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Database: PDB
Entry: 1FI9
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Original site: 1FI9 
HEADER    ELECTRON TRANSPORT                      03-AUG-00   1FI9              
TITLE     SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF CYTOCHROME C           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOCHROME C;                                              
COMPND   3 CHAIN: A                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS;                                 
SOURCE   3 ORGANISM_COMMON: HORSE;                                              
SOURCE   4 ORGANISM_TAXID: 9796;                                                
SOURCE   5 TISSUE: HEART                                                        
KEYWDS    CYTOCHROME C, NMR, SOLUTION STRUCTURE, ELECTRON TRANSPORT             
EXPDTA    SOLUTION NMR                                                          
NUMMDL    35                                                                    
AUTHOR    L.BANCI,I.BERTINI,G.LIU,J.LU,T.REDDIG,W.TANG,Y.WU,D.ZHU               
REVDAT   4   24-FEB-09 1FI9    1       VERSN                                    
REVDAT   3   01-APR-03 1FI9    1       JRNL                                     
REVDAT   2   13-SEP-00 1FI9    1       DBREF                                    
REVDAT   1   23-AUG-00 1FI9    0                                                
JRNL        AUTH   L.BANCI,I.BERTINI,G.LIU,J.LU,T.REDDIG,W.TANG,Y.WU,           
JRNL        AUTH 2 D.ZHU                                                        
JRNL        TITL   EFFECTS OF EXTRINSIC IMIDAZOLE LIGATION ON THE               
JRNL        TITL 2 MOLECULAR AND ELECTRONIC STRUCTURE OF CYTOCHROME C           
JRNL        REF    J.BIOL.INORG.CHEM.            V.   6   628 2001              
JRNL        REFN                   ISSN 0949-8257                               
JRNL        PMID   11472026                                                     
JRNL        DOI    10.1007/S007750100240                                        
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 5.0, PSEUDOREM 5.0                             
REMARK   3   AUTHORS     : PEARLMAN, CASE, CALDWELL, ROSS, CHEATHAM,            
REMARK   3                 FERGUSON, SEIBEL, SINGH, WEINER, KOLLMAN (AMBER)     
REMARK   3                 , BANCI, BERTINI, GORI SAVELLINI, ROMAGNOLI,         
REMARK   3                 TURANO, CREMONINI, LUCHINAT,GARY (PSEUDOREM)         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: OTHER REFINEMENT REMARKS: DYNAMICS        
REMARK   3  SIMULATED ANNEALING,RESTRAINED ENERGY MINIMIZATION;                 
REMARK   3  PSEUDOCONTACT SHIFTS WERE USED IN THE CALCULATION AND IN THE        
REMARK   3  MINIMIZATION AS FURTHER NON-CLASSICAL CONSTRAINTS                   
REMARK   4                                                                      
REMARK   4 1FI9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-AUG-00.                  
REMARK 100 THE RCSB ID CODE IS RCSB011615.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313                                
REMARK 210  PH                             : 5.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 6MM CYTOCHROME C, 1.2M             
REMARK 210                                   IMIDAZOLE; 6MM CYTOCHROME C,       
REMARK 210                                   1.2M IMIDAZOLE                     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, DQF-COSY, TOCSY          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA 5.0, PSEUDODYANA 5.0         
REMARK 210   METHOD USED                   : AMBER                              
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 400                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 35                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500 32 VAL A  20   CA  -  CB  -  CG2 ANGL. DEV. =   9.1 DEGREES          
REMARK 500 34 LEU A  32   CB  -  CG  -  CD2 ANGL. DEV. =  14.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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 CYS A  14      -68.18   -108.79                                   
REMARK 500  1 ALA A  15      -78.29     33.44                                   
REMARK 500  1 CYS A  17      -44.53   -161.38                                   
REMARK 500  1 LYS A  25     -164.59     59.55                                   
REMARK 500  1 LYS A  27      -81.80    -78.53                                   
REMARK 500  1 THR A  28      -60.69   -126.08                                   
REMARK 500  1 LEU A  32       39.82    -78.65                                   
REMARK 500  1 PHE A  36       81.16    -68.03                                   
REMARK 500  1 LYS A  60       45.31   -162.50                                   
REMARK 500  1 GLU A  61      -67.09     65.95                                   
REMARK 500  1 ASN A  70       57.04    179.42                                   
REMARK 500  1 LYS A  73      -57.35   -129.63                                   
REMARK 500  1 THR A  78     -109.40   -101.46                                   
REMARK 500  1 LYS A  79      -26.20   -140.34                                   
REMARK 500  1 MET A  80       71.09     50.70                                   
REMARK 500  2 CYS A  14      -79.97   -111.31                                   
REMARK 500  2 ALA A  15      -74.14     42.41                                   
REMARK 500  2 GLN A  16       47.16    -78.32                                   
REMARK 500  2 CYS A  17      -43.58   -164.89                                   
REMARK 500  2 LYS A  25     -176.43     59.89                                   
REMARK 500  2 LYS A  27      -70.06   -112.63                                   
REMARK 500  2 THR A  28      -57.26   -122.54                                   
REMARK 500  2 GLN A  42      127.44   -173.85                                   
REMARK 500  2 ASN A  52       48.68    -79.63                                   
REMARK 500  2 LYS A  53      -59.37   -162.60                                   
REMARK 500  2 LYS A  60       44.09   -160.82                                   
REMARK 500  2 GLU A  61      -50.79     68.61                                   
REMARK 500  2 GLU A  62      -74.00    -49.17                                   
REMARK 500  2 GLU A  69       41.88    -80.27                                   
REMARK 500  2 ASN A  70       65.40    160.07                                   
REMARK 500  2 LYS A  73      -54.67   -143.70                                   
REMARK 500  2 LYS A  79       78.49   -115.14                                   
REMARK 500  2 PHE A  82      -65.60    -21.51                                   
REMARK 500  2 LYS A  87     -174.23   -173.39                                   
REMARK 500  3 CYS A  14      -70.53   -114.23                                   
REMARK 500  3 ALA A  15      -79.07     39.69                                   
REMARK 500  3 CYS A  17      -42.61   -159.94                                   
REMARK 500  3 LYS A  25     -179.66     58.38                                   
REMARK 500  3 HIS A  26      -72.67    -89.14                                   
REMARK 500  3 LYS A  27     -167.43     54.82                                   
REMARK 500  3 GLN A  42       59.57   -140.64                                   
REMARK 500  3 ALA A  51      -62.17   -163.00                                   
REMARK 500  3 ILE A  57     -168.84   -116.82                                   
REMARK 500  3 LYS A  60      -50.67   -133.32                                   
REMARK 500  3 GLU A  61      -63.51    173.55                                   
REMARK 500  3 ASN A  70       60.50    166.31                                   
REMARK 500  3 LYS A  73      -62.59   -140.64                                   
REMARK 500  3 THR A  78      -63.21   -123.76                                   
REMARK 500  3 LYS A  79      -44.88   -178.07                                   
REMARK 500  3 MET A  80      111.73     61.20                                   
REMARK 500  3 ILE A  85      -81.26    -54.07                                   
REMARK 500  3 LYS A  86      -51.95   -142.80                                   
REMARK 500  3 LYS A  87     -137.45   -168.13                                   
REMARK 500  3 THR A  89      -70.72    -54.40                                   
REMARK 500  4 CYS A  14      -70.23   -111.41                                   
REMARK 500  4 ALA A  15      -78.21     36.20                                   
REMARK 500  4 GLN A  16       42.80    -77.89                                   
REMARK 500  4 CYS A  17      -39.94   -160.72                                   
REMARK 500  4 LYS A  27      -69.20   -130.04                                   
REMARK 500  4 THR A  28      -50.82   -121.96                                   
REMARK 500  4 LEU A  32       55.71    -68.73                                   
REMARK 500  4 ASP A  50       63.48    -67.59                                   
REMARK 500  4 ALA A  51      -48.15   -172.79                                   
REMARK 500  4 LYS A  60      -65.51   -144.46                                   
REMARK 500  4 GLU A  61      -44.45   -171.80                                   
REMARK 500  4 ASN A  70       57.72   -176.96                                   
REMARK 500  4 LYS A  72       53.64    -94.25                                   
REMARK 500  4 LYS A  73      -55.44   -139.83                                   
REMARK 500  4 LYS A  79      -38.15   -178.85                                   
REMARK 500  4 MET A  80       83.73     56.61                                   
REMARK 500  4 ILE A  81     -154.35    -89.30                                   
REMARK 500  4 PHE A  82      163.46    -48.94                                   
REMARK 500  4 LYS A  87     -174.29   -175.28                                   
REMARK 500  4 THR A  89      -70.07    -44.88                                   
REMARK 500  5 ALA A  15      -78.45     29.90                                   
REMARK 500  5 GLN A  16       41.60    -75.57                                   
REMARK 500  5 CYS A  17      -49.80   -143.88                                   
REMARK 500  5 THR A  19      -59.20   -129.41                                   
REMARK 500  5 LYS A  25      145.95   -170.23                                   
REMARK 500  5 LYS A  27     -140.20     37.13                                   
REMARK 500  5 LEU A  32       40.73    -81.26                                   
REMARK 500  5 ASN A  52       40.28    -79.00                                   
REMARK 500  5 LYS A  53      -58.17   -163.43                                   
REMARK 500  5 ILE A  57     -169.74   -126.47                                   
REMARK 500  5 LYS A  60      -56.55   -167.37                                   
REMARK 500  5 GLU A  61      -43.24    171.55                                   
REMARK 500  5 GLU A  69       35.67    -90.85                                   
REMARK 500  5 ASN A  70       62.33    169.76                                   
REMARK 500  5 LYS A  72       48.40    -80.96                                   
REMARK 500  5 LYS A  73      -59.57   -134.03                                   
REMARK 500  5 THR A  78      -44.78     72.69                                   
REMARK 500  5 LYS A  79      -33.00    174.09                                   
REMARK 500  5 MET A  80       84.41     32.97                                   
REMARK 500  5 ILE A  81     -159.14    -74.98                                   
REMARK 500  5 PHE A  82      155.37    -48.60                                   
REMARK 500  6 LYS A  13      -62.06   -108.47                                   
REMARK 500  6 THR A  19      -51.64   -150.03                                   
REMARK 500  6 LYS A  22       30.85    -86.77                                   
REMARK 500  6 ASN A  31       99.08    -64.95                                   
REMARK 500  6 LEU A  32       36.38    -78.65                                   
REMARK 500  6 THR A  40      -84.07    -50.26                                   
REMARK 500  6 GLN A  42       76.42     11.34                                   
REMARK 500  6 ALA A  51      -48.87   -167.58                                   
REMARK 500  6 LYS A  60      -55.13   -162.53                                   
REMARK 500  6 GLU A  61      -46.49    177.72                                   
REMARK 500  6 ASN A  70       59.43   -163.91                                   
REMARK 500  6 PRO A  71       30.27    -79.56                                   
REMARK 500  6 LYS A  72       52.35   -155.24                                   
REMARK 500  6 LYS A  73      -54.23   -146.40                                   
REMARK 500  6 THR A  78     -109.73   -123.70                                   
REMARK 500  6 LYS A  79       63.23   -169.64                                   
REMARK 500  6 ILE A  81      -38.82   -138.28                                   
REMARK 500  6 LYS A  87     -175.07   -175.38                                   
REMARK 500  7 ALA A  15      -78.31    -16.28                                   
REMARK 500  7 CYS A  17      -43.71   -160.51                                   
REMARK 500  7 LYS A  25      179.65     62.24                                   
REMARK 500  7 LYS A  27      -99.74    -92.16                                   
REMARK 500  7 GLN A  42       41.55    -84.76                                   
REMARK 500  7 ALA A  51      -61.49   -154.81                                   
REMARK 500  7 ASN A  52       31.41    -78.63                                   
REMARK 500  7 GLU A  61      -50.91     61.53                                   
REMARK 500  7 GLU A  69       48.47    -85.65                                   
REMARK 500  7 ASN A  70       60.20    160.39                                   
REMARK 500  7 LYS A  72       65.83   -117.56                                   
REMARK 500  7 LYS A  73      -54.57   -160.43                                   
REMARK 500  7 ILE A  75       89.75     78.39                                   
REMARK 500  7 THR A  78     -106.57   -125.63                                   
REMARK 500  7 LYS A  79       87.36   -151.39                                   
REMARK 500  7 ILE A  81     -142.58   -138.15                                   
REMARK 500  7 PHE A  82      170.48    -56.82                                   
REMARK 500  7 ILE A  85      -84.76    -61.33                                   
REMARK 500  7 LYS A  86      -53.64   -140.45                                   
REMARK 500  7 LYS A  87     -148.13   -168.11                                   
REMARK 500  8 ALA A  15      -81.65     26.34                                   
REMARK 500  8 CYS A  17      -49.23   -168.04                                   
REMARK 500  8 LYS A  22       33.15    -77.32                                   
REMARK 500  8 HIS A  26      101.71     75.45                                   
REMARK 500  8 LYS A  27      -73.04   -102.32                                   
REMARK 500  8 HIS A  33      118.33    -39.65                                   
REMARK 500  8 ARG A  38       45.59   -147.66                                   
REMARK 500  8 LYS A  39     -136.38     41.01                                   
REMARK 500  8 THR A  40      -86.17    -96.81                                   
REMARK 500  8 GLN A  42       40.26     37.00                                   
REMARK 500  8 ALA A  51      -49.23   -161.36                                   
REMARK 500  8 ASN A  52       46.54   -104.43                                   
REMARK 500  8 LYS A  53      -61.66   -156.83                                   
REMARK 500  8 TRP A  59      109.59    -58.19                                   
REMARK 500  8 ASN A  70       54.43   -169.38                                   
REMARK 500  8 LYS A  73      -60.42    -97.30                                   
REMARK 500  8 THR A  78      -45.65   -141.53                                   
REMARK 500  8 LYS A  79      -54.64    169.74                                   
REMARK 500  8 MET A  80       82.53     71.57                                   
REMARK 500  8 ILE A  85      -87.86    -47.46                                   
REMARK 500  8 LYS A  86      -53.60   -142.94                                   
REMARK 500  8 LYS A  87     -133.90   -162.63                                   
REMARK 500  9 CYS A  14      -75.84   -104.60                                   
REMARK 500  9 ALA A  15      -79.28     39.55                                   
REMARK 500  9 GLN A  16       49.09    -78.27                                   
REMARK 500  9 CYS A  17      -43.74   -153.39                                   
REMARK 500  9 LYS A  25     -173.99     65.32                                   
REMARK 500  9 HIS A  26      -67.84    -90.51                                   
REMARK 500  9 LYS A  27     -162.37     50.89                                   
REMARK 500  9 ASN A  31       83.29    -66.06                                   
REMARK 500  9 HIS A  33       93.07     50.89                                   
REMARK 500  9 PHE A  46      154.04    -44.35                                   
REMARK 500  9 ASP A  50       72.98    -68.02                                   
REMARK 500  9 ALA A  51      -58.70   -178.10                                   
REMARK 500  9 ASN A  52       44.45    -96.97                                   
REMARK 500  9 LYS A  53      -60.06   -152.91                                   
REMARK 500  9 GLU A  61      -53.11     65.79                                   
REMARK 500  9 ASN A  70       63.56   -175.51                                   
REMARK 500  9 PRO A  71       47.30    -78.21                                   
REMARK 500  9 LYS A  72      -53.27   -147.54                                   
REMARK 500  9 ILE A  75       89.07   -154.84                                   
REMARK 500  9 LYS A  79      -53.81   -174.90                                   
REMARK 500  9 MET A  80      129.38     69.72                                   
REMARK 500  9 PHE A  82      155.40    -38.93                                   
REMARK 500 10 CYS A  14      -78.51   -102.96                                   
REMARK 500 10 ALA A  15      -78.75     46.02                                   
REMARK 500 10 CYS A  17      -44.23   -169.82                                   
REMARK 500 10 LYS A  25     -167.42     57.08                                   
REMARK 500 10 LYS A  27      -88.13   -102.62                                   
REMARK 500 10 THR A  28       73.15   -114.77                                   
REMARK 500 10 HIS A  33       67.60   -104.60                                   
REMARK 500 10 GLN A  42       47.53   -140.29                                   
REMARK 500 10 PRO A  44     -159.02    -75.31                                   
REMARK 500 10 PHE A  46      134.36    -39.87                                   
REMARK 500 10 TRP A  59       88.35     56.74                                   
REMARK 500 10 ASN A  70       62.53    176.90                                   
REMARK 500 10 LYS A  72       59.18    -96.74                                   
REMARK 500 10 LYS A  73      -62.82   -150.57                                   
REMARK 500 10 LYS A  79       39.14   -170.11                                   
REMARK 500 10 ILE A  81      -51.19   -146.31                                   
REMARK 500 10 ALA A  83      -72.28    -58.82                                   
REMARK 500 10 ILE A  85      -83.86    -65.62                                   
REMARK 500 10 LYS A  86      -52.31   -137.38                                   
REMARK 500 10 LYS A  87      -59.07   -160.37                                   
REMARK 500 10 LYS A  88      -44.63    179.63                                   
REMARK 500 11 ALA A  15      -68.51    -27.86                                   
REMARK 500 11 GLN A  16       45.17    -77.92                                   
REMARK 500 11 CYS A  17      -48.89   -159.58                                   
REMARK 500 11 LYS A  25      164.08     69.37                                   
REMARK 500 11 LYS A  27     -137.97     38.06                                   
REMARK 500 11 ASN A  31       99.75    -62.14                                   
REMARK 500 11 LEU A  32       46.97    -76.84                                   
REMARK 500 11 PRO A  44      -94.50    -74.08                                   
REMARK 500 11 THR A  47       37.56    -92.05                                   
REMARK 500 11 TYR A  48      150.26     65.36                                   
REMARK 500 11 THR A  49      -78.65    -78.22                                   
REMARK 500 11 ASP A  50      -79.40    165.50                                   
REMARK 500 11 LYS A  60      -54.71   -154.49                                   
REMARK 500 11 GLU A  61      -52.64    172.72                                   
REMARK 500 11 ASN A  70       48.93   -157.51                                   
REMARK 500 11 LYS A  73      -55.73   -153.50                                   
REMARK 500 11 ILE A  75       90.96     72.73                                   
REMARK 500 11 THR A  78      -59.55   -120.67                                   
REMARK 500 11 LYS A  79      -31.64   -179.99                                   
REMARK 500 11 ILE A  81     -158.71   -100.04                                   
REMARK 500 11 PHE A  82      159.02     66.01                                   
REMARK 500 11 ALA A  83       47.22   -143.98                                   
REMARK 500 11 ILE A  85      -81.20    -78.89                                   
REMARK 500 11 LYS A  86      -53.71   -145.60                                   
REMARK 500 11 LYS A  87     -127.16   -161.31                                   
REMARK 500 12 CYS A  14      -72.21   -106.96                                   
REMARK 500 12 ALA A  15      -79.63     38.99                                   
REMARK 500 12 GLN A  16       49.76    -78.39                                   
REMARK 500 12 CYS A  17      -23.01   -177.48                                   
REMARK 500 12 HIS A  26      -80.40     58.53                                   
REMARK 500 12 LYS A  27       79.26     58.64                                   
REMARK 500 12 THR A  28      -77.94     45.48                                   
REMARK 500 12 LEU A  32       48.85    -79.27                                   
REMARK 500 12 GLN A  42       50.88   -140.23                                   
REMARK 500 12 PHE A  46      140.04    -36.99                                   
REMARK 500 12 LYS A  60      -59.43   -141.96                                   
REMARK 500 12 GLU A  61      -51.34    176.75                                   
REMARK 500 12 GLU A  62      -71.65    -43.22                                   
REMARK 500 12 ASN A  70       63.31   -164.56                                   
REMARK 500 12 LYS A  72      -47.31   -176.78                                   
REMARK 500 12 ILE A  75       83.11   -150.02                                   
REMARK 500 12 THR A  78      -64.23   -140.76                                   
REMARK 500 12 LYS A  79       54.43   -153.72                                   
REMARK 500 12 PHE A  82      150.65    -35.90                                   
REMARK 500 12 ILE A  85      -86.53    -52.95                                   
REMARK 500 12 LYS A  86      -63.43   -159.37                                   
REMARK 500 12 LYS A  87     -133.93   -162.02                                   
REMARK 500 12 THR A  89      -70.34    -53.57                                   
REMARK 500 13 CYS A  14      -75.92   -122.14                                   
REMARK 500 13 ALA A  15      -77.98     45.53                                   
REMARK 500 13 CYS A  17      -38.84   -162.16                                   
REMARK 500 13 LYS A  25     -179.16     63.86                                   
REMARK 500 13 LYS A  27      -73.37    -91.60                                   
REMARK 500 13 ASN A  31       97.48    -63.76                                   
REMARK 500 13 HIS A  33       79.32     13.42                                   
REMARK 500 13 THR A  40      -70.76    -39.86                                   
REMARK 500 13 PRO A  44      -71.11    -75.13                                   
REMARK 500 13 THR A  49       36.77   -149.73                                   
REMARK 500 13 ALA A  51      -46.44   -167.56                                   
REMARK 500 13 GLU A  61      -40.48     77.86                                   
REMARK 500 13 GLU A  62      -72.62    -60.49                                   
REMARK 500 13 GLU A  69       38.69    -90.94                                   
REMARK 500 13 ASN A  70       67.18    164.57                                   
REMARK 500 13 LYS A  73      -57.36   -162.40                                   
REMARK 500 13 TYR A  74       81.23    -69.12                                   
REMARK 500 13 ILE A  75       86.30     67.69                                   
REMARK 500 13 THR A  78      -77.80   -129.27                                   
REMARK 500 13 LYS A  79       83.36   -174.45                                   
REMARK 500 13 ILE A  81     -162.41   -119.15                                   
REMARK 500 13 PHE A  82      167.95    -44.69                                   
REMARK 500 13 ILE A  85      -89.20    -57.13                                   
REMARK 500 13 LYS A  86      -59.29   -150.01                                   
REMARK 500 13 LYS A  87     -112.74   -163.35                                   
REMARK 500 14 CYS A  14      -78.29   -105.22                                   
REMARK 500 14 ALA A  15      -81.00     39.09                                   
REMARK 500 14 CYS A  17      -43.63   -171.02                                   
REMARK 500 14 LYS A  22       35.54    -78.97                                   
REMARK 500 14 LYS A  27      -70.91   -135.09                                   
REMARK 500 14 THR A  28      -58.31   -125.65                                   
REMARK 500 14 LEU A  32       39.14    -75.16                                   
REMARK 500 14 GLN A  42       57.17   -146.37                                   
REMARK 500 14 PHE A  46      122.34    -34.39                                   
REMARK 500 14 ALA A  51      -62.53   -167.09                                   
REMARK 500 14 GLU A  61       45.48     30.44                                   
REMARK 500 14 GLU A  62      -66.85   -136.98                                   
REMARK 500 14 ASN A  70       65.78   -176.45                                   
REMARK 500 14 LYS A  72       41.43    -85.35                                   
REMARK 500 14 LYS A  73      -61.64   -138.63                                   
REMARK 500 14 THR A  78      -99.79    -67.14                                   
REMARK 500 14 LYS A  79       18.83   -160.05                                   
REMARK 500 14 MET A  80      148.74     63.40                                   
REMARK 500 14 PHE A  82      176.74    -50.12                                   
REMARK 500 14 LYS A  87     -170.10   -172.61                                   
REMARK 500 15 CYS A  14      -71.58   -110.71                                   
REMARK 500 15 ALA A  15      -75.33     37.52                                   
REMARK 500 15 CYS A  17      -44.26   -160.52                                   
REMARK 500 15 LYS A  27     -148.64     42.45                                   
REMARK 500 15 ASN A  31      101.52    -57.83                                   
REMARK 500 15 LEU A  32       42.67    -78.47                                   
REMARK 500 15 HIS A  33       47.60    -79.58                                   
REMARK 500 15 ALA A  51      -62.41   -161.05                                   
REMARK 500 15 LYS A  60       51.10   -113.85                                   
REMARK 500 15 GLU A  61      -51.33     72.69                                   
REMARK 500 15 TYR A  67      -54.65   -138.47                                   
REMARK 500 15 ASN A  70       64.75   -176.20                                   
REMARK 500 15 LYS A  72       48.41    -81.47                                   
REMARK 500 15 LYS A  73      -39.44   -145.46                                   
REMARK 500 15 THR A  78      -63.92   -125.82                                   
REMARK 500 15 LYS A  79      -43.06    178.44                                   
REMARK 500 15 MET A  80       85.79     59.64                                   
REMARK 500 15 ILE A  85      -76.66    -45.35                                   
REMARK 500 15 LYS A  86      -59.82   -145.65                                   
REMARK 500 15 LYS A  87     -122.25   -153.21                                   
REMARK 500 15 THR A  89      -70.10   -127.24                                   
REMARK 500 16 CYS A  14      -63.83   -108.61                                   
REMARK 500 16 ALA A  15      -79.43     26.70                                   
REMARK 500 16 CYS A  17      -52.64   -166.90                                   
REMARK 500 16 LYS A  22       -6.44    -59.57                                   
REMARK 500 16 LEU A  32       36.17    -78.85                                   
REMARK 500 16 ARG A  38      -51.55   -149.46                                   
REMARK 500 16 LYS A  39      161.65     88.13                                   
REMARK 500 16 PRO A  44     -161.79    -73.14                                   
REMARK 500 16 THR A  47       88.86     74.19                                   
REMARK 500 16 TRP A  59      151.38     66.68                                   
REMARK 500 16 LYS A  60      -60.21   -163.41                                   
REMARK 500 16 GLU A  61      -75.27    175.72                                   
REMARK 500 16 GLU A  62      -65.43    -20.49                                   
REMARK 500 16 ASN A  70       71.86   -167.41                                   
REMARK 500 16 PRO A  71       49.57    -82.95                                   
REMARK 500 16 LYS A  72      -51.52   -146.05                                   
REMARK 500 16 ILE A  75       98.14   -162.96                                   
REMARK 500 16 THR A  78      -71.57   -125.67                                   
REMARK 500 16 LYS A  79       90.52   -168.99                                   
REMARK 500 16 ILE A  81      -54.70   -132.28                                   
REMARK 500 16 ILE A  85      -70.66    -35.57                                   
REMARK 500 16 LYS A  86      -57.28   -139.54                                   
REMARK 500 16 LYS A  87      -63.60   -158.23                                   
REMARK 500 16 LYS A  88      -50.59   -165.03                                   
REMARK 500 17 CYS A  14      -81.20   -104.93                                   
REMARK 500 17 ALA A  15      -83.45     38.79                                   
REMARK 500 17 GLN A  16       49.65    -77.83                                   
REMARK 500 17 CYS A  17      -39.10   -163.90                                   
REMARK 500 17 LYS A  22      100.81    -58.44                                   
REMARK 500 17 LYS A  27      -70.14    -99.48                                   
REMARK 500 17 THR A  28      -61.12   -139.90                                   
REMARK 500 17 ASN A  31       95.46    -67.80                                   
REMARK 500 17 HIS A  33       93.42     24.18                                   
REMARK 500 17 GLN A  42      -51.07   -122.28                                   
REMARK 500 17 ALA A  43       97.99     56.73                                   
REMARK 500 17 ASP A  50       69.44    -66.50                                   
REMARK 500 17 ALA A  51      -51.99   -166.64                                   
REMARK 500 17 LYS A  60       50.86   -162.17                                   
REMARK 500 17 GLU A  61      -67.82     66.44                                   
REMARK 500 17 ASN A  70       60.52   -165.18                                   
REMARK 500 17 LYS A  72       51.52   -111.16                                   
REMARK 500 17 LYS A  73      -54.47   -139.42                                   
REMARK 500 17 LYS A  79      -41.36   -176.15                                   
REMARK 500 17 MET A  80      138.54     75.44                                   
REMARK 500 17 PHE A  82      170.85    -46.03                                   
REMARK 500 17 LYS A  87     -172.61   -175.44                                   
REMARK 500 18 ALA A  15      -81.39     29.10                                   
REMARK 500 18 CYS A  17      -39.09   -162.76                                   
REMARK 500 18 VAL A  20       55.26   -141.77                                   
REMARK 500 18 LYS A  25     -177.39     61.37                                   
REMARK 500 18 LYS A  27     -164.64     53.87                                   
REMARK 500 18 LYS A  60      -64.87   -146.01                                   
REMARK 500 18 GLU A  61      -53.51   -179.06                                   
REMARK 500 18 GLU A  69       34.42    -96.19                                   
REMARK 500 18 ASN A  70       64.80    161.72                                   
REMARK 500 18 LYS A  73      -45.72   -135.75                                   
REMARK 500 18 THR A  78      -58.80   -155.80                                   
REMARK 500 18 LYS A  79       72.75   -178.36                                   
REMARK 500 18 ILE A  81     -163.01   -125.52                                   
REMARK 500 18 ILE A  85      -77.72    -50.68                                   
REMARK 500 18 LYS A  86      -55.94   -141.06                                   
REMARK 500 18 LYS A  87     -121.33   -161.39                                   
REMARK 500 19 CYS A  14      -74.62   -112.84                                   
REMARK 500 19 ALA A  15      -80.61     41.61                                   
REMARK 500 19 CYS A  17      -37.28   -172.04                                   
REMARK 500 19 LYS A  25     -165.48   -101.12                                   
REMARK 500 19 HIS A  26      -72.22    -68.90                                   
REMARK 500 19 LYS A  27     -164.28     52.40                                   
REMARK 500 19 ASN A  31      103.12    -57.60                                   
REMARK 500 19 HIS A  33       44.09    -96.88                                   
REMARK 500 19 GLN A  42       89.58   -151.65                                   
REMARK 500 19 THR A  47     -158.45     48.38                                   
REMARK 500 19 ASP A  50       70.13    -68.19                                   
REMARK 500 19 ALA A  51      -43.23    174.82                                   
REMARK 500 19 GLU A  61      -69.95     63.89                                   
REMARK 500 19 ASN A  70       59.00   -165.55                                   
REMARK 500 19 LYS A  72       42.13   -146.49                                   
REMARK 500 19 LYS A  73      -44.44   -138.87                                   
REMARK 500 19 MET A  80      123.94     65.12                                   
REMARK 500 19 ILE A  81     -160.89   -119.18                                   
REMARK 500 19 PHE A  82      158.34    -48.09                                   
REMARK 500 19 ILE A  85      -80.28    -67.25                                   
REMARK 500 19 LYS A  86      -51.88   -144.92                                   
REMARK 500 19 LYS A  87     -136.20   -170.58                                   
REMARK 500 20 CYS A  14      -69.17   -124.20                                   
REMARK 500 20 ALA A  15      -78.49     39.86                                   
REMARK 500 20 CYS A  17      -35.44   -168.11                                   
REMARK 500 20 LYS A  27     -150.66     42.84                                   
REMARK 500 20 ASN A  31      103.12    -58.53                                   
REMARK 500 20 LEU A  32       35.86    -78.44                                   
REMARK 500 20 THR A  47     -160.47     53.97                                   
REMARK 500 20 TYR A  48     -158.89   -129.93                                   
REMARK 500 20 THR A  49       40.77   -151.81                                   
REMARK 500 20 ASP A  50       46.95     35.86                                   
REMARK 500 20 ALA A  51      -53.46   -163.22                                   
REMARK 500 20 LYS A  60       51.21   -156.75                                   
REMARK 500 20 GLU A  61      -60.78     67.99                                   
REMARK 500 20 ASN A  70       64.21    173.13                                   
REMARK 500 20 LYS A  72       39.57    -76.13                                   
REMARK 500 20 LYS A  73      -53.99   -136.92                                   
REMARK 500 20 THR A  78      -80.73   -127.59                                   
REMARK 500 20 LYS A  79       71.88   -177.22                                   
REMARK 500 20 ILE A  85      -77.52    -45.42                                   
REMARK 500 20 LYS A  86      -63.92   -137.86                                   
REMARK 500 20 LYS A  87      -64.35   -149.57                                   
REMARK 500 20 LYS A  88      -49.49   -167.74                                   
REMARK 500 21 CYS A  14      -86.25   -107.24                                   
REMARK 500 21 ALA A  15      -77.79     47.42                                   
REMARK 500 21 GLN A  16       41.02    -77.54                                   
REMARK 500 21 CYS A  17      -38.86   -153.43                                   
REMARK 500 21 LYS A  27      -89.87    -94.43                                   
REMARK 500 21 LEU A  32       45.51    -79.18                                   
REMARK 500 21 GLN A  42       44.28   -141.30                                   
REMARK 500 21 PHE A  46      138.41    -33.09                                   
REMARK 500 21 THR A  47       98.29    -57.38                                   
REMARK 500 21 GLU A  61      -57.04     76.74                                   
REMARK 500 21 GLU A  62      -73.40    -42.81                                   
REMARK 500 21 ASN A  70       88.37   -169.71                                   
REMARK 500 21 THR A  78      -94.77   -108.67                                   
REMARK 500 21 LYS A  79       62.39   -164.82                                   
REMARK 500 21 ALA A  83      -72.50    -59.97                                   
REMARK 500 21 LYS A  87     -171.66   -172.61                                   
REMARK 500 22 CYS A  14      -75.00   -110.28                                   
REMARK 500 22 ALA A  15      -77.74     32.83                                   
REMARK 500 22 CYS A  17      -48.66   -163.78                                   
REMARK 500 22 HIS A  26      -70.45    -67.99                                   
REMARK 500 22 LYS A  27     -160.40     50.39                                   
REMARK 500 22 ASN A  31       79.17     26.96                                   
REMARK 500 22 HIS A  33      114.56    -38.41                                   
REMARK 500 22 ALA A  43      144.74   -171.81                                   
REMARK 500 22 TYR A  48      173.56     65.02                                   
REMARK 500 22 ASP A  50      -66.60     66.03                                   
REMARK 500 22 GLU A  61      -66.75    161.90                                   
REMARK 500 22 ASN A  70       60.46   -160.66                                   
REMARK 500 22 LYS A  72       58.28    -99.37                                   
REMARK 500 22 LYS A  73      -51.97   -144.45                                   
REMARK 500 22 THR A  78      -63.52    -92.28                                   
REMARK 500 22 LYS A  79      -51.20   -179.31                                   
REMARK 500 22 MET A  80      125.04     68.11                                   
REMARK 500 22 ILE A  81      -40.57   -144.07                                   
REMARK 500 22 LYS A  87     -177.86   -176.28                                   
REMARK 500 23 ALA A  15      -76.63      2.77                                   
REMARK 500 23 CYS A  17      -44.33   -162.81                                   
REMARK 500 23 LYS A  25      175.78     63.23                                   
REMARK 500 23 LYS A  27     -162.27     53.81                                   
REMARK 500 23 ASN A  31       98.65    -64.67                                   
REMARK 500 23 LEU A  32       46.84    -77.40                                   
REMARK 500 23 THR A  40      -77.45    -35.44                                   
REMARK 500 23 ALA A  51      -55.62   -168.44                                   
REMARK 500 23 LYS A  60       34.84    -88.01                                   
REMARK 500 23 GLU A  61      -43.25     64.78                                   
REMARK 500 23 ASN A  70       60.67   -173.27                                   
REMARK 500 23 LYS A  72       59.38   -102.25                                   
REMARK 500 23 LYS A  73      -53.26   -154.45                                   
REMARK 500 23 ILE A  75       97.33     73.75                                   
REMARK 500 23 THR A  78      -79.86    -99.51                                   
REMARK 500 23 LYS A  79      -53.73   -174.40                                   
REMARK 500 23 MET A  80      147.96     62.09                                   
REMARK 500 23 ILE A  81      -46.71   -143.19                                   
REMARK 500 23 ILE A  85      -80.26    -57.67                                   
REMARK 500 23 LYS A  86      -60.08   -150.34                                   
REMARK 500 23 LYS A  87     -141.70   -164.78                                   
REMARK 500 24 CYS A  14      -77.41   -113.84                                   
REMARK 500 24 ALA A  15      -74.88     38.34                                   
REMARK 500 24 GLN A  16       44.90    -77.50                                   
REMARK 500 24 CYS A  17      -49.84   -151.67                                   
REMARK 500 24 HIS A  33      105.02    -46.41                                   
REMARK 500 24 PHE A  46      -57.76   -130.53                                   
REMARK 500 24 THR A  47      123.54     78.77                                   
REMARK 500 24 ALA A  51      -45.60   -169.48                                   
REMARK 500 24 LYS A  60      -59.17   -142.94                                   
REMARK 500 24 GLU A  61      -49.23    174.59                                   
REMARK 500 24 ASN A  70       57.92    179.91                                   
REMARK 500 24 LYS A  73      -52.53   -142.29                                   
REMARK 500 24 ILE A  75       78.44   -118.75                                   
REMARK 500 24 THR A  78      -72.00   -133.48                                   
REMARK 500 24 LYS A  79       80.41   -164.99                                   
REMARK 500 24 ILE A  81     -153.59     44.58                                   
REMARK 500 24 LYS A  87     -176.80   -179.61                                   
REMARK 500 25 ALA A  15      -77.52      1.61                                   
REMARK 500 25 CYS A  17      -48.79   -168.02                                   
REMARK 500 25 ASN A  31       98.87    -63.47                                   
REMARK 500 25 LEU A  32       39.35    -78.35                                   
REMARK 500 25 ARG A  38       37.46   -147.32                                   
REMARK 500 25 LYS A  39     -154.13     53.14                                   
REMARK 500 25 THR A  40      -80.21   -106.20                                   
REMARK 500 25 THR A  47     -162.45    -73.59                                   
REMARK 500 25 ASP A  50       73.16    -69.71                                   
REMARK 500 25 ALA A  51      -54.95   -173.90                                   
REMARK 500 25 GLU A  61      -65.16    167.93                                   
REMARK 500 25 GLU A  69       42.83    -94.80                                   
REMARK 500 25 ASN A  70       61.42    155.60                                   
REMARK 500 25 LYS A  73      -58.01   -144.74                                   
REMARK 500 25 THR A  78      -66.86     65.88                                   
REMARK 500 25 LYS A  79      -51.01   -167.16                                   
REMARK 500 25 MET A  80      110.01     61.54                                   
REMARK 500 25 PHE A  82      174.22     66.09                                   
REMARK 500 25 LYS A  87     -174.59   -170.50                                   
REMARK 500 26 ALA A  15      -76.80      8.19                                   
REMARK 500 26 CYS A  17      -52.69   -163.39                                   
REMARK 500 26 VAL A  20       57.30   -143.29                                   
REMARK 500 26 LYS A  27     -145.84     39.31                                   
REMARK 500 26 ASN A  31       88.60     13.79                                   
REMARK 500 26 LEU A  32       48.88    -76.48                                   
REMARK 500 26 PHE A  46      -51.62   -123.27                                   
REMARK 500 26 THR A  47      109.26     82.72                                   
REMARK 500 26 LYS A  60       40.43   -146.00                                   
REMARK 500 26 GLU A  61      -48.93     66.36                                   
REMARK 500 26 ASN A  70       66.04   -172.62                                   
REMARK 500 26 THR A  78      -67.03   -104.84                                   
REMARK 500 26 LYS A  79      -52.46   -178.45                                   
REMARK 500 26 MET A  80      144.31     71.24                                   
REMARK 500 26 ILE A  81     -153.34   -144.41                                   
REMARK 500 26 PHE A  82      165.17    -49.10                                   
REMARK 500 26 ILE A  85      -78.50    -53.98                                   
REMARK 500 26 LYS A  86      -49.04   -142.47                                   
REMARK 500 26 LYS A  87     -134.72   -166.31                                   
REMARK 500 26 THR A  89      -68.36    -90.18                                   
REMARK 500 27 ALA A  15      -79.31     33.04                                   
REMARK 500 27 CYS A  17      -47.45   -161.13                                   
REMARK 500 27 LYS A  22       37.05    -77.11                                   
REMARK 500 27 HIS A  26      -71.30    -58.56                                   
REMARK 500 27 LYS A  27     -150.75     52.58                                   
REMARK 500 27 ASN A  31       82.18     36.35                                   
REMARK 500 27 LEU A  35      -74.99    -65.18                                   
REMARK 500 27 ASP A  50       30.66    -71.52                                   
REMARK 500 27 ALA A  51      -57.78   -122.97                                   
REMARK 500 27 LYS A  60       41.91   -150.67                                   
REMARK 500 27 GLU A  61      -39.29     66.92                                   
REMARK 500 27 ASN A  70       62.50   -179.34                                   
REMARK 500 27 LYS A  72       49.31    -76.13                                   
REMARK 500 27 LYS A  73      -59.32   -140.01                                   
REMARK 500 27 THR A  78     -148.13    -92.94                                   
REMARK 500 27 ILE A  81      -44.56   -139.36                                   
REMARK 500 27 ILE A  85      -83.40    -51.63                                   
REMARK 500 27 LYS A  86      -57.23   -141.12                                   
REMARK 500 27 LYS A  87     -135.82   -163.64                                   
REMARK 500 28 CYS A  14      -73.15   -114.04                                   
REMARK 500 28 ALA A  15      -68.69     37.22                                   
REMARK 500 28 GLN A  16       44.82    -76.04                                   
REMARK 500 28 CYS A  17      -51.05   -163.81                                   
REMARK 500 28 VAL A  20       -6.27     70.77                                   
REMARK 500 28 LYS A  22       24.87     41.73                                   
REMARK 500 28 LYS A  25     -135.77     71.88                                   
REMARK 500 28 HIS A  26      -64.51   -106.16                                   
REMARK 500 28 LYS A  27     -143.00     42.50                                   
REMARK 500 28 ASN A  31       77.88     30.59                                   
REMARK 500 28 LEU A  32       47.22    -71.39                                   
REMARK 500 28 PHE A  46      138.92    -36.27                                   
REMARK 500 28 LYS A  60       50.76   -152.46                                   
REMARK 500 28 GLU A  61      -49.20     68.98                                   
REMARK 500 28 ASN A  70       65.24   -171.21                                   
REMARK 500 28 LYS A  73      -51.75   -143.69                                   
REMARK 500 28 THR A  78      -81.41   -148.65                                   
REMARK 500 28 LYS A  79      -68.05   -126.64                                   
REMARK 500 28 MET A  80      136.24     68.07                                   
REMARK 500 28 ILE A  81      -63.09   -148.59                                   
REMARK 500 28 ALA A  83      -71.23    -47.04                                   
REMARK 500 28 ILE A  85      -83.56    -58.64                                   
REMARK 500 28 LYS A  86      -55.19   -147.46                                   
REMARK 500 28 LYS A  87     -118.65   -158.30                                   
REMARK 500 29 CYS A  14      -77.79   -111.64                                   
REMARK 500 29 ALA A  15      -78.32     44.40                                   
REMARK 500 29 CYS A  17      -37.60   -159.56                                   
REMARK 500 29 HIS A  26       67.60    -69.10                                   
REMARK 500 29 THR A  28      -63.01   -156.50                                   
REMARK 500 29 PRO A  44     -172.32    -68.85                                   
REMARK 500 29 PHE A  46     -135.95     44.71                                   
REMARK 500 29 THR A  47       19.69   -153.84                                   
REMARK 500 29 ASN A  52       46.32    -77.12                                   
REMARK 500 29 LYS A  53      -49.22   -165.85                                   
REMARK 500 29 LYS A  60      -62.16   -153.50                                   
REMARK 500 29 GLU A  61      -48.61   -168.90                                   
REMARK 500 29 ASN A  70       60.75    166.06                                   
REMARK 500 29 LYS A  79      -36.93    178.44                                   
REMARK 500 29 MET A  80       84.65     59.68                                   
REMARK 500 29 ALA A  83     -171.00    174.68                                   
REMARK 500 29 LYS A  87     -174.67   -171.40                                   
REMARK 500 30 ALA A  15      -73.51     18.92                                   
REMARK 500 30 CYS A  17      -50.92   -167.27                                   
REMARK 500 30 LYS A  27      -85.91     51.44                                   
REMARK 500 30 LEU A  32       44.81    -80.96                                   
REMARK 500 30 THR A  40      -75.67    -44.00                                   
REMARK 500 30 GLN A  42       56.04   -140.90                                   
REMARK 500 30 ALA A  51      -46.64   -160.43                                   
REMARK 500 30 TRP A  59       74.77   -102.99                                   
REMARK 500 30 GLU A  61      -50.60    153.00                                   
REMARK 500 30 ASN A  70       57.13   -178.38                                   
REMARK 500 30 THR A  78      -82.79   -148.47                                   
REMARK 500 30 LYS A  79       85.34   -176.13                                   
REMARK 500 30 ILE A  81      -61.55   -121.20                                   
REMARK 500 30 ILE A  85      -82.46    -54.13                                   
REMARK 500 30 LYS A  86      -55.29   -145.09                                   
REMARK 500 30 LYS A  87     -134.46   -165.38                                   
REMARK 500 30 THR A  89      -70.13    -54.78                                   
REMARK 500 31 CYS A  14       17.44   -158.06                                   
REMARK 500 31 THR A  19      -64.93   -156.82                                   
REMARK 500 31 LYS A  22      158.92     61.67                                   
REMARK 500 31 LYS A  25      170.08     79.85                                   
REMARK 500 31 LYS A  27     -174.82     57.18                                   
REMARK 500 31 ASN A  31       97.53    -61.24                                   
REMARK 500 31 LEU A  32       39.16    -77.07                                   
REMARK 500 31 ALA A  51      -50.53   -155.68                                   
REMARK 500 31 LYS A  60       52.93   -161.81                                   
REMARK 500 31 GLU A  61      -52.91     64.14                                   
REMARK 500 31 ASN A  70       58.74   -165.92                                   
REMARK 500 31 PRO A  71       20.03    -78.86                                   
REMARK 500 31 LYS A  72       51.43   -150.53                                   
REMARK 500 31 LYS A  73      -49.57   -145.63                                   
REMARK 500 31 THR A  78      -61.10   -121.63                                   
REMARK 500 31 LYS A  79      -47.30    177.06                                   
REMARK 500 31 MET A  80       95.72     62.85                                   
REMARK 500 31 ILE A  81     -154.45   -107.45                                   
REMARK 500 31 PHE A  82      153.22    -49.61                                   
REMARK 500 31 ILE A  85      -71.74    -64.26                                   
REMARK 500 31 LYS A  86      -53.99   -151.12                                   
REMARK 500 31 LYS A  87     -145.86   -173.16                                   
REMARK 500 32 CYS A  14      -77.11   -110.57                                   
REMARK 500 32 ALA A  15      -77.81     47.41                                   
REMARK 500 32 GLN A  16       49.81    -78.02                                   
REMARK 500 32 CYS A  17      -37.42   -164.76                                   
REMARK 500 32 LYS A  22       42.91    -79.71                                   
REMARK 500 32 HIS A  26       74.41   -109.08                                   
REMARK 500 32 LYS A  27      -78.02    -92.76                                   
REMARK 500 32 LEU A  32       44.93    -79.12                                   
REMARK 500 32 ARG A  38       31.39   -151.15                                   
REMARK 500 32 LYS A  39     -170.37     55.26                                   
REMARK 500 32 PHE A  46      129.37    -35.06                                   
REMARK 500 32 ASP A  50       47.31    -77.57                                   
REMARK 500 32 ALA A  51      -52.97   -151.02                                   
REMARK 500 32 LYS A  60       38.92   -164.98                                   
REMARK 500 32 GLU A  61      -71.18     65.26                                   
REMARK 500 32 ASN A  70       62.32   -178.06                                   
REMARK 500 32 LYS A  72       45.88   -102.75                                   
REMARK 500 32 LYS A  73      -54.44   -140.08                                   
REMARK 500 32 THR A  78      -49.94   -134.60                                   
REMARK 500 32 LYS A  79      -32.70    179.19                                   
REMARK 500 32 MET A  80       69.79     62.51                                   
REMARK 500 32 ILE A  81     -169.35   -119.93                                   
REMARK 500 32 PHE A  82      158.87     63.78                                   
REMARK 500 32 LYS A  87     -174.39   -178.05                                   
REMARK 500 33 CYS A  14      -78.81   -121.39                                   
REMARK 500 33 ALA A  15      -79.72     41.33                                   
REMARK 500 33 CYS A  17      -36.42   -166.27                                   
REMARK 500 33 LYS A  22     -105.49    -73.25                                   
REMARK 500 33 LYS A  25      179.76     64.43                                   
REMARK 500 33 LYS A  27     -148.94   -107.62                                   
REMARK 500 33 HIS A  33      101.00     -3.21                                   
REMARK 500 33 THR A  40      -70.90    -59.54                                   
REMARK 500 33 GLN A  42       48.67   -140.34                                   
REMARK 500 33 ASP A  50       49.37    -72.95                                   
REMARK 500 33 ALA A  51      -40.03   -162.87                                   
REMARK 500 33 TYR A  67      -56.08   -122.61                                   
REMARK 500 33 ASN A  70       61.13   -176.68                                   
REMARK 500 33 LYS A  72       38.39    -90.15                                   
REMARK 500 33 LYS A  73      -55.47   -127.26                                   
REMARK 500 33 ILE A  75      117.86     71.31                                   
REMARK 500 33 MET A  80      153.19     65.83                                   
REMARK 500 33 ILE A  81      -36.56   -135.04                                   
REMARK 500 33 LYS A  87     -175.97   -175.80                                   
REMARK 500 34 CYS A  14      -67.98   -123.81                                   
REMARK 500 34 ALA A  15      -84.37     37.64                                   
REMARK 500 34 GLN A  16       39.76    -75.71                                   
REMARK 500 34 CYS A  17      -37.66   -156.25                                   
REMARK 500 34 THR A  19      -45.50   -141.90                                   
REMARK 500 34 LYS A  25     -155.12     61.44                                   
REMARK 500 34 HIS A  26      -74.78   -115.17                                   
REMARK 500 34 LYS A  27     -167.66     55.18                                   
REMARK 500 34 THR A  28      -75.72    -55.01                                   
REMARK 500 34 ASN A  31       94.92    -69.96                                   
REMARK 500 34 HIS A  33       71.98     18.05                                   
REMARK 500 34 ALA A  51      -55.75   -162.59                                   
REMARK 500 34 LYS A  60      -57.39   -135.70                                   
REMARK 500 34 GLU A  61      -45.00   -179.72                                   
REMARK 500 34 GLU A  69       46.66    -79.93                                   
REMARK 500 34 ASN A  70       63.86    158.77                                   
REMARK 500 34 LYS A  72       55.93    -90.78                                   
REMARK 500 34 LYS A  73      -55.48   -143.63                                   
REMARK 500 34 THR A  78      -74.42    -94.34                                   
REMARK 500 34 LYS A  79      -44.11    179.65                                   
REMARK 500 34 MET A  80      127.13     65.29                                   
REMARK 500 34 ILE A  85      -79.69    -72.71                                   
REMARK 500 34 LYS A  86      -55.35   -139.58                                   
REMARK 500 34 LYS A  87      -67.89   -160.16                                   
REMARK 500 34 LYS A  88      -42.34   -166.31                                   
REMARK 500 35 CYS A  14      -77.41   -108.96                                   
REMARK 500 35 ALA A  15      -72.45     43.95                                   
REMARK 500 35 GLN A  16       49.73    -77.55                                   
REMARK 500 35 CYS A  17      -40.71   -167.99                                   
REMARK 500 35 LYS A  22       86.62    -64.38                                   
REMARK 500 35 LYS A  25      167.82    166.70                                   
REMARK 500 35 HIS A  26      -72.04    -61.38                                   
REMARK 500 35 LYS A  27     -157.64     51.07                                   
REMARK 500 35 ASN A  31       99.95    -66.15                                   
REMARK 500 35 LEU A  32       36.78    -73.22                                   
REMARK 500 35 HIS A  33       42.18    -87.69                                   
REMARK 500 35 PRO A  44     -162.96    -72.62                                   
REMARK 500 35 THR A  47      110.96     74.18                                   
REMARK 500 35 ASN A  52       33.62    -97.66                                   
REMARK 500 35 LYS A  53      -58.30   -151.73                                   
REMARK 500 35 LYS A  60       46.15   -141.90                                   
REMARK 500 35 GLU A  61      -47.61     75.30                                   
REMARK 500 35 TYR A  67      -55.09   -122.82                                   
REMARK 500 35 ASN A  70       67.05    178.80                                   
REMARK 500 35 LYS A  72       43.99    -78.60                                   
REMARK 500 35 LYS A  73      -51.62   -143.18                                   
REMARK 500 35 ILE A  75      107.64     65.41                                   
REMARK 500 35 LYS A  79      -47.53    171.14                                   
REMARK 500 35 MET A  80       63.88     67.49                                   
REMARK 500 35 ALA A  83      -52.69   -152.16                                   
REMARK 500 35 ILE A  85      -70.94    -59.45                                   
REMARK 500 35 LYS A  86      -58.68   -139.83                                   
REMARK 500 35 LYS A  87      -62.79   -156.89                                   
REMARK 500 35 LYS A  88      -46.01   -172.87                                   
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 ARG A  38         0.08    SIDE_CHAIN                              
REMARK 500  2 PHE A  82         0.12    SIDE_CHAIN                              
REMARK 500  2 TYR A  97         0.08    SIDE_CHAIN                              
REMARK 500  4 TYR A  67         0.17    SIDE_CHAIN                              
REMARK 500  4 TYR A  97         0.07    SIDE_CHAIN                              
REMARK 500  5 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500  6 TYR A  67         0.11    SIDE_CHAIN                              
REMARK 500  6 ARG A  91         0.12    SIDE_CHAIN                              
REMARK 500  7 TYR A  67         0.14    SIDE_CHAIN                              
REMARK 500  7 ARG A  91         0.10    SIDE_CHAIN                              
REMARK 500  8 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500  8 TYR A  67         0.08    SIDE_CHAIN                              
REMARK 500  8 TYR A  74         0.09    SIDE_CHAIN                              
REMARK 500  9 HIS A  18         0.09    SIDE_CHAIN                              
REMARK 500 10 TYR A  67         0.11    SIDE_CHAIN                              
REMARK 500 10 ARG A  91         0.08    SIDE_CHAIN                              
REMARK 500 10 TYR A  97         0.09    SIDE_CHAIN                              
REMARK 500 12 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500 13 TYR A  48         0.07    SIDE_CHAIN                              
REMARK 500 14 TYR A  67         0.07    SIDE_CHAIN                              
REMARK 500 14 TYR A  97         0.11    SIDE_CHAIN                              
REMARK 500 15 TYR A  67         0.08    SIDE_CHAIN                              
REMARK 500 17 HIS A  18         0.09    SIDE_CHAIN                              
REMARK 500 17 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 18 TYR A  74         0.15    SIDE_CHAIN                              
REMARK 500 20 TYR A  67         0.09    SIDE_CHAIN                              
REMARK 500 22 PHE A  46         0.08    SIDE_CHAIN                              
REMARK 500 23 TYR A  67         0.19    SIDE_CHAIN                              
REMARK 500 24 HIS A  18         0.08    SIDE_CHAIN                              
REMARK 500 24 TYR A  67         0.09    SIDE_CHAIN                              
REMARK 500 25 PHE A  36         0.09    SIDE_CHAIN                              
REMARK 500 25 TYR A  74         0.08    SIDE_CHAIN                              
REMARK 500 26 TYR A  48         0.10    SIDE_CHAIN                              
REMARK 500 26 TYR A  67         0.12    SIDE_CHAIN                              
REMARK 500 27 TYR A  97         0.07    SIDE_CHAIN                              
REMARK 500 28 TYR A  67         0.10    SIDE_CHAIN                              
REMARK 500 29 TYR A  67         0.10    SIDE_CHAIN                              
REMARK 500 29 TYR A  74         0.12    SIDE_CHAIN                              
REMARK 500 29 PHE A  82         0.09    SIDE_CHAIN                              
REMARK 500 31 TYR A  67         0.13    SIDE_CHAIN                              
REMARK 500 32 TYR A  67         0.09    SIDE_CHAIN                              
REMARK 500 33 HIS A  18         0.09    SIDE_CHAIN                              
REMARK 500 33 TYR A  97         0.06    SIDE_CHAIN                              
REMARK 500 34 TYR A  67         0.10    SIDE_CHAIN                              
REMARK 500 34 TYR A  97         0.07    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 110  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  18   NE2                                                    
REMARK 620 2 IMD A 105   N3  176.2                                              
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 IMD A 105                 
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 110                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1FI7   RELATED DB: PDB                                   
REMARK 900 1FI7 IS THE MINIMIZED AVERAGE STRUCTURE.                             
DBREF  1FI9 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    IMD  A 105       9                                                       
HET    HEC  A 110      75                                                       
HETNAM     IMD IMIDAZOLE                                                        
HETNAM     HEC HEME C                                                           
FORMUL   2  IMD    C3 H5 N2 1+                                                  
FORMUL   3  HEC    C34 H34 FE N4 O4                                             
HELIX    1   1 ASP A    2  CYS A   14  1                                  13    
HELIX    2   2 THR A   49  GLY A   56  1                                   8    
HELIX    3   3 THR A   63  LEU A   68  1                                   6    
HELIX    4   4 LYS A   87  ASN A  103  1                                  17    
LINK        FE   HEC A 110                 NE2 HIS A  18     1555   1555  1.94  
LINK        FE   HEC A 110                 N3  IMD A 105     1555   1555  1.97  
LINK         SG  CYS A  14                 CAB HEC A 110     1555   1555  1.83  
LINK         SG  CYS A  17                 CAC HEC A 110     1555   1555  1.81  
SITE     1 AC1  3 TYR A  67  LYS A  79  HEC A 110                               
SITE     1 AC2 17 LYS A  13  CYS A  14  CYS A  17  HIS A  18                    
SITE     2 AC2 17 THR A  28  GLY A  29  PRO A  30  LEU A  32                    
SITE     3 AC2 17 LEU A  35  THR A  49  ASN A  52  TRP A  59                    
SITE     4 AC2 17 TYR A  67  LEU A  68  LYS A  79  LEU A  94                    
SITE     5 AC2 17 IMD A 105                                                     
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                                                                             
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