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Database: PDB
Entry: 1A6X
LinkDB: 1A6X
Original site: 1A6X 
HEADER    CARRIER PROTEIN                         04-MAR-98   1A6X              
TITLE     STRUCTURE OF THE APO-BIOTIN CARBOXYL CARRIER PROTEIN (APO-            
TITLE    2 BCCP87) OF ESCHERICHIA COLI ACETYL-COA CARBOXYLASE, NMR,             
TITLE    3 49 STRUCTURES                                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: APO-BIOTIN CARBOXYL CARRIER PROTEIN OF ACETYL-             
COMPND   3 COA CARBOXYLASE;                                                     
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: CARBOXYL-TERMINAL FRAGMENT, RESIDUES 70 - 156;             
COMPND   6 SYNONYM: APO-BCCP87;                                                 
COMPND   7 EC: 6.4.1.2;                                                         
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI BL21(DE3);                     
SOURCE   3 ORGANISM_TAXID: 469008;                                              
SOURCE   4 STRAIN: BL21 (DE3);                                                  
SOURCE   5 CELL_LINE: BL21;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PTM53                                     
KEYWDS    ACETYL-COA CARBOXYLASE, BIOTIN CARBOXYL CARRIER PROTEIN,              
KEYWDS   2 NUCLEAR MAGNETIC RESONANCE, BACKBONE DYNAMICS                        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    49                                                                    
AUTHOR    X.YAO,D.WEI,C.SODEN JUNIOR,M.F.SUMMERS,D.BECKETT                      
REVDAT   3   24-FEB-09 1A6X    1       VERSN                                    
REVDAT   2   01-APR-03 1A6X    1       JRNL                                     
REVDAT   1   14-OCT-98 1A6X    0                                                
JRNL        AUTH   X.YAO,D.WEI,C.SODEN JR.,M.F.SUMMERS,D.BECKETT                
JRNL        TITL   STRUCTURE OF THE CARBOXY-TERMINAL FRAGMENT OF THE            
JRNL        TITL 2 APO-BIOTIN CARBOXYL CARRIER SUBUNIT OF ESCHERICHIA           
JRNL        TITL 3 COLI ACETYL-COA CARBOXYLASE.                                 
JRNL        REF    BIOCHEMISTRY                  V.  36 15089 1997              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   9398236                                                      
JRNL        DOI    10.1021/BI971485F                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DIANA                                                
REMARK   3   AUTHORS     : GUNTERT,WUTHRICH                                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN        
REMARK   3  THE JRNL CITATION ABOVE.                                            
REMARK   4                                                                      
REMARK   4 1A6X 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) : 298                                
REMARK 210  PH                             : 7.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : PHOSPHATE BUFFER                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY, TOCSY, COSY, HSQC,          
REMARK 210                                   NOESY-HSQC, TOCSY-HSQC AND T1,     
REMARK 210                                   T2, NOE MEASUREMENTS               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : GE OMEGA PSG                       
REMARK 210  SPECTROMETER MANUFACTURER      : GE                                 
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DIANA                              
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY                  
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 49                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 49                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LEAST RESTRAINT VIOLATION          
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: 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 ALA A  74      -62.06     71.46                                   
REMARK 500  1 ALA A  76      -62.02     74.52                                   
REMARK 500  1 GLU A  77      134.02     62.75                                   
REMARK 500  1 ILE A  78      -48.03   -136.30                                   
REMARK 500  1 SER A  79      116.87     62.76                                   
REMARK 500  1 SER A  85      106.13    -39.98                                   
REMARK 500  1 VAL A 111      108.59    -40.18                                   
REMARK 500  1 CYS A 116     -172.70    175.91                                   
REMARK 500  1 LYS A 131      103.43    177.75                                   
REMARK 500  1 SER A 132      143.19    -39.13                                   
REMARK 500  1 VAL A 135      160.57    -41.13                                   
REMARK 500  1 LYS A 136      -49.10   -141.90                                   
REMARK 500  1 ALA A 137      138.81    173.37                                   
REMARK 500  1 ASP A 149       15.95     58.17                                   
REMARK 500  1 LEU A 152      -77.49   -112.83                                   
REMARK 500  2 GLU A  71      152.35     64.69                                   
REMARK 500  2 ALA A  75      -61.12    -92.88                                   
REMARK 500  2 ILE A  78      -70.27   -108.13                                   
REMARK 500  2 SER A  79       42.95    179.88                                   
REMARK 500  2 SER A  85      103.53    -44.52                                   
REMARK 500  2 ASP A  98       52.91   -100.82                                   
REMARK 500  2 VAL A 111      109.44    -40.30                                   
REMARK 500  2 CYS A 116     -172.12    178.39                                   
REMARK 500  2 LYS A 131      111.73    178.19                                   
REMARK 500  2 SER A 132      160.73    -40.60                                   
REMARK 500  2 VAL A 135      177.94     50.84                                   
REMARK 500  2 LYS A 136      -47.66   -166.28                                   
REMARK 500  2 ALA A 137      133.11    170.07                                   
REMARK 500  2 LEU A 152      -77.48   -120.35                                   
REMARK 500  3 ALA A  74       63.43   -157.47                                   
REMARK 500  3 ALA A  76      170.25     63.26                                   
REMARK 500  3 GLU A  77       90.88   -178.08                                   
REMARK 500  3 ILE A  78      -66.88     69.07                                   
REMARK 500  3 SER A  79       22.70     49.97                                   
REMARK 500  3 SER A  85      103.75    -45.43                                   
REMARK 500  3 VAL A 111      109.07    -40.34                                   
REMARK 500  3 THR A 114      174.52    -49.43                                   
REMARK 500  3 LEU A 115      -46.31   -137.75                                   
REMARK 500  3 CYS A 116     -165.86   -178.47                                   
REMARK 500  3 LYS A 131       96.08    175.57                                   
REMARK 500  3 ALA A 137      133.21    168.56                                   
REMARK 500  3 SER A 142       92.40    -64.05                                   
REMARK 500  3 ASP A 149       -3.50     83.55                                   
REMARK 500  3 LEU A 152      -80.98   -122.00                                   
REMARK 500  4 ALA A  72      -54.47    168.01                                   
REMARK 500  4 ALA A  74       91.21     45.13                                   
REMARK 500  4 ALA A  75      -61.09   -124.24                                   
REMARK 500  4 ALA A  76      106.82    -40.96                                   
REMARK 500  4 GLU A  77      100.01   -178.25                                   
REMARK 500  4 SER A  79      -82.44     72.35                                   
REMARK 500  4 SER A  85      104.52    -46.67                                   
REMARK 500  4 ASP A  98       54.05   -108.25                                   
REMARK 500  4 VAL A 111      109.00    -40.38                                   
REMARK 500  4 CYS A 116     -164.71   -178.71                                   
REMARK 500  4 LYS A 131       84.70   -166.61                                   
REMARK 500  4 SER A 132      142.97    -39.20                                   
REMARK 500  4 VAL A 135      161.70    -41.75                                   
REMARK 500  4 LYS A 136      -47.08   -148.71                                   
REMARK 500  4 ALA A 137      132.93    168.46                                   
REMARK 500  4 ASP A 149       -6.19     83.82                                   
REMARK 500  4 LEU A 152      -80.69   -138.32                                   
REMARK 500  5 ALA A  75      -61.21   -148.29                                   
REMARK 500  5 ILE A  78       57.99    -94.57                                   
REMARK 500  5 SER A  79      -92.37     60.26                                   
REMARK 500  5 SER A  85      105.69    -39.36                                   
REMARK 500  5 ASP A  98       52.91   -101.84                                   
REMARK 500  5 VAL A 111      109.30    -40.04                                   
REMARK 500  5 CYS A 116     -168.76   -177.78                                   
REMARK 500  5 MET A 121       94.00    -37.37                                   
REMARK 500  5 LYS A 122       57.98     39.94                                   
REMARK 500  5 LYS A 131       89.99   -155.31                                   
REMARK 500  5 SER A 132      155.38    -39.12                                   
REMARK 500  5 VAL A 135      177.88     50.57                                   
REMARK 500  5 LYS A 136      -43.76   -167.81                                   
REMARK 500  5 ALA A 137      133.05    165.07                                   
REMARK 500  5 ASP A 149       -8.30     85.01                                   
REMARK 500  5 LEU A 152      -75.65   -128.47                                   
REMARK 500  6 ALA A  72       80.96     63.84                                   
REMARK 500  6 ALA A  74      101.45    -57.07                                   
REMARK 500  6 ALA A  76       66.90     62.05                                   
REMARK 500  6 ILE A  78     -167.70     44.68                                   
REMARK 500  6 SER A  79      -41.07     87.93                                   
REMARK 500  6 SER A  85      106.55    -50.62                                   
REMARK 500  6 ASP A  98       48.29    -98.55                                   
REMARK 500  6 VAL A 105      117.15    -39.96                                   
REMARK 500  6 VAL A 111      109.65    -40.35                                   
REMARK 500  6 THR A 114      174.80    -48.04                                   
REMARK 500  6 LEU A 115      -46.24   -138.08                                   
REMARK 500  6 CYS A 116     -172.92   -176.35                                   
REMARK 500  6 MET A 121       93.92    -37.72                                   
REMARK 500  6 LYS A 122       57.64     39.91                                   
REMARK 500  6 LYS A 131       97.68   -174.91                                   
REMARK 500  6 VAL A 135      165.79    -43.82                                   
REMARK 500  6 LYS A 136      -49.80   -150.85                                   
REMARK 500  6 ALA A 137      132.99    174.86                                   
REMARK 500  6 ASP A 149       -6.08     83.71                                   
REMARK 500  6 LEU A 152      -79.63   -139.20                                   
REMARK 500  7 GLU A  71      -59.28    179.88                                   
REMARK 500  7 SER A  79       79.55     69.11                                   
REMARK 500  7 SER A  85      101.05    -41.12                                   
REMARK 500  7 LYS A 100      170.47    -54.83                                   
REMARK 500  7 VAL A 111      109.03    -40.47                                   
REMARK 500  7 CYS A 116     -167.47   -178.75                                   
REMARK 500  7 LYS A 131       93.10   -175.09                                   
REMARK 500  7 SER A 132      146.53    -39.90                                   
REMARK 500  7 LYS A 136      -47.41   -142.21                                   
REMARK 500  7 ALA A 137      133.03    167.35                                   
REMARK 500  7 ASP A 149       -3.80     82.01                                   
REMARK 500  7 LEU A 152      -77.00   -123.41                                   
REMARK 500  8 GLU A  71       73.11   -173.64                                   
REMARK 500  8 ALA A  72      -54.69    168.28                                   
REMARK 500  8 ALA A  74      178.15     64.45                                   
REMARK 500  8 ALA A  75      -72.24   -110.41                                   
REMARK 500  8 ALA A  76      158.17    169.74                                   
REMARK 500  8 GLU A  77       77.80     45.32                                   
REMARK 500  8 ILE A  78      -86.65     66.58                                   
REMARK 500  8 SER A  85      104.12    -42.05                                   
REMARK 500  8 LYS A 100     -174.76    -52.48                                   
REMARK 500  8 VAL A 111      108.99    -40.36                                   
REMARK 500  8 THR A 114      175.10    -59.75                                   
REMARK 500  8 LEU A 115      -46.68   -135.70                                   
REMARK 500  8 CYS A 116     -160.73   -174.46                                   
REMARK 500  8 LYS A 131       88.25   -176.96                                   
REMARK 500  8 SER A 132      135.17    -39.25                                   
REMARK 500  8 ALA A 137      133.13    164.55                                   
REMARK 500  8 SER A 142      101.85    -38.74                                   
REMARK 500  8 ASP A 149       19.14     55.37                                   
REMARK 500  8 LEU A 152      -80.32   -119.23                                   
REMARK 500  9 GLU A  71     -174.07     47.41                                   
REMARK 500  9 ALA A  76      -61.07   -127.12                                   
REMARK 500  9 GLU A  77      110.98   -176.75                                   
REMARK 500  9 SER A  85      100.45    -40.31                                   
REMARK 500  9 VAL A 111      109.04    -40.40                                   
REMARK 500  9 THR A 114      174.67    -47.89                                   
REMARK 500  9 LEU A 115      -46.09   -138.58                                   
REMARK 500  9 CYS A 116     -167.06   -177.87                                   
REMARK 500  9 MET A 121       93.90    -37.99                                   
REMARK 500  9 LYS A 122       57.40     39.88                                   
REMARK 500  9 LYS A 131       93.58   -174.93                                   
REMARK 500  9 SER A 132      137.43    -39.95                                   
REMARK 500  9 ALA A 137      133.91    164.81                                   
REMARK 500  9 SER A 142       85.01    -64.88                                   
REMARK 500  9 ASP A 149       -5.60     83.20                                   
REMARK 500  9 LEU A 152      -79.95   -116.47                                   
REMARK 500 10 ALA A  72       99.99    -39.65                                   
REMARK 500 10 ALA A  74      -61.05   -137.90                                   
REMARK 500 10 ALA A  76      119.22     63.33                                   
REMARK 500 10 SER A  85      105.45    -45.96                                   
REMARK 500 10 ASP A  98       36.25    -99.95                                   
REMARK 500 10 CYS A 116     -173.28    174.06                                   
REMARK 500 10 LYS A 131       88.29   -174.31                                   
REMARK 500 10 SER A 132      137.51    -39.17                                   
REMARK 500 10 LYS A 136      -46.92   -145.22                                   
REMARK 500 10 ALA A 137      132.61    171.07                                   
REMARK 500 10 ASP A 149       -7.20     84.33                                   
REMARK 500 10 LEU A 152      -76.52   -127.26                                   
REMARK 500 11 GLU A  71       48.60     38.98                                   
REMARK 500 11 ALA A  75      -62.08     74.54                                   
REMARK 500 11 ILE A  78      144.18     65.57                                   
REMARK 500 11 SER A  85      105.98    -44.57                                   
REMARK 500 11 LYS A 100      176.93    -59.18                                   
REMARK 500 11 VAL A 111      108.74    -40.24                                   
REMARK 500 11 THR A 114      172.21    -53.47                                   
REMARK 500 11 LEU A 115      -46.04   -135.73                                   
REMARK 500 11 CYS A 116     -160.86   -178.13                                   
REMARK 500 11 LYS A 131       86.94   -172.37                                   
REMARK 500 11 SER A 132      130.04    -39.23                                   
REMARK 500 11 VAL A 135      160.96    -41.39                                   
REMARK 500 11 LYS A 136      -46.03   -150.88                                   
REMARK 500 11 ALA A 137      133.71    172.95                                   
REMARK 500 11 LEU A 152      -79.36   -114.63                                   
REMARK 500 12 GLU A  71      -42.60   -164.78                                   
REMARK 500 12 ALA A  74      -56.86    174.04                                   
REMARK 500 12 ALA A  76      -65.41    -96.68                                   
REMARK 500 12 GLU A  77      109.28   -164.44                                   
REMARK 500 12 SER A  79      -51.95     81.99                                   
REMARK 500 12 SER A  85       99.56    -39.05                                   
REMARK 500 12 ASP A  98       45.20   -105.51                                   
REMARK 500 12 VAL A 111      109.53    -40.41                                   
REMARK 500 12 CYS A 116     -173.27    176.17                                   
REMARK 500 12 MET A 121       19.52     54.85                                   
REMARK 500 12 LYS A 122       39.46     72.42                                   
REMARK 500 12 LYS A 131       94.64    179.83                                   
REMARK 500 12 SER A 132      149.09    -39.42                                   
REMARK 500 12 ALA A 137      140.46    167.61                                   
REMARK 500 12 ASP A 149       -8.56     84.95                                   
REMARK 500 12 LEU A 152      -81.78   -124.40                                   
REMARK 500 13 ALA A  74       91.30     43.52                                   
REMARK 500 13 ALA A  75      -67.18     68.94                                   
REMARK 500 13 ALA A  76      154.11    -40.46                                   
REMARK 500 13 ILE A  78       78.56     40.40                                   
REMARK 500 13 SER A  79      -58.96     73.45                                   
REMARK 500 13 SER A  85      107.12    -48.34                                   
REMARK 500 13 VAL A 111      109.37    -40.08                                   
REMARK 500 13 THR A 114      172.33    -53.87                                   
REMARK 500 13 LEU A 115      -45.74   -136.64                                   
REMARK 500 13 CYS A 116     -173.00   -178.86                                   
REMARK 500 13 LYS A 131       91.23   -169.98                                   
REMARK 500 13 SER A 132      141.63    -39.28                                   
REMARK 500 13 LYS A 136      -48.34   -130.94                                   
REMARK 500 13 ALA A 137      141.31    163.72                                   
REMARK 500 13 SER A 142      104.72    -36.65                                   
REMARK 500 13 ASP A 149       -8.36     85.46                                   
REMARK 500 13 LEU A 152      -79.48   -132.17                                   
REMARK 500 14 ALA A  72       84.92     64.16                                   
REMARK 500 14 ALA A  74       82.57   -175.49                                   
REMARK 500 14 ALA A  75       89.77    -68.60                                   
REMARK 500 14 ALA A  76      125.34   -173.58                                   
REMARK 500 14 GLU A  77       59.52   -115.26                                   
REMARK 500 14 ILE A  78     -160.08     40.98                                   
REMARK 500 14 SER A  79      -62.99    -92.68                                   
REMARK 500 14 SER A  85       99.24    -38.71                                   
REMARK 500 14 LYS A 100      170.82    -52.60                                   
REMARK 500 14 VAL A 111      109.44    -40.24                                   
REMARK 500 14 THR A 114      176.59    -55.30                                   
REMARK 500 14 LEU A 115      -46.54   -136.05                                   
REMARK 500 14 CYS A 116     -173.08   -175.90                                   
REMARK 500 14 MET A 121       93.58    -39.64                                   
REMARK 500 14 LYS A 131      112.43    178.76                                   
REMARK 500 14 SER A 132      146.79    -39.02                                   
REMARK 500 14 THR A 134       53.80   -142.26                                   
REMARK 500 14 VAL A 135      178.17     50.71                                   
REMARK 500 14 LYS A 136      -47.91   -166.78                                   
REMARK 500 14 ALA A 137      133.12    172.27                                   
REMARK 500 14 SER A 142       93.09    -69.62                                   
REMARK 500 14 ASP A 149       -9.13     85.27                                   
REMARK 500 14 LEU A 152      -76.40   -124.54                                   
REMARK 500 15 ALA A  72      -54.43    167.93                                   
REMARK 500 15 ALA A  76      177.13     53.05                                   
REMARK 500 15 GLU A  77       70.95     64.70                                   
REMARK 500 15 ILE A  78       60.37   -116.30                                   
REMARK 500 15 SER A  85      109.77    -57.78                                   
REMARK 500 15 VAL A  88      150.17    -49.13                                   
REMARK 500 15 ASP A  98       54.14   -108.11                                   
REMARK 500 15 VAL A 111      109.42    -40.41                                   
REMARK 500 15 CYS A 116     -170.09   -177.39                                   
REMARK 500 15 LYS A 131       88.55   -169.94                                   
REMARK 500 15 SER A 132      138.95    -39.30                                   
REMARK 500 15 ALA A 137      133.08    163.76                                   
REMARK 500 15 SER A 142       92.21    -50.18                                   
REMARK 500 15 ASP A 149       11.27     83.31                                   
REMARK 500 15 LEU A 152      -80.45   -136.48                                   
REMARK 500 16 GLU A  71      -59.31   -177.50                                   
REMARK 500 16 ALA A  72       99.96    -39.55                                   
REMARK 500 16 ALA A  74      157.21     61.83                                   
REMARK 500 16 ALA A  76      -62.63     74.53                                   
REMARK 500 16 GLU A  77       59.46   -168.04                                   
REMARK 500 16 SER A  79       90.24   -166.26                                   
REMARK 500 16 SER A  85      108.69    -55.21                                   
REMARK 500 16 ASP A  98       31.84    -96.46                                   
REMARK 500 16 VAL A 111      108.98    -39.80                                   
REMARK 500 16 THR A 114      172.35    -52.92                                   
REMARK 500 16 LEU A 115      -45.43   -137.51                                   
REMARK 500 16 CYS A 116     -172.44   -174.09                                   
REMARK 500 16 MET A 121       91.23    -47.29                                   
REMARK 500 16 LYS A 131       93.49   -169.44                                   
REMARK 500 16 SER A 132      136.70    -38.76                                   
REMARK 500 16 ALA A 137      134.55    164.17                                   
REMARK 500 16 SER A 142       99.05    -37.60                                   
REMARK 500 16 ASP A 149       -6.30     83.98                                   
REMARK 500 16 LEU A 152      -81.30   -137.56                                   
REMARK 500 17 GLU A  71      106.38   -166.83                                   
REMARK 500 17 ALA A  72       92.01     56.70                                   
REMARK 500 17 ALA A  74      -61.20   -168.79                                   
REMARK 500 17 ALA A  76      174.08     62.80                                   
REMARK 500 17 GLU A  77      109.94     64.21                                   
REMARK 500 17 SER A  85      106.51    -42.27                                   
REMARK 500 17 ASP A  98       50.53    -97.66                                   
REMARK 500 17 VAL A 111      108.84    -40.31                                   
REMARK 500 17 THR A 114      174.41    -56.26                                   
REMARK 500 17 LEU A 115      -46.90   -136.18                                   
REMARK 500 17 CYS A 116     -159.86   -178.59                                   
REMARK 500 17 LYS A 131       95.26   -177.25                                   
REMARK 500 17 SER A 132      129.92    -39.21                                   
REMARK 500 17 ALA A 137      132.72    163.65                                   
REMARK 500 17 ASP A 149       -2.53     81.26                                   
REMARK 500 17 LEU A 152      -80.23   -119.93                                   
REMARK 500 18 GLU A  71       66.26     60.82                                   
REMARK 500 18 ALA A  72      154.54     59.77                                   
REMARK 500 18 ALA A  76      103.94     59.41                                   
REMARK 500 18 GLU A  77      154.06     68.86                                   
REMARK 500 18 SER A  79       36.67     80.79                                   
REMARK 500 18 SER A  85      106.36    -50.20                                   
REMARK 500 18 ASP A  98       43.06    -95.71                                   
REMARK 500 18 VAL A 111      108.99    -40.42                                   
REMARK 500 18 CYS A 116     -165.48   -179.98                                   
REMARK 500 18 LYS A 131       89.28   -174.28                                   
REMARK 500 18 SER A 132      138.78    -39.40                                   
REMARK 500 18 LYS A 136      -48.11   -146.72                                   
REMARK 500 18 ALA A 137      133.03    172.61                                   
REMARK 500 18 SER A 142       99.88    -49.25                                   
REMARK 500 18 ASP A 149        3.18     84.31                                   
REMARK 500 18 LEU A 152      -81.82   -129.84                                   
REMARK 500 19 ALA A  74      -61.97     74.50                                   
REMARK 500 19 ALA A  75      -62.06     72.20                                   
REMARK 500 19 ILE A  78      177.28     51.80                                   
REMARK 500 19 SER A  79       75.93   -170.78                                   
REMARK 500 19 SER A  85      102.50    -43.29                                   
REMARK 500 19 VAL A 111      108.73    -40.17                                   
REMARK 500 19 CYS A 116     -172.92    176.47                                   
REMARK 500 19 MET A 121       92.53    -43.19                                   
REMARK 500 19 LYS A 131      106.80   -176.49                                   
REMARK 500 19 SER A 132      152.01    -39.10                                   
REMARK 500 19 VAL A 135      177.93     50.67                                   
REMARK 500 19 LYS A 136      -50.59   -165.30                                   
REMARK 500 19 ALA A 137      136.95    171.61                                   
REMARK 500 19 ASP A 149       -6.00     83.63                                   
REMARK 500 19 LEU A 152      -81.88   -132.51                                   
REMARK 500 20 ALA A  72       99.93    -39.54                                   
REMARK 500 20 ALA A  75      -81.20   -141.55                                   
REMARK 500 20 ALA A  76       81.67   -175.70                                   
REMARK 500 20 GLU A  77       50.60    173.87                                   
REMARK 500 20 ILE A  78       27.73     43.72                                   
REMARK 500 20 SER A  79       64.55     39.22                                   
REMARK 500 20 SER A  85      105.88    -45.46                                   
REMARK 500 20 ASP A  98       45.98    -93.92                                   
REMARK 500 20 VAL A 105      116.00    -39.70                                   
REMARK 500 20 VAL A 111      108.62    -39.91                                   
REMARK 500 20 CYS A 116     -170.42    176.82                                   
REMARK 500 20 LYS A 131       83.11   -154.54                                   
REMARK 500 20 SER A 132      137.87    -38.84                                   
REMARK 500 20 LYS A 136      -47.07   -145.48                                   
REMARK 500 20 ALA A 137      132.51    169.91                                   
REMARK 500 20 ASP A 149       -7.65     84.77                                   
REMARK 500 20 LEU A 152      -80.11   -132.10                                   
REMARK 500 21 GLU A  71     -173.69     47.22                                   
REMARK 500 21 ALA A  72       92.00   -175.81                                   
REMARK 500 21 SER A  79      -80.64    -43.20                                   
REMARK 500 21 SER A  85      100.70    -40.60                                   
REMARK 500 21 ASP A  98       35.53    -92.55                                   
REMARK 500 21 VAL A 105      116.66    -39.74                                   
REMARK 500 21 VAL A 111      109.45    -40.27                                   
REMARK 500 21 CYS A 116     -173.20    176.97                                   
REMARK 500 21 MET A 121       19.24     53.51                                   
REMARK 500 21 LYS A 122       41.40     73.39                                   
REMARK 500 21 LYS A 131       88.20   -168.61                                   
REMARK 500 21 SER A 132      137.02    -39.18                                   
REMARK 500 21 VAL A 135      159.27    -40.14                                   
REMARK 500 21 LYS A 136      -45.87   -149.65                                   
REMARK 500 21 ALA A 137      132.93    170.46                                   
REMARK 500 21 ASP A 149       -6.32     82.69                                   
REMARK 500 21 LEU A 152      -81.38   -117.94                                   
REMARK 500 22 GLU A  71      -65.25     68.60                                   
REMARK 500 22 ALA A  74       78.09     44.35                                   
REMARK 500 22 ALA A  75       72.25   -174.66                                   
REMARK 500 22 ALA A  76      -61.43   -125.35                                   
REMARK 500 22 ILE A  78      127.86     63.50                                   
REMARK 500 22 SER A  79       71.74   -179.40                                   
REMARK 500 22 SER A  85       99.61    -39.10                                   
REMARK 500 22 MET A  87      112.98   -166.16                                   
REMARK 500 22 LYS A 100     -179.13    -51.22                                   
REMARK 500 22 VAL A 111      109.01    -40.56                                   
REMARK 500 22 CYS A 116     -168.71   -178.67                                   
REMARK 500 22 MET A 123      144.97   -171.16                                   
REMARK 500 22 LYS A 131       83.48   -163.33                                   
REMARK 500 22 SER A 132      144.77    -39.34                                   
REMARK 500 22 LYS A 136      -47.52   -133.99                                   
REMARK 500 22 ALA A 137      133.11    166.56                                   
REMARK 500 22 SER A 142       95.52    -44.43                                   
REMARK 500 22 ASP A 149       -7.69     84.32                                   
REMARK 500 22 LEU A 152      -80.27   -126.01                                   
REMARK 500 23 ALA A  72       74.85     40.53                                   
REMARK 500 23 ALA A  74      -61.16    -98.43                                   
REMARK 500 23 ALA A  75       62.50   -173.20                                   
REMARK 500 23 ALA A  76      144.52     61.93                                   
REMARK 500 23 GLU A  77      116.91    179.26                                   
REMARK 500 23 SER A  79       86.83     42.10                                   
REMARK 500 23 SER A  85      103.28    -44.68                                   
REMARK 500 23 VAL A 111      108.94    -40.36                                   
REMARK 500 23 CYS A 116     -162.32   -179.71                                   
REMARK 500 23 MET A 121       19.90     54.43                                   
REMARK 500 23 LYS A 122       38.78     73.17                                   
REMARK 500 23 LYS A 131       99.73   -179.23                                   
REMARK 500 23 SER A 132      146.26    -39.29                                   
REMARK 500 23 LYS A 136      -50.46   -147.83                                   
REMARK 500 23 ALA A 137      140.82    171.17                                   
REMARK 500 23 ASP A 149       -5.16     82.94                                   
REMARK 500 23 LEU A 152      -81.59   -119.04                                   
REMARK 500 24 GLU A  71       81.13     65.70                                   
REMARK 500 24 ALA A  72       92.01     62.83                                   
REMARK 500 24 ALA A  76      -61.80    -90.25                                   
REMARK 500 24 SER A  79       89.41     39.76                                   
REMARK 500 24 SER A  85      107.16    -40.38                                   
REMARK 500 24 ASP A  98       36.09    -98.12                                   
REMARK 500 24 VAL A 111      108.96    -40.27                                   
REMARK 500 24 CYS A 116     -173.02    175.95                                   
REMARK 500 24 LYS A 131       92.03   -173.72                                   
REMARK 500 24 SER A 132      142.20    -39.23                                   
REMARK 500 24 LYS A 136      -48.97   -149.34                                   
REMARK 500 24 ALA A 137      133.01    172.67                                   
REMARK 500 24 GLN A 144      151.20    -48.92                                   
REMARK 500 24 ASP A 149       -6.33     83.84                                   
REMARK 500 24 LEU A 152      -71.78   -117.48                                   
REMARK 500 25 ALA A  74       61.53     63.93                                   
REMARK 500 25 ALA A  75     -173.47   -179.43                                   
REMARK 500 25 ALA A  76     -166.26    -59.03                                   
REMARK 500 25 GLU A  77      179.36     65.65                                   
REMARK 500 25 ILE A  78     -141.56     50.97                                   
REMARK 500 25 SER A  79       43.68    162.30                                   
REMARK 500 25 SER A  85      104.84    -38.69                                   
REMARK 500 25 ASP A  98       44.62   -107.89                                   
REMARK 500 25 VAL A 111      109.54    -40.32                                   
REMARK 500 25 CYS A 116     -169.96   -178.75                                   
REMARK 500 25 LYS A 131      104.00    169.67                                   
REMARK 500 25 SER A 132      149.30    -39.08                                   
REMARK 500 25 VAL A 135      178.17     50.56                                   
REMARK 500 25 LYS A 136      -50.29   -165.94                                   
REMARK 500 25 ALA A 137      137.96    173.58                                   
REMARK 500 25 PHE A 148      145.56    -34.25                                   
REMARK 500 25 ASP A 149      -12.36     86.16                                   
REMARK 500 25 LEU A 152      -81.56   -125.22                                   
REMARK 500 26 GLU A  71       81.59    179.14                                   
REMARK 500 26 ALA A  72      -54.71    168.37                                   
REMARK 500 26 ALA A  74       83.45   -175.88                                   
REMARK 500 26 ALA A  75      101.98   -174.55                                   
REMARK 500 26 ILE A  78     -166.99     44.67                                   
REMARK 500 26 SER A  79      130.49   -179.57                                   
REMARK 500 26 SER A  85      102.05    -42.64                                   
REMARK 500 26 LYS A 100      171.97    -47.07                                   
REMARK 500 26 VAL A 105      115.62    -39.92                                   
REMARK 500 26 VAL A 111      109.35    -40.17                                   
REMARK 500 26 CYS A 116     -163.36   -177.96                                   
REMARK 500 26 MET A 121       19.12     53.42                                   
REMARK 500 26 LYS A 122       41.93     74.07                                   
REMARK 500 26 LYS A 131       81.64   -169.61                                   
REMARK 500 26 SER A 132      147.03    -39.20                                   
REMARK 500 26 VAL A 135     -177.92     49.03                                   
REMARK 500 26 LYS A 136      -41.63   -171.10                                   
REMARK 500 26 ALA A 137      135.53    167.18                                   
REMARK 500 26 SER A 142      100.49    -42.80                                   
REMARK 500 26 ASP A 149       -4.26     82.24                                   
REMARK 500 26 LEU A 152      -81.61   -119.05                                   
REMARK 500 27 GLU A  71     -163.87     42.15                                   
REMARK 500 27 ALA A  72      -54.75    168.27                                   
REMARK 500 27 ALA A  74      -61.06   -175.96                                   
REMARK 500 27 GLU A  77       98.40     50.85                                   
REMARK 500 27 SER A  85      100.85    -40.87                                   
REMARK 500 27 MET A  87      111.32   -162.98                                   
REMARK 500 27 LYS A 100      174.56    -52.97                                   
REMARK 500 27 VAL A 111      109.11    -40.56                                   
REMARK 500 27 CYS A 116     -170.11    178.97                                   
REMARK 500 27 LYS A 131       95.07   -175.00                                   
REMARK 500 27 SER A 132      150.07    -39.39                                   
REMARK 500 27 ALA A 137      139.19    164.04                                   
REMARK 500 27 SER A 142       83.46    -64.43                                   
REMARK 500 27 ASP A 149      -10.00     84.94                                   
REMARK 500 27 LEU A 152      -79.42   -119.04                                   
REMARK 500 28 ALA A  74      155.14     59.60                                   
REMARK 500 28 GLU A  77      149.33     69.57                                   
REMARK 500 28 ILE A  78       30.92     39.16                                   
REMARK 500 28 SER A  85      106.53    -50.56                                   
REMARK 500 28 VAL A  88      151.03    -45.93                                   
REMARK 500 28 ASP A  98       51.67   -115.63                                   
REMARK 500 28 LYS A 100      171.48    -49.56                                   
REMARK 500 28 VAL A 111      108.77    -40.28                                   
REMARK 500 28 CYS A 116     -164.44   -178.76                                   
REMARK 500 28 LYS A 122       37.33     71.40                                   
REMARK 500 28 LYS A 131       95.87   -174.01                                   
REMARK 500 28 SER A 132      146.93    -39.23                                   
REMARK 500 28 ALA A 137      132.94    163.14                                   
REMARK 500 28 SER A 142       95.43    -44.30                                   
REMARK 500 28 ASP A 149       17.66     56.67                                   
REMARK 500 28 LEU A 152      -81.78   -130.35                                   
REMARK 500 29 GLU A  71      106.98    -48.09                                   
REMARK 500 29 ALA A  72      160.07     64.01                                   
REMARK 500 29 ALA A  75      162.92     64.00                                   
REMARK 500 29 ILE A  78     -147.50     40.58                                   
REMARK 500 29 SER A  79       44.59     82.29                                   
REMARK 500 29 SER A  85      106.17    -46.59                                   
REMARK 500 29 VAL A 111      108.69    -40.18                                   
REMARK 500 29 CYS A 116     -172.98    177.72                                   
REMARK 500 29 MET A 121       92.93    -42.08                                   
REMARK 500 29 LYS A 122       51.11     39.97                                   
REMARK 500 29 LYS A 131       96.97   -175.32                                   
REMARK 500 29 SER A 132      132.77    -39.25                                   
REMARK 500 29 VAL A 135      160.82    -41.26                                   
REMARK 500 29 LYS A 136      -46.41   -151.81                                   
REMARK 500 29 ALA A 137      132.46    174.16                                   
REMARK 500 29 SER A 142       95.07    -69.66                                   
REMARK 500 29 ASP A 149       -5.33     83.51                                   
REMARK 500 29 LEU A 152      -81.70   -132.39                                   
REMARK 500 30 GLU A  71       73.65     44.05                                   
REMARK 500 30 ALA A  76       84.69    -68.01                                   
REMARK 500 30 SER A  85      103.81    -45.48                                   
REMARK 500 30 ASP A  98       47.03    -99.47                                   
REMARK 500 30 VAL A 111      108.83    -40.20                                   
REMARK 500 30 CYS A 116     -173.20    174.89                                   
REMARK 500 30 LYS A 131       93.15   -164.84                                   
REMARK 500 30 SER A 132      138.66    -39.08                                   
REMARK 500 30 VAL A 135      161.25    -41.44                                   
REMARK 500 30 LYS A 136      -45.99   -151.89                                   
REMARK 500 30 ALA A 137      132.80    171.48                                   
REMARK 500 30 ASP A 149       -4.25     82.32                                   
REMARK 500 30 LEU A 152      -81.40   -123.29                                   
REMARK 500 31 ALA A  74     -176.92     55.21                                   
REMARK 500 31 ALA A  75      178.96     69.75                                   
REMARK 500 31 ALA A  76      110.91   -162.30                                   
REMARK 500 31 ILE A  78      155.33     65.04                                   
REMARK 500 31 SER A  85       99.47    -38.88                                   
REMARK 500 31 LYS A 100      170.79    -52.37                                   
REMARK 500 31 VAL A 111      108.97    -40.40                                   
REMARK 500 31 THR A 114      173.94    -53.82                                   
REMARK 500 31 LEU A 115      -46.58   -136.80                                   
REMARK 500 31 CYS A 116     -168.84   -175.38                                   
REMARK 500 31 LYS A 131      106.69    173.80                                   
REMARK 500 31 LYS A 136      -49.73   -149.01                                   
REMARK 500 31 ALA A 137      133.06    173.56                                   
REMARK 500 31 ASP A 149      -10.01     84.93                                   
REMARK 500 31 LEU A 152      -80.30   -120.87                                   
REMARK 500 32 GLU A  71      -55.45   -144.39                                   
REMARK 500 32 ALA A  74       94.67   -173.38                                   
REMARK 500 32 ALA A  76      -61.98     74.51                                   
REMARK 500 32 GLU A  77      157.35     59.41                                   
REMARK 500 32 SER A  85      103.99    -45.83                                   
REMARK 500 32 ASP A  98       43.08   -106.80                                   
REMARK 500 32 VAL A 111      109.58    -40.48                                   
REMARK 500 32 THR A 114      174.33    -52.29                                   
REMARK 500 32 LEU A 115      -45.98   -138.67                                   
REMARK 500 32 CYS A 116     -164.39   -176.55                                   
REMARK 500 32 ASP A 130       18.54   -145.14                                   
REMARK 500 32 LYS A 131       95.88    179.98                                   
REMARK 500 32 SER A 132      146.86    -39.35                                   
REMARK 500 32 VAL A 135      159.54    -45.10                                   
REMARK 500 32 LYS A 136      -48.77   -144.21                                   
REMARK 500 32 ALA A 137      132.92    174.37                                   
REMARK 500 32 ASP A 149       -7.20     84.48                                   
REMARK 500 32 LEU A 152      -80.88   -127.93                                   
REMARK 500 33 ALA A  72       84.39     43.74                                   
REMARK 500 33 ALA A  74       69.12   -108.51                                   
REMARK 500 33 GLU A  77       73.37   -174.04                                   
REMARK 500 33 ILE A  78     -169.74     45.83                                   
REMARK 500 33 SER A  79      -62.11   -132.49                                   
REMARK 500 33 SER A  85      101.30    -40.83                                   
REMARK 500 33 LYS A 100      173.35    -56.62                                   
REMARK 500 33 VAL A 111      109.05    -40.58                                   
REMARK 500 33 CYS A 116     -168.17   -176.05                                   
REMARK 500 33 MET A 121       93.53    -39.92                                   
REMARK 500 33 MET A 123      117.39   -160.99                                   
REMARK 500 33 LYS A 131       90.60   -174.89                                   
REMARK 500 33 SER A 132      135.12    -39.24                                   
REMARK 500 33 ALA A 137      133.17    166.98                                   
REMARK 500 33 ASP A 149       -3.50     81.73                                   
REMARK 500 33 LEU A 152      -79.78   -127.83                                   
REMARK 500 34 ALA A  72      -54.70    168.28                                   
REMARK 500 34 ALA A  76      -62.94     70.73                                   
REMARK 500 34 SER A  79       84.10    174.18                                   
REMARK 500 34 SER A  85      105.26    -47.98                                   
REMARK 500 34 ASP A  98       50.33    -99.35                                   
REMARK 500 34 VAL A 105      116.60    -39.95                                   
REMARK 500 34 VAL A 111      108.98    -40.44                                   
REMARK 500 34 CYS A 116     -171.04   -179.47                                   
REMARK 500 34 LYS A 131       90.04    177.81                                   
REMARK 500 34 SER A 132      143.40    -39.41                                   
REMARK 500 34 ALA A 137      135.08    167.81                                   
REMARK 500 34 SER A 142       99.17    -65.15                                   
REMARK 500 34 ASP A 149        3.25     84.68                                   
REMARK 500 34 LEU A 152      -81.59   -135.05                                   
REMARK 500 35 ALA A  72       68.76     63.09                                   
REMARK 500 35 ALA A  74      -60.90   -177.28                                   
REMARK 500 35 ALA A  75       91.54   -174.49                                   
REMARK 500 35 GLU A  77       59.83   -179.10                                   
REMARK 500 35 ILE A  78      166.52     55.98                                   
REMARK 500 35 SER A  79      -47.59   -172.41                                   
REMARK 500 35 SER A  85      104.60    -39.56                                   
REMARK 500 35 LYS A 100      170.81    -56.54                                   
REMARK 500 35 VAL A 111      108.98    -40.45                                   
REMARK 500 35 THR A 114      174.32    -59.17                                   
REMARK 500 35 LEU A 115      -46.57   -136.61                                   
REMARK 500 35 CYS A 116     -163.72   -174.53                                   
REMARK 500 35 LYS A 131       84.21   -173.11                                   
REMARK 500 35 SER A 132      132.58    -39.25                                   
REMARK 500 35 ALA A 137      133.11    166.90                                   
REMARK 500 35 ASP A 149       19.27     55.28                                   
REMARK 500 35 LEU A 152      -77.12    -99.64                                   
REMARK 500 36 GLU A  71      119.67   -178.16                                   
REMARK 500 36 ALA A  72       79.84   -164.72                                   
REMARK 500 36 ALA A  75      -61.08   -152.62                                   
REMARK 500 36 ALA A  76      172.52     55.80                                   
REMARK 500 36 ILE A  78      157.29    -41.54                                   
REMARK 500 36 SER A  85      104.82    -47.23                                   
REMARK 500 36 LYS A 100      178.59    -56.97                                   
REMARK 500 36 THR A 114      174.07    -51.23                                   
REMARK 500 36 LEU A 115      -46.57   -136.91                                   
REMARK 500 36 CYS A 116     -164.86   -172.96                                   
REMARK 500 36 LYS A 131       91.01   -179.68                                   
REMARK 500 36 SER A 132      149.58    -39.22                                   
REMARK 500 36 VAL A 135      178.14     50.63                                   
REMARK 500 36 LYS A 136      -48.33   -166.60                                   
REMARK 500 36 ALA A 137      133.94    167.93                                   
REMARK 500 36 ASP A 149       -5.43     83.16                                   
REMARK 500 36 LEU A 152      -81.82   -124.57                                   
REMARK 500 37 GLU A  71      -59.48     74.61                                   
REMARK 500 37 ALA A  74      -61.14    -94.40                                   
REMARK 500 37 GLU A  77      139.36     61.28                                   
REMARK 500 37 ILE A  78      -44.83   -166.40                                   
REMARK 500 37 SER A  85      105.96    -49.27                                   
REMARK 500 37 ASP A  98       48.42    -99.46                                   
REMARK 500 37 VAL A 105      116.16    -39.90                                   
REMARK 500 37 VAL A 111      109.57    -40.35                                   
REMARK 500 37 CYS A 116     -173.16    179.11                                   
REMARK 500 37 MET A 121       94.00    -37.91                                   
REMARK 500 37 LYS A 122       57.49     39.87                                   
REMARK 500 37 LYS A 131       84.13   -158.52                                   
REMARK 500 37 SER A 132      133.08    -39.11                                   
REMARK 500 37 ALA A 137      132.88    163.42                                   
REMARK 500 37 SER A 142       91.88    -60.29                                   
REMARK 500 37 ASP A 149       19.55     54.98                                   
REMARK 500 37 LEU A 152      -80.01   -110.19                                   
REMARK 500 38 GLU A  71      121.32     66.99                                   
REMARK 500 38 ALA A  72      168.53     59.57                                   
REMARK 500 38 ALA A  76       91.74     57.16                                   
REMARK 500 38 GLU A  77       59.77   -154.72                                   
REMARK 500 38 SER A  79       70.61     50.36                                   
REMARK 500 38 SER A  85      103.96    -45.78                                   
REMARK 500 38 VAL A 111      109.57    -40.28                                   
REMARK 500 38 CYS A 116     -176.19   -178.65                                   
REMARK 500 38 MET A 121       91.64    -46.05                                   
REMARK 500 38 LYS A 131       98.50    179.93                                   
REMARK 500 38 SER A 132      143.42    -39.17                                   
REMARK 500 38 VAL A 135      162.79    -49.56                                   
REMARK 500 38 LYS A 136      -50.53   -143.93                                   
REMARK 500 38 ALA A 137      132.99    173.85                                   
REMARK 500 38 SER A 142      101.16    -49.00                                   
REMARK 500 38 ASP A 149        1.41     81.88                                   
REMARK 500 38 LEU A 152      -81.88   -127.16                                   
REMARK 500 39 GLU A  71      -38.81    177.17                                   
REMARK 500 39 ALA A  72      -54.72    165.14                                   
REMARK 500 39 ALA A  74      -61.92     75.04                                   
REMARK 500 39 ALA A  76      152.13     60.89                                   
REMARK 500 39 ILE A  78      108.75     65.61                                   
REMARK 500 39 SER A  79       62.63   -176.25                                   
REMARK 500 39 SER A  85      106.14    -49.60                                   
REMARK 500 39 VAL A 111      109.52    -40.36                                   
REMARK 500 39 CYS A 116     -173.35   -179.93                                   
REMARK 500 39 LYS A 131       84.64   -163.20                                   
REMARK 500 39 SER A 132      141.39    -39.20                                   
REMARK 500 39 VAL A 135      160.91    -41.49                                   
REMARK 500 39 LYS A 136      -49.04   -143.46                                   
REMARK 500 39 ALA A 137      132.99    172.71                                   
REMARK 500 39 GLN A 144      150.29    -46.50                                   
REMARK 500 39 LEU A 152      -75.13   -113.68                                   
REMARK 500 40 GLU A  71      151.83     59.50                                   
REMARK 500 40 ALA A  75       74.17     48.33                                   
REMARK 500 40 GLU A  77      138.06     64.23                                   
REMARK 500 40 SER A  79     -174.02     47.43                                   
REMARK 500 40 SER A  85      105.82    -47.49                                   
REMARK 500 40 ASP A  98       33.98    -95.13                                   
REMARK 500 40 VAL A 111      108.20    -39.68                                   
REMARK 500 40 CYS A 116     -173.06    173.31                                   
REMARK 500 40 MET A 123      170.86    179.35                                   
REMARK 500 40 ALA A 129     -142.40     37.84                                   
REMARK 500 40 ASP A 130      -23.93    154.52                                   
REMARK 500 40 LYS A 131       95.03   -170.64                                   
REMARK 500 40 SER A 132      138.09    -38.15                                   
REMARK 500 40 LYS A 136      -46.99   -149.75                                   
REMARK 500 40 ALA A 137      132.33    163.77                                   
REMARK 500 40 ASP A 149       -5.16     82.91                                   
REMARK 500 40 LEU A 152      -77.10   -127.88                                   
REMARK 500 41 GLU A  71      149.22   -175.28                                   
REMARK 500 41 ALA A  72       91.87     55.29                                   
REMARK 500 41 ALA A  76       72.90   -174.18                                   
REMARK 500 41 GLU A  77      111.12   -177.57                                   
REMARK 500 41 ILE A  78      153.68     63.74                                   
REMARK 500 41 SER A  85       99.26    -38.67                                   
REMARK 500 41 LYS A 100     -176.29    -51.86                                   
REMARK 500 41 VAL A 111      109.48    -40.31                                   
REMARK 500 41 CYS A 116     -158.80   -178.64                                   
REMARK 500 41 LYS A 131       85.54   -168.75                                   
REMARK 500 41 SER A 132      132.94    -39.22                                   
REMARK 500 41 VAL A 135      160.59    -47.91                                   
REMARK 500 41 LYS A 136      -47.95   -145.07                                   
REMARK 500 41 ALA A 137      133.11    173.00                                   
REMARK 500 41 ASP A 149       -6.00     83.56                                   
REMARK 500 41 LEU A 152      -81.91   -125.09                                   
REMARK 500 42 ALA A  75      -62.25    -91.30                                   
REMARK 500 42 GLU A  77      120.34     60.12                                   
REMARK 500 42 SER A  79       89.52   -167.82                                   
REMARK 500 42 SER A  85      102.01    -42.53                                   
REMARK 500 42 VAL A 111      109.43    -40.23                                   
REMARK 500 42 CYS A 116     -169.90    177.91                                   
REMARK 500 42 MET A 121       91.94    -45.18                                   
REMARK 500 42 LYS A 131       97.64   -165.65                                   
REMARK 500 42 SER A 132      154.74    -39.06                                   
REMARK 500 42 VAL A 135      177.95     50.56                                   
REMARK 500 42 LYS A 136      -50.17   -166.00                                   
REMARK 500 42 ALA A 137      132.99    172.08                                   
REMARK 500 42 ASP A 149        0.30     83.97                                   
REMARK 500 42 LEU A 152      -81.89   -131.64                                   
REMARK 500 43 GLU A  71      -78.45    -98.05                                   
REMARK 500 43 ALA A  74       96.54     61.90                                   
REMARK 500 43 ALA A  76      -62.06     74.49                                   
REMARK 500 43 GLU A  77      168.57     60.34                                   
REMARK 500 43 SER A  79      -48.15   -178.36                                   
REMARK 500 43 SER A  85      107.25    -51.86                                   
REMARK 500 43 VAL A  88      150.66    -46.85                                   
REMARK 500 43 LYS A 100     -176.28    -51.87                                   
REMARK 500 43 CYS A 116     -164.66   -178.99                                   
REMARK 500 43 MET A 121       19.36     52.89                                   
REMARK 500 43 LYS A 122       42.82     73.23                                   
REMARK 500 43 LYS A 131       85.42   -174.71                                   
REMARK 500 43 SER A 132      137.59    -39.39                                   
REMARK 500 43 VAL A 135      157.82    -40.52                                   
REMARK 500 43 LYS A 136      -47.22   -142.58                                   
REMARK 500 43 ALA A 137      133.20    170.98                                   
REMARK 500 43 SER A 142       96.90    -38.99                                   
REMARK 500 43 ASP A 149        9.66     82.94                                   
REMARK 500 43 LEU A 152      -81.40   -134.21                                   
REMARK 500 44 ALA A  72      166.00     59.67                                   
REMARK 500 44 ALA A  74      -62.10     71.47                                   
REMARK 500 44 ALA A  75       69.34   -115.35                                   
REMARK 500 44 GLU A  77       94.62     67.94                                   
REMARK 500 44 SER A  79       55.63     80.01                                   
REMARK 500 44 SER A  85      101.47    -41.72                                   
REMARK 500 44 VAL A 111      109.40    -40.07                                   
REMARK 500 44 THR A 114      175.00    -54.95                                   
REMARK 500 44 LEU A 115      -46.42   -136.76                                   
REMARK 500 44 CYS A 116     -157.26   -177.96                                   
REMARK 500 44 LYS A 131       91.13   -171.68                                   
REMARK 500 44 SER A 132      134.24    -39.19                                   
REMARK 500 44 VAL A 135      161.29    -42.00                                   
REMARK 500 44 LYS A 136      -46.11   -151.73                                   
REMARK 500 44 ALA A 137      132.98    170.90                                   
REMARK 500 44 ASP A 149       -5.80     83.45                                   
REMARK 500 44 LEU A 152      -81.75   -123.04                                   
REMARK 500 45 GLU A  71     -169.28     44.04                                   
REMARK 500 45 ALA A  74      115.36     64.07                                   
REMARK 500 45 ALA A  76      126.07   -171.10                                   
REMARK 500 45 GLU A  77      103.85   -172.99                                   
REMARK 500 45 ILE A  78      -60.46   -141.25                                   
REMARK 500 45 SER A  79      104.16    -39.37                                   
REMARK 500 45 SER A  85      103.32    -38.45                                   
REMARK 500 45 VAL A 111      109.96    -40.36                                   
REMARK 500 45 THR A 114      174.21    -59.20                                   
REMARK 500 45 LEU A 115      -46.85   -136.14                                   
REMARK 500 45 CYS A 116     -173.31   -178.50                                   
REMARK 500 45 LYS A 131      105.95    175.34                                   
REMARK 500 45 SER A 132      154.66    -39.29                                   
REMARK 500 45 VAL A 135      179.06     50.49                                   
REMARK 500 45 LYS A 136      -49.07   -163.41                                   
REMARK 500 45 ALA A 137      133.05    166.86                                   
REMARK 500 45 PHE A 148       92.35    -50.53                                   
REMARK 500 45 ASP A 149      -48.49    150.65                                   
REMARK 500 45 LEU A 152      -78.90   -105.30                                   
REMARK 500 46 ALA A  76      -61.87   -169.00                                   
REMARK 500 46 GLU A  77       73.75   -153.36                                   
REMARK 500 46 ILE A  78     -171.77    -67.01                                   
REMARK 500 46 SER A  79       60.03     64.74                                   
REMARK 500 46 SER A  85      107.67    -52.70                                   
REMARK 500 46 LYS A 100      179.25    -54.51                                   
REMARK 500 46 VAL A 111      108.73    -40.05                                   
REMARK 500 46 CYS A 116     -157.37   -178.88                                   
REMARK 500 46 LYS A 131       87.11   -163.19                                   
REMARK 500 46 SER A 132      134.99    -39.30                                   
REMARK 500 46 VAL A 135      157.82    -40.31                                   
REMARK 500 46 LYS A 136      -47.11   -142.66                                   
REMARK 500 46 ALA A 137      132.95    172.26                                   
REMARK 500 46 SER A 142      101.17    -39.28                                   
REMARK 500 46 ASP A 149       13.72     81.50                                   
REMARK 500 46 LEU A 152      -81.60   -132.61                                   
REMARK 500 47 GLU A  71      -65.98     69.36                                   
REMARK 500 47 ALA A  74     -179.52    -69.92                                   
REMARK 500 47 ALA A  75       58.46   -140.20                                   
REMARK 500 47 ALA A  76      -63.89     69.80                                   
REMARK 500 47 SER A  79       74.67     45.87                                   
REMARK 500 47 SER A  85      105.00    -47.43                                   
REMARK 500 47 VAL A 111      109.60    -40.48                                   
REMARK 500 47 CYS A 116     -173.52    172.49                                   
REMARK 500 47 LYS A 131       95.98   -178.81                                   
REMARK 500 47 SER A 132      141.62    -39.40                                   
REMARK 500 47 VAL A 135      159.96    -40.84                                   
REMARK 500 47 LYS A 136      -49.20   -141.90                                   
REMARK 500 47 ALA A 137      137.23    171.20                                   
REMARK 500 47 LEU A 152      -76.70   -121.68                                   
REMARK 500 48 ALA A  76      173.92     63.09                                   
REMARK 500 48 GLU A  77      109.26     65.93                                   
REMARK 500 48 ILE A  78      117.01     63.90                                   
REMARK 500 48 SER A  85      108.79    -55.10                                   
REMARK 500 48 ASP A  98       40.66    -99.40                                   
REMARK 500 48 LYS A 100      171.50    -57.93                                   
REMARK 500 48 VAL A 105      115.89    -39.59                                   
REMARK 500 48 VAL A 111      109.60    -40.48                                   
REMARK 500 48 CYS A 116     -172.77    175.36                                   
REMARK 500 48 LYS A 131       83.96   -169.08                                   
REMARK 500 48 SER A 132      144.69    -39.30                                   
REMARK 500 48 ALA A 137      136.78    164.63                                   
REMARK 500 48 SER A 142       95.25    -48.24                                   
REMARK 500 48 ASP A 149       11.09     80.06                                   
REMARK 500 48 LEU A 152      -80.60   -136.53                                   
REMARK 500 49 GLU A  71      150.38    -48.84                                   
REMARK 500 49 ALA A  74      176.46     63.77                                   
REMARK 500 49 ALA A  75       99.75   -168.46                                   
REMARK 500 49 GLU A  77      142.99     66.24                                   
REMARK 500 49 ILE A  78      -53.35   -138.92                                   
REMARK 500 49 SER A  79       96.94    160.26                                   
REMARK 500 49 SER A  85       99.28    -38.68                                   
REMARK 500 49 ASP A  98       55.27   -118.01                                   
REMARK 500 49 LYS A 100      171.69    -49.03                                   
REMARK 500 49 VAL A 111      109.54    -40.36                                   
REMARK 500 49 CYS A 116     -166.05   -178.63                                   
REMARK 500 49 LYS A 131       82.89   -161.34                                   
REMARK 500 49 SER A 132      138.76    -39.19                                   
REMARK 500 49 VAL A 135      162.03    -41.87                                   
REMARK 500 49 LYS A 136      -48.57   -146.22                                   
REMARK 500 49 ALA A 137      133.07    172.65                                   
REMARK 500 49 GLN A 144      150.55    -47.77                                   
REMARK 500 49 ASP A 149       -6.63     83.12                                   
REMARK 500 49 LEU A 152      -75.02   -117.16                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1A6X A   70   156  UNP    P0ABD8   BCCP_ECOLI      70    156             
SEQRES   1 A   87  MET GLU ALA PRO ALA ALA ALA GLU ILE SER GLY HIS ILE          
SEQRES   2 A   87  VAL ARG SER PRO MET VAL GLY THR PHE TYR ARG THR PRO          
SEQRES   3 A   87  SER PRO ASP ALA LYS ALA PHE ILE GLU VAL GLY GLN LYS          
SEQRES   4 A   87  VAL ASN VAL GLY ASP THR LEU CYS ILE VAL GLU ALA MET          
SEQRES   5 A   87  LYS MET MET ASN GLN ILE GLU ALA ASP LYS SER GLY THR          
SEQRES   6 A   87  VAL LYS ALA ILE LEU VAL GLU SER GLY GLN PRO VAL GLU          
SEQRES   7 A   87  PHE ASP GLU PRO LEU VAL VAL ILE GLU                          
SHEET    1   A 3 THR A  90  TYR A  92  0                                        
SHEET    2   A 3 THR A 114  ALA A 120 -1  N  GLU A 119   O  THR A  90           
SHEET    3   A 3 MET A 123  GLU A 128 -1  N  ILE A 127   O  LEU A 115           
SHEET    1   B 2 VAL A 135  ILE A 138  0                                        
SHEET    2   B 2 VAL A 153  ILE A 155 -1  N  VAL A 154   O  LYS A 136           
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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