-JAN-99 2GIW    3       ATOM   REMARK JRNL                       
REVDAT   1   09-DEC-98 2GIW    0                                                
JRNL        AUTH   L.BANCI,I.BERTINI,J.G.HUBER,G.A.SPYROULIAS,P.TURANO          
JRNL        TITL   SOLUTION STRUCTURE OF REDUCED HORSE HEART                    
JRNL        TITL 2 CYTOCHROME C.                                                
JRNL        REF    J.BIOL.INORG.CHEM.            V.   4    21 1999              
JRNL        REFN                   ISSN 0949-8257                               
JRNL        PMID   10499099                                                     
JRNL        DOI    10.1007/S007750050285                                        
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   L.BANCI,I.BERTINI,H.B.GRAY,C.LUCHINAT,T.REDDIG,              
REMARK   1  AUTH 2 A.ROSATO,P.TURANO                                            
REMARK   1  TITL   SOLUTION STRUCTURE OF OXIDIZED HORSE HEART                   
REMARK   1  TITL 2 CYTOCHROME C                                                 
REMARK   1  REF    BIOCHEMISTRY                  V.  36  9867 1997              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   P.X.QI,D.L.DI STEFANO,A.J.WAND                               
REMARK   1  TITL   SOLUTION STRUCTURE OF HORSE HEART FERROCYTOCHROME            
REMARK   1  TITL 2 C DETERMINED BY HIGH-RESOLUTION NMR AND RESTRAINED           
REMARK   1  TITL 3 SIMULATED ANNEALING                                          
REMARK   1  REF    BIOCHEMISTRY                  V.  33  6408 1994              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER                                                
REMARK   3   AUTHORS     : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,      
REMARK   3                 SEIBEL,SINGH,WEINER,KOLLMAN                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN        
REMARK   3  THE JRNL CITATION ABOVE.                                            
REMARK   4                                                                      
REMARK   4 2GIW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 100 MM PHOSPHATE                   
REMARK 210  PRESSURE                       : 1013 MBAR                          
REMARK 210  SAMPLE CONTENTS                : H2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY TOCSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE 800                         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA, AMBER                       
REMARK 210   METHOD USED                   : SIMULATED ANNEALING TORSION        
REMARK 210                                   ANGLE DYNAMICS, RESTRAINED         
REMARK 210                                   ENERGY MINIMIZATION                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 40                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 40                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LEAST RESTRAINT VIOLATION          
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING NOES OF 1H NMR.           
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 LYS A  13       -0.22   -140.17                                   
REMARK 500  1 GLU A  21       30.64   -151.69                                   
REMARK 500  1 LYS A  22     -179.84    179.18                                   
REMARK 500  1 LYS A  27      -80.33    -77.33                                   
REMARK 500  1 LEU A  35      -80.67     69.58                                   
REMARK 500  1 GLN A  42       78.89   -166.80                                   
REMARK 500  1 THR A  47       35.80    -98.61                                   
REMARK 500  1 TYR A  48     -162.57     63.91                                   
REMARK 500  1 GLU A  61       43.76    -75.48                                   
REMARK 500  1 GLU A  62      -60.31   -137.68                                   
REMARK 500  1 PHE A  82       75.06   -161.98                                   
REMARK 500  1 LYS A  86      -64.02   -170.90                                   
REMARK 500  1 LYS A  87      -57.65   -167.89                                   
REMARK 500  1 LYS A  88      -50.27   -171.24                                   
REMARK 500  2 LYS A  13       31.38   -146.81                                   
REMARK 500  2 CYS A  14      -47.60   -138.40                                   
REMARK 500  2 VAL A  20      109.47    -51.34                                   
REMARK 500  2 GLU A  21       41.63   -163.62                                   
REMARK 500  2 LYS A  22       56.84     34.99                                   
REMARK 500  2 HIS A  26      -91.46   -119.44                                   
REMARK 500  2 LYS A  27      -61.77     75.93                                   
REMARK 500  2 PHE A  36       98.08    -69.32                                   
REMARK 500  2 LYS A  39      106.50    -39.77                                   
REMARK 500  2 GLN A  42       78.76   -175.77                                   
REMARK 500  2 TYR A  48     -167.31     53.34                                   
REMARK 500  2 ILE A  57     -158.83    -98.99                                   
REMARK 500  2 TRP A  59      102.38     50.13                                   
REMARK 500  2 GLU A  61       35.14    -71.67                                   
REMARK 500  2 GLU A  62      -56.77   -137.91                                   
REMARK 500  2 ASN A  70       74.37   -154.94                                   
REMARK 500  2 ALA A  83      -69.16   -123.21                                   
REMARK 500  2 ILE A  85      -83.63   -122.64                                   
REMARK 500  2 LYS A  86       74.05   -170.00                                   
REMARK 500  2 LYS A  87      -75.19     64.91                                   
REMARK 500  2 LYS A  88      -35.81   -157.44                                   
REMARK 500  3 ASP A   2      -45.76   -139.54                                   
REMARK 500  3 VAL A   3      -36.44    100.67                                   
REMARK 500  3 VAL A  20      108.24    -46.07                                   
REMARK 500  3 GLU A  21       35.80   -157.42                                   
REMARK 500  3 LYS A  22       56.36     31.36                                   
REMARK 500  3 HIS A  26      -88.83    -86.23                                   
REMARK 500  3 LYS A  27       75.19     65.47                                   
REMARK 500  3 LEU A  35      -81.76     60.06                                   
REMARK 500  3 PHE A  36       99.61    -48.85                                   
REMARK 500  3 GLN A  42      102.45   -173.74                                   
REMARK 500  3 THR A  47       36.92    -84.59                                   
REMARK 500  3 TYR A  48     -177.06     52.63                                   
REMARK 500  3 TRP A  59       60.41     31.67                                   
REMARK 500  3 GLU A  61       39.20    -71.96                                   
REMARK 500  3 GLU A  62      -57.69   -140.36                                   
REMARK 500  3 ASN A  70       68.42   -150.80                                   
REMARK 500  3 ALA A  83       72.21   -107.33                                   
REMARK 500  3 ILE A  85      -67.39   -155.93                                   
REMARK 500  3 LYS A  86      -82.07   -163.88                                   
REMARK 500  3 LYS A  87       78.75   -174.26                                   
REMARK 500  3 LYS A  88      -68.95     63.21                                   
REMARK 500  4 GLU A  21       46.11   -155.25                                   
REMARK 500  4 LYS A  22       76.27     66.35                                   
REMARK 500  4 LYS A  25      136.05     73.71                                   
REMARK 500  4 LEU A  35      -78.13   -108.94                                   
REMARK 500  4 PHE A  36      107.66    -45.34                                   
REMARK 500  4 THR A  40     -159.61    -79.81                                   
REMARK 500  4 GLN A  42      109.21    179.38                                   
REMARK 500  4 THR A  47       32.80    -85.53                                   
REMARK 500  4 TYR A  48      178.91     57.49                                   
REMARK 500  4 TRP A  59       55.47     30.44                                   
REMARK 500  4 GLU A  61       45.91    -76.83                                   
REMARK 500  4 GLU A  62      -61.26   -141.12                                   
REMARK 500  4 ALA A  83       80.93   -169.11                                   
REMARK 500  4 ILE A  85      -48.61   -158.89                                   
REMARK 500  4 LYS A  86      -68.73   -146.46                                   
REMARK 500  4 LYS A  87      -61.81   -170.01                                   
REMARK 500  4 LYS A  88      -57.78   -158.08                                   
REMARK 500  5 GLU A  21      -40.76   -165.18                                   
REMARK 500  5 HIS A  26      -99.56    -68.22                                   
REMARK 500  5 LYS A  27       49.44     74.30                                   
REMARK 500  5 ASN A  31      105.74    -49.86                                   
REMARK 500  5 HIS A  33      -61.06     66.82                                   
REMARK 500  5 LEU A  35      -66.72    -92.41                                   
REMARK 500  5 THR A  40     -156.61    -76.71                                   
REMARK 500  5 GLN A  42      107.23    178.86                                   
REMARK 500  5 THR A  47       52.00   -141.12                                   
REMARK 500  5 TYR A  48     -156.77     71.40                                   
REMARK 500  5 GLU A  62      -54.87   -156.87                                   
REMARK 500  5 ASN A  70       69.87   -150.29                                   
REMARK 500  5 ALA A  83      112.17   -162.16                                   
REMARK 500  5 ILE A  85      -58.17   -139.59                                   
REMARK 500  5 LYS A  86      -55.56   -168.97                                   
REMARK 500  5 LYS A  87      -63.86   -164.58                                   
REMARK 500  5 LYS A  88      -48.49   -167.92                                   
REMARK 500  5 ASN A 103       43.12   -151.39                                   
REMARK 500  6 VAL A   3      -58.76     82.37                                   
REMARK 500  6 GLU A  21      -59.51   -152.80                                   
REMARK 500  6 LYS A  27      107.72     85.70                                   
REMARK 500  6 LEU A  35      -87.67     47.81                                   
REMARK 500  6 PHE A  36      100.87    -51.08                                   
REMARK 500  6 THR A  40     -179.47    -66.04                                   
REMARK 500  6 GLN A  42       98.06   -164.44                                   
REMARK 500  6 TYR A  48     -166.04     75.90                                   
REMARK 500  6 TRP A  59       60.06     28.77                                   
REMARK 500  6 GLU A  61       37.42    -72.33                                   
REMARK 500  6 GLU A  62      -57.12   -141.40                                   
REMARK 500  6 ALA A  83       53.38   -165.73                                   
REMARK 500  6 ILE A  85      -40.64   -153.58                                   
REMARK 500  6 LYS A  86      -80.16   -138.44                                   
REMARK 500  6 LYS A  87      -60.07   -161.76                                   
REMARK 500  6 LYS A  88      -47.12   -153.13                                   
REMARK 500  6 ASN A 103       37.71   -145.73                                   
REMARK 500  7 VAL A   3      -35.09     71.08                                   
REMARK 500  7 LYS A  13       25.90   -143.54                                   
REMARK 500  7 CYS A  14      -45.97   -132.62                                   
REMARK 500  7 GLU A  21       38.37   -159.06                                   
REMARK 500  7 THR A  28        4.22     99.75                                   
REMARK 500  7 LEU A  35      -85.78   -110.41                                   
REMARK 500  7 PHE A  36      110.02    -37.53                                   
REMARK 500  7 GLN A  42      110.50   -171.74                                   
REMARK 500  7 TYR A  48     -162.51     63.16                                   
REMARK 500  7 THR A  58       31.33   -144.82                                   
REMARK 500  7 TRP A  59       64.31     19.96                                   
REMARK 500  7 LYS A  79       36.51    -85.23                                   
REMARK 500  7 ALA A  83      138.85   -171.36                                   
REMARK 500  7 ILE A  85      -89.52   -153.02                                   
REMARK 500  7 LYS A  86      -85.04   -141.49                                   
REMARK 500  7 LYS A  87       80.01   -171.45                                   
REMARK 500  7 LYS A  88      -64.31     63.37                                   
REMARK 500  7 THR A  89      -72.02    -27.58                                   
REMARK 500  8 ASP A   2     -116.29    -95.12                                   
REMARK 500  8 VAL A   3      -47.76   -164.97                                   
REMARK 500  8 GLU A  21      -47.89   -172.31                                   
REMARK 500  8 LYS A  22       55.28     72.20                                   
REMARK 500  8 THR A  28        9.26     93.37                                   
REMARK 500  8 GLN A  42      111.74    170.46                                   
REMARK 500  8 THR A  47       48.85    -79.46                                   
REMARK 500  8 TYR A  48     -159.97     61.89                                   
REMARK 500  8 ILE A  57     -157.31    -83.44                                   
REMARK 500  8 THR A  58       33.79   -149.73                                   
REMARK 500  8 TRP A  59       69.81     14.85                                   
REMARK 500  8 GLU A  61       39.00    -70.56                                   
REMARK 500  8 GLU A  62      -58.56   -140.38                                   
REMARK 500  8 ASN A  70       78.68   -159.15                                   
REMARK 500  8 PHE A  82       61.69   -161.56                                   
REMARK 500  8 LYS A  86      -56.93   -162.82                                   
REMARK 500  8 LYS A  87      -68.33   -171.57                                   
REMARK 500  8 LYS A  88       54.14   -179.78                                   
REMARK 500  8 THR A  89      -49.52   -153.30                                   
REMARK 500  9 ASP A   2      -93.99   -135.96                                   
REMARK 500  9 VAL A   3      -56.20   -174.80                                   
REMARK 500  9 LYS A  13       29.37   -145.72                                   
REMARK 500  9 CYS A  14      -45.63   -138.36                                   
REMARK 500  9 GLU A  21       30.72   -155.43                                   
REMARK 500  9 LYS A  22     -171.73     62.41                                   
REMARK 500  9 HIS A  26     -157.03     60.82                                   
REMARK 500  9 LYS A  27       65.89     84.60                                   
REMARK 500  9 LEU A  32       47.27    -78.51                                   
REMARK 500  9 LEU A  35      -80.40     66.12                                   
REMARK 500  9 LYS A  39      105.64    -52.30                                   
REMARK 500  9 GLN A  42       86.93   -155.92                                   
REMARK 500  9 ILE A  57     -161.94   -114.91                                   
REMARK 500  9 TRP A  59       71.00     17.39                                   
REMARK 500  9 ASN A  70       84.70   -157.05                                   
REMARK 500  9 PHE A  82       72.44   -162.92                                   
REMARK 500  9 LYS A  86      -64.99   -179.25                                   
REMARK 500  9 LYS A  87      -62.76   -166.86                                   
REMARK 500  9 LYS A  88      -46.83   -164.97                                   
REMARK 500  9 THR A 102      -38.47    -39.57                                   
REMARK 500  9 ASN A 103       53.23   -140.75                                   
REMARK 500 10 VAL A   3      -59.30     70.88                                   
REMARK 500 10 THR A  19       47.46    -82.81                                   
REMARK 500 10 GLU A  21      -49.55   -167.77                                   
REMARK 500 10 HIS A  26     -118.69    -71.36                                   
REMARK 500 10 LYS A  27       70.24     97.86                                   
REMARK 500 10 LEU A  35      -58.86   -141.19                                   
REMARK 500 10 ARG A  38       91.85    -69.37                                   
REMARK 500 10 LYS A  39      103.94    -41.21                                   
REMARK 500 10 GLN A  42      116.56    178.39                                   
REMARK 500 10 PHE A  46       90.52     67.99                                   
REMARK 500 10 TYR A  48     -168.98     70.41                                   
REMARK 500 10 ILE A  57     -156.92    -73.53                                   
REMARK 500 10 THR A  58       34.20   -147.99                                   
REMARK 500 10 TRP A  59       69.84     17.82                                   
REMARK 500 10 GLU A  61       44.55    -77.71                                   
REMARK 500 10 GLU A  62      -58.57   -139.79                                   
REMARK 500 10 ASN A  70       79.53   -158.36                                   
REMARK 500 10 ILE A  81       70.34     50.99                                   
REMARK 500 10 ALA A  83      -90.84   -145.27                                   
REMARK 500 10 LYS A  86      -70.57   -163.41                                   
REMARK 500 10 LYS A  87      -60.51   -164.85                                   
REMARK 500 10 LYS A  88      -54.10   -161.20                                   
REMARK 500 10 ASN A 103       66.51   -152.65                                   
REMARK 500 11 LYS A  13       29.01   -142.08                                   
REMARK 500 11 CYS A  14      -48.64   -136.82                                   
REMARK 500 11 VAL A  20       99.74    -42.45                                   
REMARK 500 11 GLU A  21       40.83   -171.20                                   
REMARK 500 11 HIS A  26     -147.38    -81.55                                   
REMARK 500 11 LYS A  27      -61.82     69.43                                   
REMARK 500 11 HIS A  33       47.10    -77.75                                   
REMARK 500 11 LEU A  35      -79.16     60.60                                   
REMARK 500 11 GLN A  42       97.10   -163.56                                   
REMARK 500 11 TYR A  48     -160.95     68.35                                   
REMARK 500 11 TRP A  59       70.20     18.74                                   
REMARK 500 11 ASN A  70       70.70   -156.13                                   
REMARK 500 11 LYS A  79       36.25    -94.67                                   
REMARK 500 11 ALA A  83      -79.03   -157.21                                   
REMARK 500 11 ILE A  85      -62.24   -144.19                                   
REMARK 500 11 LYS A  86      -79.66   -165.38                                   
REMARK 500 11 LYS A  87       70.73   -174.93                                   
REMARK 500 11 LYS A  88      -60.48     66.98                                   
REMARK 500 12 VAL A   3      -59.15     69.69                                   
REMARK 500 12 VAL A  20      107.74    -42.08                                   
REMARK 500 12 GLU A  21       36.96   -177.28                                   
REMARK 500 12 LYS A  25      114.43     74.33                                   
REMARK 500 12 HIS A  33       -6.43    -55.35                                   
REMARK 500 12 LEU A  35     -161.26     61.33                                   
REMARK 500 12 PHE A  36       78.94     36.19                                   
REMARK 500 12 GLN A  42       99.87   -163.51                                   
REMARK 500 12 PRO A  44       86.40    -69.73                                   
REMARK 500 12 PHE A  46      -59.32   -138.62                                   
REMARK 500 12 THR A  47     -172.12     45.86                                   
REMARK 500 12 THR A  58       36.48   -141.10                                   
REMARK 500 12 TRP A  59       67.51     19.81                                   
REMARK 500 12 GLU A  61       26.85    -65.20                                   
REMARK 500 12 GLU A  62      -56.35   -128.68                                   
REMARK 500 12 ASN A  70       66.27   -153.86                                   
REMARK 500 12 LYS A  79       47.28    -77.98                                   
REMARK 500 12 ALA A  83       83.68   -163.83                                   
REMARK 500 12 ILE A  85      -51.88   -129.92                                   
REMARK 500 12 LYS A  86      -73.27   -137.57                                   
REMARK 500 12 LYS A  87      -61.30   -168.24                                   
REMARK 500 12 LYS A  88      -57.36   -150.09                                   
REMARK 500 13 GLU A  21       51.03   -168.67                                   
REMARK 500 13 LYS A  22       61.31     39.00                                   
REMARK 500 13 LYS A  27       89.54   -159.79                                   
REMARK 500 13 LEU A  35      -77.13    -29.17                                   
REMARK 500 13 PHE A  36       99.10    -44.73                                   
REMARK 500 13 GLN A  42       96.14   -164.66                                   
REMARK 500 13 THR A  47       42.36    -99.80                                   
REMARK 500 13 TYR A  48     -159.75     71.57                                   
REMARK 500 13 TRP A  59       62.84     30.42                                   
REMARK 500 13 GLU A  61       46.16    -75.86                                   
REMARK 500 13 GLU A  62      -59.07   -145.54                                   
REMARK 500 13 ASN A  70       73.34   -155.34                                   
REMARK 500 13 ALA A  83      -49.72   -157.01                                   
REMARK 500 13 LYS A  86     -106.38   -147.36                                   
REMARK 500 13 LYS A  87       88.86   -174.09                                   
REMARK 500 13 LYS A  88      -50.44     72.88                                   
REMARK 500 13 ASN A 103       54.32   -143.28                                   
REMARK 500 14 ASP A   2     -123.95    -92.32                                   
REMARK 500 14 VAL A   3      -52.34   -158.19                                   
REMARK 500 14 GLU A  21      -57.38   -157.51                                   
REMARK 500 14 LYS A  27      107.50     84.92                                   
REMARK 500 14 ASN A  31       99.90    -53.06                                   
REMARK 500 14 HIS A  33      -75.58     57.55                                   
REMARK 500 14 LYS A  39      100.95    -44.60                                   
REMARK 500 14 GLN A  42       78.74   -166.35                                   
REMARK 500 14 TYR A  48     -171.71     57.57                                   
REMARK 500 14 ILE A  57     -150.08    -81.41                                   
REMARK 500 14 THR A  58       42.13   -147.20                                   
REMARK 500 14 TRP A  59       69.59     14.32                                   
REMARK 500 14 GLU A  61       45.11    -74.14                                   
REMARK 500 14 GLU A  62      -57.05   -140.87                                   
REMARK 500 14 ASN A  70       92.41   -162.30                                   
REMARK 500 14 LYS A  79       34.45    -90.81                                   
REMARK 500 14 ALA A  83      -88.50   -151.20                                   
REMARK 500 14 ILE A  85      -67.83   -136.88                                   
REMARK 500 14 LYS A  86      -61.88   -158.49                                   
REMARK 500 14 LYS A  87      -62.20   -167.47                                   
REMARK 500 14 LYS A  88      -63.74   -157.23                                   
REMARK 500 15 GLU A  21       43.67   -167.51                                   
REMARK 500 15 LYS A  22      165.54    174.35                                   
REMARK 500 15 HIS A  26      -76.30    -59.67                                   
REMARK 500 15 THR A  28       -8.30     86.22                                   
REMARK 500 15 ASN A  31      109.98    -55.83                                   
REMARK 500 15 HIS A  33       76.70     27.87                                   
REMARK 500 15 LEU A  35      -80.39     60.59                                   
REMARK 500 15 LYS A  39      101.22    -34.35                                   
REMARK 500 15 GLN A  42      126.51   -177.71                                   
REMARK 500 15 PRO A  44     -117.41    -80.45                                   
REMARK 500 15 PHE A  46      -65.66   -166.76                                   
REMARK 500 15 TYR A  48     -163.39     57.15                                   
REMARK 500 15 TRP A  59       66.51     26.20                                   
REMARK 500 15 GLU A  61       27.64    -69.40                                   
REMARK 500 15 GLU A  62      -59.46   -123.11                                   
REMARK 500 15 ASN A  70       71.75   -152.23                                   
REMARK 500 15 ALA A  83      -48.18   -163.97                                   
REMARK 500 15 ILE A  85      -49.92   -159.11                                   
REMARK 500 15 LYS A  86     -111.69   -154.14                                   
REMARK 500 15 LYS A  87       97.10   -167.80                                   
REMARK 500 15 LYS A  88      -61.52     67.37                                   
REMARK 500 16 ASP A   2     -104.56   -125.39                                   
REMARK 500 16 VAL A   3      -47.88   -171.56                                   
REMARK 500 16 LYS A  13       -3.36   -141.37                                   
REMARK 500 16 HIS A  18       72.95   -115.00                                   
REMARK 500 16 VAL A  20       43.71    -51.34                                   
REMARK 500 16 GLU A  21       39.56   -150.31                                   
REMARK 500 16 LYS A  22     -160.52     45.49                                   
REMARK 500 16 LYS A  25      -80.82     61.64                                   
REMARK 500 16 HIS A  26      -72.91   -141.53                                   
REMARK 500 16 PHE A  36       99.06    -63.21                                   
REMARK 500 16 LYS A  39      109.73    -48.77                                   
REMARK 500 16 GLN A  42      -83.54   -144.25                                   
REMARK 500 16 ALA A  43      109.53     68.95                                   
REMARK 500 16 TYR A  48     -164.14   -117.68                                   
REMARK 500 16 THR A  49      162.79    -49.73                                   
REMARK 500 16 ILE A  57     -156.76   -103.73                                   
REMARK 500 16 TRP A  59       68.35     18.05                                   
REMARK 500 16 ALA A  83      -52.86   -160.59                                   
REMARK 500 16 ILE A  85      -50.41   -148.30                                   
REMARK 500 16 LYS A  86      -73.50   -140.59                                   
REMARK 500 16 LYS A  87      -61.69   -175.49                                   
REMARK 500 16 LYS A  88      -48.76   -154.09                                   
REMARK 500 16 THR A 102       -4.09    -59.72                                   
REMARK 500 16 ASN A 103      -66.06   -133.41                                   
REMARK 500 17 LYS A  13       -3.29   -141.21                                   
REMARK 500 17 VAL A  20       74.21    -68.92                                   
REMARK 500 17 GLU A  21      -44.64   -165.47                                   
REMARK 500 17 LYS A  27      -84.89   -148.72                                   
REMARK 500 17 HIS A  33       49.53    -85.02                                   
REMARK 500 17 LEU A  35      -80.07   -103.36                                   
REMARK 500 17 THR A  40     -158.06    -84.12                                   
REMARK 500 17 GLN A  42      101.27   -169.28                                   
REMARK 500 17 THR A  47     -167.87     45.25                                   
REMARK 500 17 TRP A  59       57.51     33.15                                   
REMARK 500 17 GLU A  61       44.15    -77.36                                   
REMARK 500 17 GLU A  62      -62.17   -140.20                                   
REMARK 500 17 ASN A  70       65.99   -154.45                                   
REMARK 500 17 ILE A  81       71.42     50.04                                   
REMARK 500 17 PHE A  82      -51.57   -143.12                                   
REMARK 500 17 ALA A  83      -62.77     69.33                                   
REMARK 500 17 LYS A  86      -58.04   -165.69                                   
REMARK 500 17 LYS A  87      -56.61   -176.72                                   
REMARK 500 17 LYS A  88      -56.30   -165.15                                   
REMARK 500 18 LYS A  13       14.14   -142.10                                   
REMARK 500 18 GLU A  21      -37.38   -174.79                                   
REMARK 500 18 HIS A  26       48.65    -90.86                                   
REMARK 500 18 GLN A  42      -70.94   -148.89                                   
REMARK 500 18 ALA A  43      171.18     59.10                                   
REMARK 500 18 THR A  47       43.43    -82.68                                   
REMARK 500 18 TYR A  48     -169.65     52.21                                   
REMARK 500 18 ILE A  57     -149.27   -100.11                                   
REMARK 500 18 THR A  58       36.15   -147.00                                   
REMARK 500 18 TRP A  59       80.34     23.80                                   
REMARK 500 18 ASN A  70       77.33   -152.46                                   
REMARK 500 18 ALA A  83      -46.61   -161.77                                   
REMARK 500 18 ILE A  85      -35.75   -141.54                                   
REMARK 500 18 LYS A  86      -76.71   -146.18                                   
REMARK 500 18 LYS A  87      -62.44   -168.04                                   
REMARK 500 18 LYS A  88      -47.17   -153.57                                   
REMARK 500 19 ASP A   2      -98.75   -102.77                                   
REMARK 500 19 VAL A   3      -47.36    178.41                                   
REMARK 500 19 GLU A  21       53.47   -166.25                                   
REMARK 500 19 LYS A  22       48.89     36.20                                   
REMARK 500 19 HIS A  26      -76.88    -43.06                                   
REMARK 500 19 LYS A  27       71.93     62.62                                   
REMARK 500 19 LEU A  35      -81.00     54.52                                   
REMARK 500 19 PHE A  36      108.86    -52.57                                   
REMARK 500 19 LYS A  39      106.72    -53.28                                   
REMARK 500 19 GLN A  42       95.03   -162.63                                   
REMARK 500 19 THR A  47     -159.30     45.74                                   
REMARK 500 19 ILE A  57     -149.89    -92.26                                   
REMARK 500 19 THR A  58       23.07   -144.27                                   
REMARK 500 19 TRP A  59       68.67     22.37                                   
REMARK 500 19 GLU A  61       45.98    -73.77                                   
REMARK 500 19 GLU A  62      -60.04   -142.34                                   
REMARK 500 19 ASN A  70       69.21   -150.13                                   
REMARK 500 19 PRO A  76       86.16    -69.66                                   
REMARK 500 19 ALA A  83       46.87   -163.35                                   
REMARK 500 19 ILE A  85      -48.08   -135.52                                   
REMARK 500 19 LYS A  86      -67.83   -167.18                                   
REMARK 500 19 LYS A  87      -66.84   -167.29                                   
REMARK 500 19 LYS A  88      -47.05   -151.03                                   
REMARK 500 20 CYS A  14      -46.96   -135.39                                   
REMARK 500 20 GLU A  21      -43.68   -154.71                                   
REMARK 500 20 HIS A  26       61.88   -109.28                                   
REMARK 500 20 ASN A  31       99.97    -61.25                                   
REMARK 500 20 HIS A  33       89.90     -2.45                                   
REMARK 500 20 LEU A  35      -78.54     46.96                                   
REMARK 500 20 PHE A  36       95.17    -65.19                                   
REMARK 500 20 THR A  40     -159.31    -87.87                                   
REMARK 500 20 GLN A  42       64.19    179.10                                   
REMARK 500 20 TRP A  59       68.41     20.58                                   
REMARK 500 20 GLU A  61       48.58    -72.95                                   
REMARK 500 20 GLU A  62      -62.38   -145.65                                   
REMARK 500 20 ALA A  83       82.89   -158.20                                   
REMARK 500 20 LYS A  86      -62.32   -167.90                                   
REMARK 500 20 LYS A  87      -60.88   -162.00                                   
REMARK 500 20 LYS A  88      -60.07   -173.83                                   
REMARK 500 20 ASN A 103       48.92   -144.82                                   
REMARK 500 21 GLU A  21      -72.61   -134.67                                   
REMARK 500 21 LYS A  22       43.62    -79.06                                   
REMARK 500 21 HIS A  26     -154.30    -81.94                                   
REMARK 500 21 LYS A  27       76.10     93.75                                   
REMARK 500 21 LEU A  32       48.88    -80.91                                   
REMARK 500 21 LYS A  39      100.77    -49.36                                   
REMARK 500 21 ALA A  43      102.03     51.24                                   
REMARK 500 21 PHE A  46      156.60    174.58                                   
REMARK 500 21 ILE A  57     -154.91    -88.28                                   
REMARK 500 21 THR A  58       32.29   -145.66                                   
REMARK 500 21 TRP A  59       68.86     15.24                                   
REMARK 500 21 ASN A  70       81.88   -154.23                                   
REMARK 500 21 ALA A  83       81.15   -170.32                                   
REMARK 500 21 LYS A  86      -68.28   -145.69                                   
REMARK 500 21 LYS A  87      -69.17   -164.35                                   
REMARK 500 21 LYS A  88      -45.22   -150.56                                   
REMARK 500 21 ASN A 103       32.82   -150.98                                   
REMARK 500 22 LYS A  13       22.87   -145.75                                   
REMARK 500 22 CYS A  14      -41.81   -137.13                                   
REMARK 500 22 GLU A  21       47.45   -154.22                                   
REMARK 500 22 PHE A  36      107.33    -49.91                                   
REMARK 500 22 THR A  40     -161.67    -72.12                                   
REMARK 500 22 GLN A  42      -93.86   -150.25                                   
REMARK 500 22 ALA A  43       73.92     50.07                                   
REMARK 500 22 THR A  47     -160.41     40.20                                   
REMARK 500 22 TRP A  59       67.63     36.81                                   
REMARK 500 22 GLU A  61       44.09    -73.55                                   
REMARK 500 22 GLU A  62      -56.48   -139.45                                   
REMARK 500 22 ASN A  70       71.52   -160.27                                   
REMARK 500 22 ALA A  83      -48.72   -148.42                                   
REMARK 500 22 ILE A  85      -62.75   -129.42                                   
REMARK 500 22 LYS A  86      -72.16   -142.15                                   
REMARK 500 22 LYS A  87      -53.03   -166.41                                   
REMARK 500 22 LYS A  88      -50.24   -160.98                                   
REMARK 500 23 LYS A  13       24.08   -140.02                                   
REMARK 500 23 CYS A  14      -42.38   -134.34                                   
REMARK 500 23 VAL A  20      106.32    -50.24                                   
REMARK 500 23 GLU A  21       42.76   -170.31                                   
REMARK 500 23 LYS A  22       59.89     32.38                                   
REMARK 500 23 LYS A  27      106.69     83.15                                   
REMARK 500 23 LYS A  39       97.90    -49.57                                   
REMARK 500 23 GLN A  42      -74.24   -156.08                                   
REMARK 500 23 ALA A  43      106.08     64.78                                   
REMARK 500 23 ILE A  57     -156.17    -88.49                                   
REMARK 500 23 THR A  58       23.60   -146.33                                   
REMARK 500 23 TRP A  59       64.19     23.81                                   
REMARK 500 23 GLU A  61       39.77    -74.27                                   
REMARK 500 23 GLU A  62      -61.56   -139.07                                   
REMARK 500 23 ASN A  70       64.48   -150.80                                   
REMARK 500 23 ALA A  83     -107.29   -153.57                                   
REMARK 500 23 ILE A  85      -63.49   -106.50                                   
REMARK 500 23 LYS A  86      -82.11   -170.62                                   
REMARK 500 23 LYS A  87       71.20   -170.05                                   
REMARK 500 23 LYS A  88      -61.03     64.08                                   
REMARK 500 23 ASN A 103       41.56   -148.30                                   
REMARK 500 24 VAL A   3      -57.65     73.36                                   
REMARK 500 24 LYS A  13       26.97   -140.75                                   
REMARK 500 24 CYS A  14      -45.53   -131.66                                   
REMARK 500 24 GLU A  21      -55.74   -148.43                                   
REMARK 500 24 LYS A  25      118.48   -162.13                                   
REMARK 500 24 HIS A  26      -77.35    -87.64                                   
REMARK 500 24 LYS A  27      -55.36     66.91                                   
REMARK 500 24 THR A  28       15.36   -147.34                                   
REMARK 500 24 LEU A  32       79.83    -68.86                                   
REMARK 500 24 LEU A  35      167.74     60.26                                   
REMARK 500 24 PHE A  36      111.82     61.43                                   
REMARK 500 24 LYS A  39      107.35    -52.77                                   
REMARK 500 24 GLN A  42       95.49   -162.12                                   
REMARK 500 24 THR A  47       31.51    -83.34                                   
REMARK 500 24 TYR A  48     -178.91     67.78                                   
REMARK 500 24 ILE A  57     -159.58    -92.20                                   
REMARK 500 24 THR A  58       35.71   -141.44                                   
REMARK 500 24 TRP A  59       67.14     15.90                                   
REMARK 500 24 ASN A  70       68.53   -155.59                                   
REMARK 500 24 ALA A  83      -90.88   -146.84                                   
REMARK 500 24 ILE A  85      -70.59   -106.44                                   
REMARK 500 24 LYS A  86      -80.81   -165.15                                   
REMARK 500 24 LYS A  87       69.67   -169.16                                   
REMARK 500 24 LYS A  88      -58.57     65.64                                   
REMARK 500 25 LYS A  13       13.66   -141.48                                   
REMARK 500 25 GLU A  21      -37.98    177.27                                   
REMARK 500 25 LYS A  22       88.97   -176.93                                   
REMARK 500 25 HIS A  26     -135.01    -95.13                                   
REMARK 500 25 LYS A  27       94.41     73.01                                   
REMARK 500 25 LEU A  35      -76.55   -113.61                                   
REMARK 500 25 THR A  40     -168.72    -79.76                                   
REMARK 500 25 GLN A  42       74.35   -153.62                                   
REMARK 500 25 PRO A  44      -81.40    -68.03                                   
REMARK 500 25 PHE A  46      -62.59    173.35                                   
REMARK 500 25 THR A  47     -171.28     43.69                                   
REMARK 500 25 TRP A  59       66.09     20.55                                   
REMARK 500 25 GLU A  61       45.50    -73.20                                   
REMARK 500 25 GLU A  62      -59.44   -148.86                                   
REMARK 500 25 ALA A  83     -122.48   -159.56                                   
REMARK 500 25 ILE A  85      -41.46   -148.02                                   
REMARK 500 25 LYS A  86      -81.08   -131.00                                   
REMARK 500 25 LYS A  87      -55.07   -175.67                                   
REMARK 500 25 LYS A  88      -42.76   -157.95                                   
REMARK 500 25 ASN A 103       54.71   -150.62                                   
REMARK 500 26 GLU A  21      -43.27   -143.16                                   
REMARK 500 26 LYS A  22       44.29   -142.89                                   
REMARK 500 26 HIS A  26       59.95   -117.08                                   
REMARK 500 26 LYS A  27      -96.36    -82.95                                   
REMARK 500 26 LEU A  32       41.78    -78.85                                   
REMARK 500 26 LYS A  39      100.54    -53.28                                   
REMARK 500 26 GLN A  42      -89.23   -135.57                                   
REMARK 500 26 ALA A  43      109.73     70.11                                   
REMARK 500 26 ILE A  57     -167.62    -77.81                                   
REMARK 500 26 TRP A  59       62.21     19.44                                   
REMARK 500 26 LYS A  79       34.12    -88.05                                   
REMARK 500 26 ALA A  83      -44.37   -157.55                                   
REMARK 500 26 LYS A  86     -114.62   -132.88                                   
REMARK 500 26 LYS A  88      -62.14     67.20                                   
REMARK 500 27 VAL A   3      -58.29     73.24                                   
REMARK 500 27 GLU A  21       37.08   -173.89                                   
REMARK 500 27 LYS A  22       67.38     30.00                                   
REMARK 500 27 HIS A  26       52.13   -119.68                                   
REMARK 500 27 LYS A  27      -71.54    -81.25                                   
REMARK 500 27 LEU A  35      -83.32     58.06                                   
REMARK 500 27 PHE A  36      107.84    -55.00                                   
REMARK 500 27 THR A  40     -157.71    -84.09                                   
REMARK 500 27 GLN A  42      108.16   -175.92                                   
REMARK 500 27 PHE A  46       77.35   -100.49                                   
REMARK 500 27 TYR A  48     -158.66     56.89                                   
REMARK 500 27 ILE A  57     -159.01    -85.63                                   
REMARK 500 27 THR A  58       39.12   -141.29                                   
REMARK 500 27 TRP A  59       67.60     17.15                                   
REMARK 500 27 GLU A  61       36.67    -76.54                                   
REMARK 500 27 GLU A  62      -56.06   -137.34                                   
REMARK 500 27 ILE A  85      -64.99   -134.80                                   
REMARK 500 27 LYS A  86      -62.45   -167.99                                   
REMARK 500 27 LYS A  87      -56.13   -169.78                                   
REMARK 500 27 LYS A  88      -47.06   -176.20                                   
REMARK 500 27 ARG A  91        0.13    -67.19                                   
REMARK 500 28 GLU A  21       43.90   -162.28                                   
REMARK 500 28 LYS A  22       52.48     38.39                                   
REMARK 500 28 HIS A  26     -103.51    -78.46                                   
REMARK 500 28 LYS A  27       74.99     80.77                                   
REMARK 500 28 LEU A  35      -72.87   -116.09                                   
REMARK 500 28 THR A  40     -165.29    -79.09                                   
REMARK 500 28 GLN A  42      101.91   -170.14                                   
REMARK 500 28 THR A  47       42.56    -87.11                                   
REMARK 500 28 TYR A  48     -172.59     65.68                                   
REMARK 500 28 TRP A  59       59.80     27.06                                   
REMARK 500 28 GLU A  61       46.63    -77.77                                   
REMARK 500 28 GLU A  62      -63.96   -138.12                                   
REMARK 500 28 ASN A  70       59.71   -146.04                                   
REMARK 500 28 ILE A  81       71.02     50.97                                   
REMARK 500 28 ALA A  83       84.02   -169.27                                   
REMARK 500 28 ILE A  85      -55.04   -162.87                                   
REMARK 500 28 LYS A  86      -80.68   -129.23                                   
REMARK 500 28 LYS A  87      -52.95   -172.81                                   
REMARK 500 28 LYS A  88      -34.69   -171.74                                   
REMARK 500 28 ARG A  91      -14.19    -49.78                                   
REMARK 500 29 ASP A   2     -117.08   -104.99                                   
REMARK 500 29 VAL A   3      -49.80   -161.04                                   
REMARK 500 29 LYS A  13       22.28   -142.27                                   
REMARK 500 29 GLU A  21      -42.02   -131.01                                   
REMARK 500 29 LYS A  22       41.09   -151.41                                   
REMARK 500 29 LYS A  27      -67.58     64.07                                   
REMARK 500 29 ASN A  31       83.69    -60.21                                   
REMARK 500 29 LEU A  32      -70.48    -26.32                                   
REMARK 500 29 HIS A  33       63.64     30.57                                   
REMARK 500 29 LEU A  35      -72.46   -124.38                                   
REMARK 500 29 THR A  40     -154.64    -81.22                                   
REMARK 500 29 GLN A  42      108.69    179.10                                   
REMARK 500 29 PHE A  46      -44.57   -145.46                                   
REMARK 500 29 THR A  47     -155.29     42.21                                   
REMARK 500 29 TRP A  59       65.73     17.41                                   
REMARK 500 29 ASN A  70       73.02   -151.02                                   
REMARK 500 29 ALA A  83       78.00   -168.43                                   
REMARK 500 29 ILE A  85      -38.19   -147.68                                   
REMARK 500 29 LYS A  86      -69.45   -132.23                                   
REMARK 500 29 LYS A  87      -54.35   -170.17                                   
REMARK 500 29 LYS A  88      -49.71   -164.00                                   
REMARK 500 29 ASN A 103       64.89   -151.24                                   
REMARK 500 30 LYS A  13       28.50   -142.74                                   
REMARK 500 30 CYS A  14      -46.49   -135.12                                   
REMARK 500 30 HIS A  18       79.29   -118.21                                   
REMARK 500 30 GLU A  21      -43.86   -139.38                                   
REMARK 500 30 HIS A  26      -86.02     56.11                                   
REMARK 500 30 LYS A  27      -69.17     63.71                                   
REMARK 500 30 LEU A  32       42.09    -79.34                                   
REMARK 500 30 LEU A  35      -61.34   -103.27                                   
REMARK 500 30 LYS A  39       99.18    -57.20                                   
REMARK 500 30 GLN A  42      101.64   -168.50                                   
REMARK 500 30 PHE A  46       86.67    163.45                                   
REMARK 500 30 THR A  47       37.69    -94.38                                   
REMARK 500 30 TYR A  48     -173.57     60.56                                   
REMARK 500 30 TRP A  59       66.28     19.93                                   
REMARK 500 30 GLU A  61       41.14    -73.74                                   
REMARK 500 30 GLU A  62      -60.32   -136.72                                   
REMARK 500 30 ASN A  70       75.14   -155.48                                   
REMARK 500 30 ILE A  81       70.73     51.32                                   
REMARK 500 30 ALA A  83      -87.61   -155.38                                   
REMARK 500 30 ILE A  85      -60.82   -125.64                                   
REMARK 500 30 LYS A  86      -81.28   -171.29                                   
REMARK 500 30 LYS A  87       74.41   -171.82                                   
REMARK 500 30 LYS A  88      -65.74     65.09                                   
REMARK 500 31 ASP A   2      -86.83   -118.68                                   
REMARK 500 31 VAL A   3      -50.34   -176.81                                   
REMARK 500 31 GLU A  21      -50.34   -149.56                                   
REMARK 500 31 ASN A  31       96.02    -68.27                                   
REMARK 500 31 HIS A  33       57.96     27.60                                   
REMARK 500 31 LEU A  35      -59.11   -125.36                                   
REMARK 500 31 THR A  40     -157.18    -90.52                                   
REMARK 500 31 GLN A  42      -90.89   -147.27                                   
REMARK 500 31 ALA A  43       78.01     50.45                                   
REMARK 500 31 THR A  47     -167.89     43.17                                   
REMARK 500 31 TRP A  59       73.65     16.06                                   
REMARK 500 31 GLU A  61       22.50    -72.06                                   
REMARK 500 31 PHE A  82       80.81   -154.93                                   
REMARK 500 31 LYS A  86      -61.53   -159.81                                   
REMARK 500 31 LYS A  87      -50.27   -174.02                                   
REMARK 500 31 LYS A  88      -45.60   -171.61                                   
REMARK 500 31 ASN A 103       64.80   -153.77                                   
REMARK 500 32 VAL A  20       72.62    -69.55                                   
REMARK 500 32 GLU A  21      -34.48   -173.02                                   
REMARK 500 32 LYS A  25      170.60     72.83                                   
REMARK 500 32 LYS A  27      -78.26     51.92                                   
REMARK 500 32 HIS A  33       64.18     33.89                                   
REMARK 500 32 LEU A  35      -63.81   -108.57                                   
REMARK 500 32 THR A  40     -158.68    -86.04                                   
REMARK 500 32 GLN A  42       98.36   -169.63                                   
REMARK 500 32 THR A  47       43.11    -78.83                                   
REMARK 500 32 TYR A  48     -164.61     63.44                                   
REMARK 500 32 TRP A  59       54.10     35.54                                   
REMARK 500 32 GLU A  61       44.91    -74.35                                   
REMARK 500 32 GLU A  62      -62.28   -140.34                                   
REMARK 500 32 ASN A  70       72.41   -156.04                                   
REMARK 500 32 ILE A  85      -68.15   -153.25                                   
REMARK 500 32 LYS A  86      -78.57   -158.04                                   
REMARK 500 32 LYS A  87       73.44   -178.15                                   
REMARK 500 32 LYS A  88      -61.19     62.40                                   
REMARK 500 32 ASN A 103       39.29   -140.15                                   
REMARK 500 33 VAL A   3      -34.93     74.99                                   
REMARK 500 33 LYS A  13       12.09   -142.10                                   
REMARK 500 33 THR A  19       44.65    -80.79                                   
REMARK 500 33 GLU A  21      -43.06   -160.37                                   
REMARK 500 33 LYS A  25     -145.79   -144.42                                   
REMARK 500 33 HIS A  26     -154.48    -87.78                                   
REMARK 500 33 LYS A  27       72.36    101.06                                   
REMARK 500 33 HIS A  33      -72.16    -64.63                                   
REMARK 500 33 LEU A  35      -81.09     62.41                                   
REMARK 500 33 LYS A  39       99.25    -37.78                                   
REMARK 500 33 GLN A  42      -88.02   -140.31                                   
REMARK 500 33 THR A  47     -172.15     42.42                                   
REMARK 500 33 ILE A  57     -158.68   -108.20                                   
REMARK 500 33 THR A  58       43.25   -147.23                                   
REMARK 500 33 TRP A  59       69.69     12.59                                   
REMARK 500 33 GLU A  61       45.51    -74.50                                   
REMARK 500 33 GLU A  62      -58.64   -141.81                                   
REMARK 500 33 ASN A  70       79.65   -160.41                                   
REMARK 500 33 ALA A  83      -66.25   -150.48                                   
REMARK 500 33 ILE A  85      -36.33   -130.94                                   
REMARK 500 33 LYS A  86      -82.21   -138.45                                   
REMARK 500 33 LYS A  87      -57.78   -168.20                                   
REMARK 500 33 LYS A  88      -21.21   -156.92                                   
REMARK 500 33 ASN A 103       49.53   -140.85                                   
REMARK 500 34 ASP A   2     -119.40    -90.55                                   
REMARK 500 34 VAL A   3      -51.89   -163.07                                   
REMARK 500 34 GLU A  21      -61.33   -144.80                                   
REMARK 500 34 THR A  28       28.35   -140.37                                   
REMARK 500 34 LEU A  35      -67.33   -100.28                                   
REMARK 500 34 PHE A  36       93.32    -57.48                                   
REMARK 500 34 LYS A  39      103.41    -45.15                                   
REMARK 500 34 GLN A  42       85.43   -153.68                                   
REMARK 500 34 THR A  47     -164.98   -118.64                                   
REMARK 500 34 ILE A  57     -146.66    -82.17                                   
REMARK 500 34 THR A  58       34.90   -147.14                                   
REMARK 500 34 TRP A  59       69.76     24.05                                   
REMARK 500 34 GLU A  61       13.34    -64.78                                   
REMARK 500 34 ILE A  85      -84.44   -125.03                                   
REMARK 500 34 LYS A  86      -85.72   -143.25                                   
REMARK 500 34 LYS A  87       77.27   -169.27                                   
REMARK 500 34 LYS A  88      -59.70     66.10                                   
REMARK 500 34 THR A  89      -72.55    -33.55                                   
REMARK 500 35 LYS A  13       29.79   -147.56                                   
REMARK 500 35 CYS A  14      -45.30   -135.62                                   
REMARK 500 35 HIS A  26      -96.62   -100.66                                   
REMARK 500 35 LYS A  27      -59.60     78.15                                   
REMARK 500 35 LEU A  32       49.06    -80.26                                   
REMARK 500 35 LEU A  35     -101.33     54.53                                   
REMARK 500 35 PHE A  36      105.58    -47.67                                   
REMARK 500 35 THR A  40     -157.55    -83.14                                   
REMARK 500 35 GLN A  42      102.20   -173.78                                   
REMARK 500 35 THR A  47       38.29    -80.99                                   
REMARK 500 35 TYR A  48     -178.03     59.32                                   
REMARK 500 35 TRP A  59       66.14     27.31                                   
REMARK 500 35 GLU A  61       41.44    -74.31                                   
REMARK 500 35 GLU A  62      -55.52   -141.91                                   
REMARK 500 35 PHE A  82       70.02   -156.34                                   
REMARK 500 35 LYS A  86      -48.35   -161.88                                   
REMARK 500 35 LYS A  87      -57.73   -171.07                                   
REMARK 500 35 LYS A  88      -50.51   -163.13                                   
REMARK 500 36 VAL A   3      -58.79     74.36                                   
REMARK 500 36 THR A  19       43.80    -81.19                                   
REMARK 500 36 GLU A  21      -52.84   -164.98                                   
REMARK 500 36 HIS A  26      -75.06    -94.76                                   
REMARK 500 36 LYS A  27      -68.66     70.99                                   
REMARK 500 36 LEU A  35      -62.13    -97.34                                   
REMARK 500 36 THR A  40     -138.07    -90.49                                   
REMARK 500 36 GLN A  42      -73.30   -165.55                                   
REMARK 500 36 ALA A  43      131.42     65.94                                   
REMARK 500 36 ALA A  83       62.22   -165.45                                   
REMARK 500 36 ILE A  85      -69.84   -105.82                                   
REMARK 500 36 LYS A  86      -65.17   -142.29                                   
REMARK 500 36 LYS A  87      -64.72   -161.20                                   
REMARK 500 36 LYS A  88      -49.23   -150.65                                   
REMARK 500 36 ARG A  91        1.12    -68.70                                   
REMARK 500 36 ASN A 103       34.61   -149.76                                   
REMARK 500 37 ASP A   2     -117.98    -93.44                                   
REMARK 500 37 VAL A   3      -52.44   -162.34                                   
REMARK 500 37 GLU A  21      -51.07   -154.37                                   
REMARK 500 37 LYS A  27      -61.84     63.38                                   
REMARK 500 37 THR A  28       20.86   -144.60                                   
REMARK 500 37 LEU A  35      -74.88     60.04                                   
REMARK 500 37 THR A  40     -145.82    -90.81                                   
REMARK 500 37 GLN A  42      118.72   -177.82                                   
REMARK 500 37 THR A  47       39.73    -82.50                                   
REMARK 500 37 TYR A  48     -169.51     66.73                                   
REMARK 500 37 ASP A  50      -47.92    -25.34                                   
REMARK 500 37 GLU A  61       37.49    -76.20                                   
REMARK 500 37 GLU A  62      -56.78   -132.99                                   
REMARK 500 37 ASN A  70       70.19   -150.97                                   
REMARK 500 37 PHE A  82       80.55   -156.35                                   
REMARK 500 37 ILE A  85      -70.49   -157.16                                   
REMARK 500 37 LYS A  86      -78.78   -163.06                                   
REMARK 500 37 LYS A  87       71.63    177.73                                   
REMARK 500 37 THR A  89      -67.37   -139.15                                   
REMARK 500 37 ARG A  91        8.38    -64.50                                   
REMARK 500 37 GLU A  92      -53.39   -122.14                                   
REMARK 500 37 ASN A 103       36.05   -142.25                                   
REMARK 500 38 GLU A   4      -45.70   -143.58                                   
REMARK 500 38 LYS A  13       10.71   -140.94                                   
REMARK 500 38 GLU A  21      -44.55   -168.61                                   
REMARK 500 38 LYS A  22      118.14   -163.29                                   
REMARK 500 38 HIS A  26      -48.32   -153.22                                   
REMARK 500 38 LEU A  35      -60.48   -109.45                                   
REMARK 500 38 PHE A  36       93.21    -68.28                                   
REMARK 500 38 LYS A  39      101.10    -49.44                                   
REMARK 500 38 GLN A  42       99.41   -165.39                                   
REMARK 500 38 PHE A  46      -65.84   -122.89                                   
REMARK 500 38 THR A  47     -173.53     44.55                                   
REMARK 500 38 ILE A  57     -158.19    -91.85                                   
REMARK 500 38 TRP A  59       71.97     16.03                                   
REMARK 500 38 GLU A  61        2.86    -66.67                                   
REMARK 500 38 ASN A  70       74.95   -152.74                                   
REMARK 500 38 THR A  78      170.41    -58.67                                   
REMARK 500 38 ALA A  83      -60.00   -153.53                                   
REMARK 500 38 ILE A  85      -41.10   -138.32                                   
REMARK 500 38 LYS A  86      -74.66   -140.84                                   
REMARK 500 38 LYS A  87      -65.39   -166.11                                   
REMARK 500 38 LYS A  88      -32.93   -158.21                                   
REMARK 500 38 ASN A 103       62.42   -151.50                                   
REMARK 500 39 LYS A  13       31.15   -148.77                                   
REMARK 500 39 CYS A  14      -45.94   -133.26                                   
REMARK 500 39 GLU A  21       42.40   -160.33                                   
REMARK 500 39 HIS A  26     -148.12   -113.09                                   
REMARK 500 39 LYS A  27      112.80     69.24                                   
REMARK 500 39 LEU A  35      -77.01     61.52                                   
REMARK 500 39 GLN A  42      -68.13   -151.17                                   
REMARK 500 39 ALA A  43     -156.34     49.56                                   
REMARK 500 39 PRO A  44     -106.41    -90.27                                   
REMARK 500 39 PHE A  46      -66.50   -168.35                                   
REMARK 500 39 TYR A  48     -172.96     60.46                                   
REMARK 500 39 TRP A  59       60.20     28.55                                   
REMARK 500 39 GLU A  61       33.76    -69.13                                   
REMARK 500 39 GLU A  62      -58.97   -136.96                                   
REMARK 500 39 ILE A  81       71.29     52.49                                   
REMARK 500 39 ALA A  83       82.23   -158.83                                   
REMARK 500 39 LYS A  86      -63.67   -163.47                                   
REMARK 500 39 LYS A  87      -64.45   -165.54                                   
REMARK 500 39 LYS A  88      -43.02   -159.30                                   
REMARK 500 39 ARG A  91        6.75    -61.11                                   
REMARK 500 39 THR A 102      -37.63    -38.61                                   
REMARK 500 40 ASP A   2     -117.10    -99.75                                   
REMARK 500 40 VAL A   3      -50.29   -161.67                                   
REMARK 500 40 GLU A  21      -46.16   -143.00                                   
REMARK 500 40 LYS A  39      109.61    -57.32                                   
REMARK 500 40 GLN A  42      -73.45   -162.32                                   
REMARK 500 40 ALA A  43      127.78     62.24                                   
REMARK 500 40 TRP A  59       67.01     27.72                                   
REMARK 500 40 ILE A  81       71.51     52.06                                   
REMARK 500 40 ALA A  83      -97.71   -152.69                                   
REMARK 500 40 ILE A  85      -61.57   -143.63                                   
REMARK 500 40 LYS A  86      -70.96   -135.39                                   
REMARK 500 40 LYS A  87      -64.56   -168.52                                   
REMARK 500 40 LYS A  88      -40.90   -150.53                                   
REMARK 500 40 ASN A 103       52.78   -145.75                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 HIS A  18         0.07    SIDE_CHAIN                              
REMARK 500  1 PHE A  36         0.08    SIDE_CHAIN                              
REMARK 500  1 TYR A  48         0.12    SIDE_CHAIN                              
REMARK 500  1 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500  2 PHE A  10         0.09    SIDE_CHAIN                              
REMARK 500  2 ARG A  38         0.08    SIDE_CHAIN                              
REMARK 500  2 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500  2 TYR A  97         0.12    SIDE_CHAIN                              
REMARK 500  3 PHE A  10         0.11    SIDE_CHAIN                              
REMARK 500  3 TYR A  48         0.08    SIDE_CHAIN                              
REMARK 500  4 TYR A  48         0.12    SIDE_CHAIN                              
REMARK 500  4 TYR A  67         0.09    SIDE_CHAIN                              
REMARK 500  4 TYR A  74         0.13    SIDE_CHAIN                              
REMARK 500  5 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500  5 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500  5 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500  6 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500  6 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500  6 TYR A  48         0.14    SIDE_CHAIN                              
REMARK 500  6 TYR A  74         0.12    SIDE_CHAIN                              
REMARK 500  7 TYR A  48         0.11    SIDE_CHAIN                              
REMARK 500  7 TYR A  67         0.08    SIDE_CHAIN                              
REMARK 500  7 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500  8 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500  8 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500  9 TYR A  74         0.24    SIDE_CHAIN                              
REMARK 500 10 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500 11 PHE A  10         0.09    SIDE_CHAIN                              
REMARK 500 11 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 11 TYR A  48         0.07    SIDE_CHAIN                              
REMARK 500 11 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 11 ARG A  91         0.09    SIDE_CHAIN                              
REMARK 500 11 TYR A  97         0.07    SIDE_CHAIN                              
REMARK 500 12 PHE A  10         0.10    SIDE_CHAIN                              
REMARK 500 12 HIS A  18         0.07    SIDE_CHAIN                              
REMARK 500 12 TYR A  67         0.10    SIDE_CHAIN                              
REMARK 500 13 TYR A  48         0.11    SIDE_CHAIN                              
REMARK 500 13 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 13 PHE A  82         0.09    SIDE_CHAIN                              
REMARK 500 14 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500 14 TYR A  48         0.09    SIDE_CHAIN                              
REMARK 500 14 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500 15 PHE A  36         0.07    SIDE_CHAIN                              
REMARK 500 15 ARG A  91         0.16    SIDE_CHAIN                              
REMARK 500 16 PHE A  10         0.07    SIDE_CHAIN                              
REMARK 500 16 TYR A  48         0.07    SIDE_CHAIN                              
REMARK 500 16 TYR A  67         0.09    SIDE_CHAIN                              
REMARK 500 16 TYR A  74         0.07    SIDE_CHAIN                              
REMARK 500 17 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 17 TYR A  48         0.12    SIDE_CHAIN                              
REMARK 500 17 TYR A  74         0.12    SIDE_CHAIN                              
REMARK 500 18 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 18 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500 18 ARG A  91         0.12    SIDE_CHAIN                              
REMARK 500 18 TYR A  97         0.07    SIDE_CHAIN                              
REMARK 500 19 TYR A  48         0.09    SIDE_CHAIN                              
REMARK 500 19 TYR A  67         0.11    SIDE_CHAIN                              
REMARK 500 19 TYR A  74         0.15    SIDE_CHAIN                              
REMARK 500 20 PHE A  10         0.10    SIDE_CHAIN                              
REMARK 500 20 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 20 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500 20 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500 21 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 21 TYR A  67         0.11    SIDE_CHAIN                              
REMARK 500 21 TYR A  74         0.09    SIDE_CHAIN                              
REMARK 500 22 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 22 ARG A  38         0.09    SIDE_CHAIN                              
REMARK 500 22 TYR A  48         0.13    SIDE_CHAIN                              
REMARK 500 22 TYR A  74         0.16    SIDE_CHAIN                              
REMARK 500 23 PHE A  10         0.10    SIDE_CHAIN                              
REMARK 500 23 TYR A  74         0.12    SIDE_CHAIN                              
REMARK 500 23 ARG A  91         0.09    SIDE_CHAIN                              
REMARK 500 23 TYR A  97         0.12    SIDE_CHAIN                              
REMARK 500 24 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500 24 TYR A  67         0.08    SIDE_CHAIN                              
REMARK 500 24 TYR A  74         0.13    SIDE_CHAIN                              
REMARK 500 25 PHE A  36         0.08    SIDE_CHAIN                              
REMARK 500 25 TYR A  48         0.07    SIDE_CHAIN                              
REMARK 500 25 TYR A  74         0.09    SIDE_CHAIN                              
REMARK 500 25 ARG A  91         0.10    SIDE_CHAIN                              
REMARK 500 26 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500 27 PHE A  10         0.09    SIDE_CHAIN                              
REMARK 500 28 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500 28 TYR A  67         0.08    SIDE_CHAIN                              
REMARK 500 29 HIS A  18         0.09    SIDE_CHAIN                              
REMARK 500 29 PHE A  36         0.08    SIDE_CHAIN                              
REMARK 500 29 TYR A  48         0.09    SIDE_CHAIN                              
REMARK 500 29 TYR A  74         0.09    SIDE_CHAIN                              
REMARK 500 30 ARG A  91         0.09    SIDE_CHAIN                              
REMARK 500 31 TYR A  48         0.07    SIDE_CHAIN                              
REMARK 500 31 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 31 ARG A  91         0.10    SIDE_CHAIN                              
REMARK 500 32 HIS A  18         0.09    SIDE_CHAIN                              
REMARK 500 32 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500 32 TYR A  74         0.07    SIDE_CHAIN                              
REMARK 500 32 ARG A  91         0.09    SIDE_CHAIN                              
REMARK 500 33 TYR A  48         0.09    SIDE_CHAIN                              
REMARK 500 33 TYR A  74         0.15    SIDE_CHAIN                              
REMARK 500 33 PHE A  82         0.08    SIDE_CHAIN                              
REMARK 500 34 HIS A  26         0.08    SIDE_CHAIN                              
REMARK 500 34 TYR A  67         0.10    SIDE_CHAIN                              
REMARK 500 35 PHE A  10         0.10    SIDE_CHAIN                              
REMARK 500 35 PHE A  36         0.07    SIDE_CHAIN                              
REMARK 500 35 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500 35 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 36 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500 36 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500 37 PHE A  10         0.08    SIDE_CHAIN                              
REMARK 500 37 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 38 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 38 TYR A  74         0.08    SIDE_CHAIN                              
REMARK 500 38 PHE A  82         0.11    SIDE_CHAIN                              
REMARK 500 38 ARG A  91         0.08    SIDE_CHAIN                              
REMARK 500 39 TYR A  48         0.09    SIDE_CHAIN                              
REMARK 500 39 TYR A  74         0.20    SIDE_CHAIN                              
REMARK 500 40 TYR A  48         0.08    SIDE_CHAIN                              
REMARK 500 40 TYR A  67         0.26    SIDE_CHAIN                              
REMARK 500 40 TYR A  74         0.23    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1 HEC A 105  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  18   NE2                                                    
REMARK 620 2 MET A  80   SD  171.1                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 105                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1GIW   RELATED DB: PDB                                   
DBREF  2GIW A    1   104  UNP    P00004   CYC_HORSE        1    104             
SEQRES   1 A  104  GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS          
SEQRES   2 A  104  CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS          
SEQRES   3 A  104  LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS          
SEQRES   4 A  104  THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN          
SEQRES   5 A  104  LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET          
SEQRES   6 A  104  GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR          
SEQRES   7 A  104  LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG          
SEQRES   8 A  104  GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU          
HET    HEC  A 105      75                                                       
HETNAM     HEC HEME C                                                           
FORMUL   2  HEC    C34 H34 FE N4 O4                                             
HELIX    1   1 GLU A    4  LYS A   13  1                                  10    
HELIX    2   2 ASP A   50  LYS A   53  1                                   4    
HELIX    3   3 THR A   63  GLU A   69  1                                   7    
HELIX    4   4 PRO A   71  TYR A   74  1                                   4    
HELIX    5   5 THR A   89  ALA A  101  1                                  13    
LINK        FE   HEC A 105                 NE2 HIS A  18     1555   1555  1.93  
LINK        FE   HEC A 105                 SD  MET A  80     1555   1555  2.35  
LINK         CAB HEC A 105                 SG  CYS A  14     1555   1555  1.81  
LINK         CAC HEC A 105                 SG  CYS A  17     1555   1555  1.82  
SITE     1 AC1 17 PHE A  10  LYS A  13  CYS A  14  CYS A  17                    
SITE     2 AC1 17 HIS A  18  THR A  28  PRO A  30  LEU A  35                    
SITE     3 AC1 17 THR A  40  TYR A  48  ASN A  52  TRP A  59                    
SITE     4 AC1 17 TYR A  67  LEU A  68  LYS A  79  MET A  80                    
SITE     5 AC1 17 PHE A  82                                                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system