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Entry: 1KMG
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HEADER    OXIDOREDUCTASE                          15-DEC-01   1KMG              
TITLE     THE SOLUTION STRUCTURE OF MONOMERIC COPPER-FREE SUPEROXIDE            
TITLE    2 DISMUTASE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUPEROXIDE DISMUTASE;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 1.15.1.1;                                                        
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SOD1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: TOPP 1 (STRATAGENE);                       
SOURCE   9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM;                      
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PPHSOD1IQ                                 
KEYWDS    OXIDOREDUCTASE, SUPEROXIDE DISMUTASE, NMR, COPPER-FREE                
KEYWDS   2 PROTEIN, BETA-BARREL                                                 
EXPDTA    SOLUTION NMR                                                          
NUMMDL    35                                                                    
AUTHOR    L.BANCI,I.BERTINI,F.CANTINI,M.D'ONOFRIO,M.S.VIEZZOLI                  
REVDAT   3   24-FEB-09 1KMG    1       VERSN                                    
REVDAT   2   01-APR-03 1KMG    1       JRNL                                     
REVDAT   1   02-OCT-02 1KMG    0                                                
JRNL        AUTH   L.BANCI,I.BERTINI,F.CANTINI,M.D'ONOFRIO,                     
JRNL        AUTH 2 M.S.VIEZZOLI                                                 
JRNL        TITL   STRUCTURE AND DYNAMICS OF COPPER-FREE SOD: THE               
JRNL        TITL 2 PROTEIN BEFORE BINDING COPPER.                               
JRNL        REF    PROTEIN SCI.                  V.  11  2479 2002              
JRNL        REFN                   ISSN 0961-8368                               
JRNL        PMID   12237469                                                     
JRNL        DOI    10.1110/PS.0210802                                           
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 5.0                                            
REMARK   3   AUTHORS     : PEARLMAN, D.A., CASE, D.A., CALDWELL, J.W.,          
REMARK   3                 ROSS, W.S., CHEATHAM, T.E., FERGUSON, D.M.,          
REMARK   3                 SEIBEL, G.L., SINGH, U.C., WEINER, P.K., AND         
REMARK   3                 KOLLMAN, P.A. (1997)                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1KMG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-DEC-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB015109.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5                                  
REMARK 210  IONIC STRENGTH                 : 20 MM PHOSPHATE                    
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 2MM OF 15N AND 13C ENRICHED        
REMARK 210                                   SUPEROXIDE DISMUTASE; 2MM OF       
REMARK 210                                   15N AND 13C ENRICHED               
REMARK 210                                   SUPEROXIDE DISMUTASE; 2MM          
REMARK 210                                   UNLABELLED SUPEROXIDE DISMUTASE    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-SEPARATED_NOESY, CBCA(CO)      
REMARK 210                                   NH, CBCANH, HNCO, HN(CA)CO,        
REMARK 210                                   CC(CO)NH-TOCSY, 13C-HCCH-          
REMARK 210                                   TOCSY, 2D NOESY                    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 700 MHZ, 600 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR, XEASY 1.3, DIANA          
REMARK 210                                   1.5, CORMA, GARANT 2.0             
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR      
REMARK 210  SPECTROSCOPY ON 13C, 15N LABELED SOD                                
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  3 CYS A 146   CA  -  CB  -  SG  ANGL. DEV. =   8.5 DEGREES          
REMARK 500 11 CYS A  57   CA  -  CB  -  SG  ANGL. DEV. =   6.7 DEGREES          
REMARK 500 18 ARG A  79   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500 32 ARG A 115   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500 34 PHE A  20   CB  -  CG  -  CD2 ANGL. DEV. =  -5.0 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 THR A   2      121.38     92.53                                   
REMARK 500  1 LYS A   9      -52.05   -135.22                                   
REMARK 500  1 SER A  25      -68.55   -101.69                                   
REMARK 500  1 GLU A  49     -103.39    -51.30                                   
REMARK 500  1 GLU A  51     -107.39    -73.99                                   
REMARK 500  1 THR A  54      -55.21   -170.22                                   
REMARK 500  1 ALA A  55      -53.01   -170.37                                   
REMARK 500  1 THR A  58        7.74   -156.41                                   
REMARK 500  1 SER A  59      -40.67   -176.00                                   
REMARK 500  1 LEU A  67      -65.70   -155.84                                   
REMARK 500  1 SER A  68       71.45   -154.95                                   
REMARK 500  1 ARG A  79      160.57    177.33                                   
REMARK 500  1 VAL A  81       39.62    -79.49                                   
REMARK 500  1 ASP A  90      -90.38    -74.11                                   
REMARK 500  1 LYS A  91      -34.37   -158.23                                   
REMARK 500  1 ASP A 109     -105.60     55.10                                   
REMARK 500  1 GLU A 121      -71.96    -50.82                                   
REMARK 500  1 LEU A 126      -13.71     72.63                                   
REMARK 500  1 ASN A 131      -78.54   -141.42                                   
REMARK 500  1 GLU A 132      -54.06    179.56                                   
REMARK 500  1 SER A 134      -77.13    -29.57                                   
REMARK 500  1 ASN A 139       57.13     36.25                                   
REMARK 500  1 LEU A 144      -72.64   -120.32                                   
REMARK 500  1 ILE A 151       57.00    -98.65                                   
REMARK 500  2 LYS A   9      -47.97   -139.77                                   
REMARK 500  2 ASN A  26       83.04   -161.47                                   
REMARK 500  2 LEU A  38     -168.16    -72.14                                   
REMARK 500  2 GLU A  40      175.95    -51.24                                   
REMARK 500  2 GLU A  51     -153.31    -80.61                                   
REMARK 500  2 ASN A  53      -84.15   -152.79                                   
REMARK 500  2 CYS A  57       29.49    -74.79                                   
REMARK 500  2 SER A  59       68.74    177.69                                   
REMARK 500  2 ALA A  60      -86.49   -141.61                                   
REMARK 500  2 HIS A  63       57.57    -62.17                                   
REMARK 500  2 PHE A  64       77.40     35.88                                   
REMARK 500  2 LEU A  67      -66.63   -155.33                                   
REMARK 500  2 SER A  68       74.71   -154.40                                   
REMARK 500  2 ARG A  79      147.36    156.37                                   
REMARK 500  2 LYS A  91      -55.99   -168.35                                   
REMARK 500  2 SER A  98       70.40   -156.95                                   
REMARK 500  2 GLU A 121      -72.15    -45.16                                   
REMARK 500  2 LEU A 126       -7.61     81.55                                   
REMARK 500  2 ASN A 131      -89.48    177.64                                   
REMARK 500  2 GLU A 132      -57.35   -170.38                                   
REMARK 500  2 THR A 137      -52.28   -132.53                                   
REMARK 500  2 SER A 142     -179.71    -67.76                                   
REMARK 500  2 LEU A 144      -85.27   -121.50                                   
REMARK 500  2 ILE A 151       55.39    -92.11                                   
REMARK 500  3 LYS A   9      -53.20   -132.23                                   
REMARK 500  3 PRO A  13       40.59    -77.52                                   
REMARK 500  3 ASN A  26       37.21    -82.00                                   
REMARK 500  3 GLU A  49      -90.87    -33.97                                   
REMARK 500  3 GLU A  51       43.69    -78.71                                   
REMARK 500  3 ASP A  52      135.37    179.10                                   
REMARK 500  3 SER A  59      -96.89     45.18                                   
REMARK 500  3 ALA A  60     -118.42     28.67                                   
REMARK 500  3 LEU A  67      -70.08   -155.81                                   
REMARK 500  3 SER A  68       69.53   -157.43                                   
REMARK 500  3 ARG A  79      150.00   -177.69                                   
REMARK 500  3 ASP A  90      -87.49    -76.45                                   
REMARK 500  3 LYS A  91      -53.79   -125.96                                   
REMARK 500  3 SER A  98       59.69   -158.16                                   
REMARK 500  3 VAL A 103      -54.33   -127.57                                   
REMARK 500  3 ASP A 109      -73.74    -84.71                                   
REMARK 500  3 ILE A 113      119.03    -16.85                                   
REMARK 500  3 GLU A 121      -70.33    -39.61                                   
REMARK 500  3 ASN A 131      117.44   -163.58                                   
REMARK 500  3 GLN A 133      -49.64    -27.54                                   
REMARK 500  3 LEU A 144      -71.16   -109.26                                   
REMARK 500  3 ILE A 151       58.43    -90.55                                   
REMARK 500  4 LYS A   9      -50.31   -149.65                                   
REMARK 500  4 PRO A  13       27.69    -75.19                                   
REMARK 500  4 GLU A  24     -167.40    -77.81                                   
REMARK 500  4 ASN A  26       35.84    179.03                                   
REMARK 500  4 GLU A  50       87.34      2.21                                   
REMARK 500  4 ASP A  52       92.85    178.69                                   
REMARK 500  4 THR A  54      -42.31    178.47                                   
REMARK 500  4 ALA A  55      -46.93    169.34                                   
REMARK 500  4 CYS A  57     -129.37   -169.06                                   
REMARK 500  4 SER A  59      -10.71   -172.33                                   
REMARK 500  4 PHE A  64       75.44     59.79                                   
REMARK 500  4 LEU A  67      -93.49   -138.49                                   
REMARK 500  4 ARG A  79      134.69   -170.84                                   
REMARK 500  4 ASP A  90      -89.30    -60.51                                   
REMARK 500  4 LYS A  91      -45.07   -172.88                                   
REMARK 500  4 VAL A  97       56.81   -116.35                                   
REMARK 500  4 HIS A 110      -36.05   -158.40                                   
REMARK 500  4 SER A 111      155.03    -44.47                                   
REMARK 500  4 ILE A 113      131.42    -39.08                                   
REMARK 500  4 GLU A 121      -79.27    -47.78                                   
REMARK 500  4 ASN A 131      103.62    -50.45                                   
REMARK 500  4 GLN A 133      -44.78    -28.08                                   
REMARK 500  4 SER A 134      -73.16    -49.62                                   
REMARK 500  4 LEU A 144      -71.52   -107.73                                   
REMARK 500  5 LYS A   9      -57.37   -134.58                                   
REMARK 500  5 PRO A  13       46.77    -78.38                                   
REMARK 500  5 LYS A  23      -90.26    -84.97                                   
REMARK 500  5 GLU A  40      177.90    -59.47                                   
REMARK 500  5 GLU A  49      -76.41    -40.76                                   
REMARK 500  5 SER A  59       40.25   -177.76                                   
REMARK 500  5 PHE A  64      106.66    -37.89                                   
REMARK 500  5 LEU A  67      -82.35   -143.53                                   
REMARK 500  5 ASP A  83      113.55   -165.80                                   
REMARK 500  5 LEU A  84      -61.39    -94.13                                   
REMARK 500  5 ASP A  90      -90.07    -63.47                                   
REMARK 500  5 LYS A  91      -40.66   -174.23                                   
REMARK 500  5 VAL A  97       55.54   -109.95                                   
REMARK 500  5 SER A 107       38.60   -156.87                                   
REMARK 500  5 ILE A 113      127.36    -33.63                                   
REMARK 500  5 GLU A 121      -77.53    -41.27                                   
REMARK 500  5 SER A 134      -72.16    -54.99                                   
REMARK 500  5 THR A 137      -53.08   -128.68                                   
REMARK 500  5 LEU A 144      -76.88   -116.55                                   
REMARK 500  5 ILE A 151       56.91    -93.61                                   
REMARK 500  6 LYS A   9      -49.27   -149.24                                   
REMARK 500  6 ASP A  11      -60.15   -102.75                                   
REMARK 500  6 ASN A  26       85.40   -153.34                                   
REMARK 500  6 LEU A  38     -155.38    -76.58                                   
REMARK 500  6 GLU A  40      132.96    -34.19                                   
REMARK 500  6 GLU A  49     -112.22    -71.78                                   
REMARK 500  6 ASP A  52       95.88   -175.91                                   
REMARK 500  6 THR A  54      -49.99    177.48                                   
REMARK 500  6 ALA A  55      -41.09    179.44                                   
REMARK 500  6 THR A  58        8.58   -160.96                                   
REMARK 500  6 SER A  59      -43.96   -167.90                                   
REMARK 500  6 ALA A  60     -145.04    -83.06                                   
REMARK 500  6 PHE A  64      108.09    -50.82                                   
REMARK 500  6 LEU A  67      -84.09   -139.48                                   
REMARK 500  6 ARG A  79      133.05    176.47                                   
REMARK 500  6 VAL A  81       44.22    -83.55                                   
REMARK 500  6 ASP A  90      -89.69    -79.72                                   
REMARK 500  6 LYS A  91      -57.84   -131.40                                   
REMARK 500  6 GLU A 121      -73.40    -47.57                                   
REMARK 500  6 GLU A 132      -71.66    -52.09                                   
REMARK 500  6 THR A 137      -46.27   -133.47                                   
REMARK 500  6 ASN A 139       56.28     34.36                                   
REMARK 500  6 LEU A 144      -73.10   -106.64                                   
REMARK 500  6 ILE A 151       57.41    -92.77                                   
REMARK 500  7 LYS A   9      -64.20   -143.73                                   
REMARK 500  7 ASP A  11      -55.98   -126.43                                   
REMARK 500  7 PRO A  13       34.25    -76.74                                   
REMARK 500  7 LEU A  38     -156.05    -77.33                                   
REMARK 500  7 GLU A  40      141.39    -37.98                                   
REMARK 500  7 THR A  58       75.55   -118.78                                   
REMARK 500  7 SER A  59      -68.07    179.29                                   
REMARK 500  7 PHE A  64       93.55     -5.56                                   
REMARK 500  7 LEU A  67      -73.11   -137.54                                   
REMARK 500  7 SER A  68       83.37   -154.00                                   
REMARK 500  7 LYS A  91      -53.94   -168.87                                   
REMARK 500  7 SER A  98       61.35   -155.42                                   
REMARK 500  7 SER A 102       51.41   -144.75                                   
REMARK 500  7 VAL A 103      -54.42   -132.40                                   
REMARK 500  7 ASP A 109     -106.90     55.52                                   
REMARK 500  7 ASN A 139       52.72     27.63                                   
REMARK 500  7 LEU A 144      -69.43   -128.73                                   
REMARK 500  7 ILE A 151       57.95    -90.56                                   
REMARK 500  8 LYS A   9      -50.99   -149.45                                   
REMARK 500  8 PRO A  13       40.60    -77.11                                   
REMARK 500  8 LYS A  23       36.38    -89.36                                   
REMARK 500  8 GLU A  24     -138.06   -125.63                                   
REMARK 500  8 SER A  25      -76.62   -130.30                                   
REMARK 500  8 GLU A  40      174.85    -56.87                                   
REMARK 500  8 GLU A  50       54.60     38.91                                   
REMARK 500  8 ASP A  52       55.88   -141.71                                   
REMARK 500  8 THR A  54      -47.46    179.47                                   
REMARK 500  8 ALA A  55      -48.28    177.25                                   
REMARK 500  8 THR A  58       -1.81   -159.75                                   
REMARK 500  8 SER A  59      -48.18   -160.30                                   
REMARK 500  8 ALA A  60     -114.19    -81.04                                   
REMARK 500  8 LEU A  67      -72.64   -146.52                                   
REMARK 500  8 SER A  68       92.70   -161.74                                   
REMARK 500  8 ARG A  79      134.66   -175.05                                   
REMARK 500  8 ASP A  90      -80.98    -66.72                                   
REMARK 500  8 LYS A  91      -43.54   -160.20                                   
REMARK 500  8 ASP A  92       30.61    -81.99                                   
REMARK 500  8 ASP A 109      -67.97   -100.14                                   
REMARK 500  8 ILE A 113      126.00    -26.55                                   
REMARK 500  8 GLU A 121      -83.45    -33.30                                   
REMARK 500  8 LEU A 144      -82.27   -112.19                                   
REMARK 500  8 ILE A 151       57.89    -91.62                                   
REMARK 500  9 LYS A   9      -65.05   -140.15                                   
REMARK 500  9 PRO A  13       42.80    -78.33                                   
REMARK 500  9 GLN A  15       75.69   -152.61                                   
REMARK 500  9 GLU A  24     -150.50   -105.52                                   
REMARK 500  9 GLU A  49       35.01    -73.35                                   
REMARK 500  9 GLU A  50       59.98    -90.78                                   
REMARK 500  9 THR A  54       43.58    -77.30                                   
REMARK 500  9 ALA A  55      -53.57   -172.98                                   
REMARK 500  9 CYS A  57       54.22    178.92                                   
REMARK 500  9 THR A  58       70.53   -151.73                                   
REMARK 500  9 SER A  59        5.32   -175.82                                   
REMARK 500  9 LEU A  67      -82.28   -147.22                                   
REMARK 500  9 ARG A  79      144.45    157.67                                   
REMARK 500  9 ASP A  90      -78.90    -74.32                                   
REMARK 500  9 LYS A  91      -52.43   -154.39                                   
REMARK 500  9 SER A 102       57.18   -116.95                                   
REMARK 500  9 VAL A 103      -64.46   -139.56                                   
REMARK 500  9 SER A 107      -73.28    -73.99                                   
REMARK 500  9 ASP A 109      -80.91     51.87                                   
REMARK 500  9 GLU A 121      -78.05    -37.32                                   
REMARK 500  9 ASN A 131      106.62   -176.67                                   
REMARK 500  9 THR A 137      -47.88   -130.81                                   
REMARK 500  9 ILE A 151       59.54    -90.82                                   
REMARK 500 10 LYS A   9      -51.69   -151.58                                   
REMARK 500 10 GLN A  22      -62.40   -147.42                                   
REMARK 500 10 LYS A  23      -48.41     72.82                                   
REMARK 500 10 SER A  25      -66.57    -19.36                                   
REMARK 500 10 GLU A  40      170.11    -58.61                                   
REMARK 500 10 GLU A  50      100.64     -4.58                                   
REMARK 500 10 THR A  54     -163.16   -169.92                                   
REMARK 500 10 THR A  58       -8.56   -151.38                                   
REMARK 500 10 SER A  59        2.61   -173.80                                   
REMARK 500 10 LEU A  67      -72.32   -156.20                                   
REMARK 500 10 SER A  68       63.21   -154.09                                   
REMARK 500 10 ASP A  90      -90.67    -83.13                                   
REMARK 500 10 LYS A  91      -34.38   -141.20                                   
REMARK 500 10 SER A 107     -127.12   -134.72                                   
REMARK 500 10 ASP A 109      -88.66     52.76                                   
REMARK 500 10 ILE A 113      113.93     -1.79                                   
REMARK 500 10 GLU A 121      -74.66    -40.65                                   
REMARK 500 10 ASN A 131      107.94    -58.71                                   
REMARK 500 10 LEU A 144      -76.63   -106.89                                   
REMARK 500 10 ILE A 151       55.48    -91.88                                   
REMARK 500 11 LYS A   9      -52.27   -143.47                                   
REMARK 500 11 ASP A  11      -54.66   -120.28                                   
REMARK 500 11 PRO A  13       33.54    -75.52                                   
REMARK 500 11 GLN A  22      -50.39   -157.24                                   
REMARK 500 11 LYS A  23      -61.33     70.99                                   
REMARK 500 11 SER A  25      -66.76    -20.24                                   
REMARK 500 11 LEU A  38     -150.43    -77.16                                   
REMARK 500 11 GLU A  40      138.10    -32.80                                   
REMARK 500 11 GLU A  49     -107.97    -71.13                                   
REMARK 500 11 GLU A  51     -105.89    -79.76                                   
REMARK 500 11 ASN A  53      -60.17    -98.16                                   
REMARK 500 11 THR A  54      -56.45   -159.09                                   
REMARK 500 11 ALA A  55      -43.82   -165.35                                   
REMARK 500 11 THR A  58        0.34   -153.99                                   
REMARK 500 11 SER A  59      -59.72   -172.33                                   
REMARK 500 11 PHE A  64      108.45    -45.18                                   
REMARK 500 11 LEU A  67      -68.07   -142.33                                   
REMARK 500 11 SER A  68       64.92   -154.12                                   
REMARK 500 11 ARG A  79      127.89    167.58                                   
REMARK 500 11 ASP A  83      111.74   -161.98                                   
REMARK 500 11 ASP A  90      -92.16    -74.19                                   
REMARK 500 11 SER A 107     -162.97    -76.80                                   
REMARK 500 11 ASP A 109     -129.49   -142.44                                   
REMARK 500 11 GLU A 121      -84.67    -67.01                                   
REMARK 500 11 THR A 137      -58.30   -139.11                                   
REMARK 500 11 LEU A 144      -70.65   -110.82                                   
REMARK 500 12 LYS A   9      -55.50   -143.70                                   
REMARK 500 12 PRO A  13       29.98    -76.37                                   
REMARK 500 12 GLN A  22       81.50   -157.71                                   
REMARK 500 12 SER A  25      -66.68    -19.49                                   
REMARK 500 12 GLU A  49     -129.01    -73.75                                   
REMARK 500 12 ALA A  55      -44.34   -173.92                                   
REMARK 500 12 CYS A  57       41.81    -87.02                                   
REMARK 500 12 SER A  59      172.93    166.58                                   
REMARK 500 12 ALA A  60     -112.29    134.94                                   
REMARK 500 12 LEU A  67      -67.25   -146.22                                   
REMARK 500 12 SER A  68       63.99   -153.39                                   
REMARK 500 12 VAL A  81       40.90    -80.08                                   
REMARK 500 12 ASP A  90      -80.93    -69.20                                   
REMARK 500 12 LYS A  91      -48.13   -157.39                                   
REMARK 500 12 ASP A 109     -120.91   -117.94                                   
REMARK 500 12 SER A 111      151.26    -48.14                                   
REMARK 500 12 ILE A 113      116.58    -32.01                                   
REMARK 500 12 LEU A 144      -77.93   -103.35                                   
REMARK 500 12 ILE A 151       59.25    -92.30                                   
REMARK 500 13 THR A   2       56.39   -163.58                                   
REMARK 500 13 LYS A   9      -56.52   -138.08                                   
REMARK 500 13 PRO A  13       40.92    -77.61                                   
REMARK 500 13 ASN A  26       38.03   -167.41                                   
REMARK 500 13 LEU A  38     -169.41    -67.00                                   
REMARK 500 13 GLU A  40      178.90    -56.23                                   
REMARK 500 13 GLU A  49       19.84    -68.26                                   
REMARK 500 13 ASP A  52      155.09    178.42                                   
REMARK 500 13 ASN A  53       34.99   -158.37                                   
REMARK 500 13 THR A  54       33.28    -74.59                                   
REMARK 500 13 ALA A  55      -50.39   -168.82                                   
REMARK 500 13 SER A  59      -51.13   -174.28                                   
REMARK 500 13 PHE A  64       80.09     53.32                                   
REMARK 500 13 LEU A  67      -67.40   -155.93                                   
REMARK 500 13 SER A  68       60.72   -151.99                                   
REMARK 500 13 ARG A  79      127.10    158.98                                   
REMARK 500 13 ASP A  90      -84.16    -82.07                                   
REMARK 500 13 LYS A  91      -53.19   -132.76                                   
REMARK 500 13 ASP A  92       30.12    -89.18                                   
REMARK 500 13 GLU A 100       71.54   -151.36                                   
REMARK 500 13 VAL A 103      -52.32   -141.56                                   
REMARK 500 13 GLU A 121      -83.21    -25.56                                   
REMARK 500 13 LYS A 128      -56.49   -157.55                                   
REMARK 500 13 ASN A 131     -108.67    175.66                                   
REMARK 500 13 GLU A 132      -39.61   -153.13                                   
REMARK 500 13 THR A 137      -50.33   -124.33                                   
REMARK 500 13 ILE A 151       57.42   -102.24                                   
REMARK 500 14 THR A   2      105.54   -165.42                                   
REMARK 500 14 LYS A   9      -54.72   -149.82                                   
REMARK 500 14 LYS A  23      -74.07    -44.94                                   
REMARK 500 14 ASN A  26       75.62   -102.97                                   
REMARK 500 14 GLU A  40      174.31    -59.94                                   
REMARK 500 14 GLU A  49       -9.35    -54.14                                   
REMARK 500 14 GLU A  50       89.97    -52.28                                   
REMARK 500 14 ASN A  53       44.57    -90.50                                   
REMARK 500 14 THR A  54       42.92    -81.62                                   
REMARK 500 14 ALA A  55      -54.87    177.12                                   
REMARK 500 14 CYS A  57       72.11   -151.75                                   
REMARK 500 14 THR A  58       71.67   -155.03                                   
REMARK 500 14 SER A  59      -41.40   -167.19                                   
REMARK 500 14 ALA A  60     -116.05    -92.10                                   
REMARK 500 14 PHE A  64       80.30     56.84                                   
REMARK 500 14 LEU A  67      -68.00   -154.28                                   
REMARK 500 14 SER A  68       96.00   -162.92                                   
REMARK 500 14 ARG A  79      141.70    172.36                                   
REMARK 500 14 ASP A  83      104.74   -163.30                                   
REMARK 500 14 ASP A  90      -90.17    -68.01                                   
REMARK 500 14 LYS A  91      -31.75   -156.22                                   
REMARK 500 14 ASP A 109     -124.87   -148.26                                   
REMARK 500 14 GLU A 121      -72.27    -44.87                                   
REMARK 500 14 THR A 137      -54.92   -128.95                                   
REMARK 500 14 LEU A 144      -74.74   -117.07                                   
REMARK 500 14 ILE A 151       59.76    -91.07                                   
REMARK 500 15 LYS A   9      -56.13   -149.39                                   
REMARK 500 15 PRO A  13       30.82    -76.86                                   
REMARK 500 15 LYS A  23      -74.95    -83.01                                   
REMARK 500 15 SER A  25        1.28    -66.43                                   
REMARK 500 15 ASN A  26       54.18   -140.19                                   
REMARK 500 15 GLU A  40      173.74    -59.34                                   
REMARK 500 15 GLU A  50       66.49     25.41                                   
REMARK 500 15 THR A  58       94.28    -29.47                                   
REMARK 500 15 SER A  59       16.49     51.78                                   
REMARK 500 15 ALA A  60     -118.33    -82.33                                   
REMARK 500 15 PRO A  62     -177.47    -65.03                                   
REMARK 500 15 LEU A  67      -64.74   -156.17                                   
REMARK 500 15 SER A  68       69.47   -153.81                                   
REMARK 500 15 ASP A  90      -92.06    -80.37                                   
REMARK 500 15 LYS A  91      -31.65   -176.07                                   
REMARK 500 15 ASP A 109     -127.04   -144.33                                   
REMARK 500 15 SER A 111      172.77    -58.83                                   
REMARK 500 15 GLU A 121      -84.51    -33.84                                   
REMARK 500 15 LEU A 126       -9.37     68.65                                   
REMARK 500 15 LYS A 128       38.78   -155.37                                   
REMARK 500 15 ASN A 131      109.22   -178.42                                   
REMARK 500 15 THR A 137      -52.83   -124.72                                   
REMARK 500 15 LEU A 144      -80.01   -110.51                                   
REMARK 500 15 ILE A 151       59.83    -90.33                                   
REMARK 500 16 LYS A   9      -50.17   -139.99                                   
REMARK 500 16 ASP A  11      -50.65   -125.14                                   
REMARK 500 16 PRO A  13       41.91    -77.23                                   
REMARK 500 16 GLU A  24     -144.94    -85.37                                   
REMARK 500 16 SER A  25       -1.87   -147.72                                   
REMARK 500 16 GLU A  40      172.44    -57.47                                   
REMARK 500 16 GLU A  50      103.53      0.10                                   
REMARK 500 16 GLU A  51     -177.82    -60.77                                   
REMARK 500 16 THR A  54      -52.25    179.50                                   
REMARK 500 16 ALA A  55      -65.16   -158.33                                   
REMARK 500 16 THR A  58       20.45   -159.92                                   
REMARK 500 16 SER A  59      -21.59   -169.00                                   
REMARK 500 16 PHE A  64      117.30    -39.70                                   
REMARK 500 16 LEU A  67      -66.72   -151.42                                   
REMARK 500 16 SER A  68       84.80   -154.39                                   
REMARK 500 16 ARG A  79      147.93    164.66                                   
REMARK 500 16 ASP A  90      -90.25    -71.25                                   
REMARK 500 16 LYS A  91      -34.79   -155.29                                   
REMARK 500 16 ASP A  92       40.05    -89.19                                   
REMARK 500 16 SER A 107      -63.44    -94.56                                   
REMARK 500 16 ASP A 109      -78.59     59.96                                   
REMARK 500 16 ILE A 113      127.51    -32.01                                   
REMARK 500 16 GLU A 121      -75.91    -44.05                                   
REMARK 500 16 ASN A 139       56.05     28.24                                   
REMARK 500 16 LEU A 144      -76.24   -111.13                                   
REMARK 500 16 ILE A 151       59.43    -93.76                                   
REMARK 500 17 VAL A   7       94.36    -68.58                                   
REMARK 500 17 LYS A   9      -60.01   -136.33                                   
REMARK 500 17 SER A  25        6.08    -57.76                                   
REMARK 500 17 ASN A  26       60.85   -153.44                                   
REMARK 500 17 GLU A  40      171.42    -56.20                                   
REMARK 500 17 ASN A  53      -25.26   -143.58                                   
REMARK 500 17 THR A  54     -167.18   -161.33                                   
REMARK 500 17 CYS A  57       56.31   -151.76                                   
REMARK 500 17 THR A  58       32.61   -148.78                                   
REMARK 500 17 SER A  59      -50.99   -170.06                                   
REMARK 500 17 PHE A  64      113.83    -31.92                                   
REMARK 500 17 LEU A  67      -71.95   -137.27                                   
REMARK 500 17 ARG A  79      127.01    151.87                                   
REMARK 500 17 ASP A  90      -90.31    -82.02                                   
REMARK 500 17 LYS A  91      -56.95   -129.30                                   
REMARK 500 17 SER A  98       61.04   -160.78                                   
REMARK 500 17 SER A 107      -64.73   -155.92                                   
REMARK 500 17 GLU A 121      -83.44    -29.59                                   
REMARK 500 17 LEU A 126       13.11     58.78                                   
REMARK 500 17 LYS A 128      -22.71   -142.03                                   
REMARK 500 17 SER A 134      -86.60    -58.21                                   
REMARK 500 17 THR A 137      -51.81   -134.08                                   
REMARK 500 17 ASN A 139       57.31      9.03                                   
REMARK 500 17 LEU A 144      -63.23   -108.84                                   
REMARK 500 18 LYS A   9      -54.45   -144.94                                   
REMARK 500 18 PRO A  13       46.38    -77.72                                   
REMARK 500 18 GLU A  24     -137.24    -86.76                                   
REMARK 500 18 SER A  25      -69.53   -129.61                                   
REMARK 500 18 ASN A  26       61.00   -109.68                                   
REMARK 500 18 GLU A  40      174.11    -58.92                                   
REMARK 500 18 GLU A  51     -152.25    -64.91                                   
REMARK 500 18 CYS A  57      109.61    -48.39                                   
REMARK 500 18 THR A  58     -117.57   -149.70                                   
REMARK 500 18 SER A  59      -73.34     69.97                                   
REMARK 500 18 PHE A  64      109.84    -35.42                                   
REMARK 500 18 LEU A  67      -64.38   -155.93                                   
REMARK 500 18 SER A  68       83.30   -154.23                                   
REMARK 500 18 ARG A  79      159.06    165.05                                   
REMARK 500 18 ASP A  90      -84.25    -70.39                                   
REMARK 500 18 LYS A  91      -47.30   -158.69                                   
REMARK 500 18 SER A 102       26.52   -147.84                                   
REMARK 500 18 VAL A 103      -52.07   -128.15                                   
REMARK 500 18 ASP A 109      -60.47   -162.80                                   
REMARK 500 18 SER A 111      156.48    -41.96                                   
REMARK 500 18 ILE A 113      123.14    -33.22                                   
REMARK 500 18 GLU A 121      -71.47    -57.72                                   
REMARK 500 18 LEU A 126       -6.21     66.48                                   
REMARK 500 18 ASN A 131      -83.23    -75.43                                   
REMARK 500 18 GLU A 132      -71.50    178.77                                   
REMARK 500 18 SER A 134      -70.47    -48.03                                   
REMARK 500 18 ASN A 139       54.12     30.51                                   
REMARK 500 18 LEU A 144      -78.48   -107.73                                   
REMARK 500 18 ILE A 151       57.97    -92.96                                   
REMARK 500 19 THR A   2       56.24   -165.89                                   
REMARK 500 19 LYS A   9      -47.92   -143.63                                   
REMARK 500 19 PRO A  13       37.46    -77.62                                   
REMARK 500 19 LYS A  23      -79.06   -105.50                                   
REMARK 500 19 GLU A  40      177.16    -59.69                                   
REMARK 500 19 GLU A  51       39.31    -88.53                                   
REMARK 500 19 ALA A  55      -63.80   -105.35                                   
REMARK 500 19 THR A  58      -13.81   -140.43                                   
REMARK 500 19 SER A  59       55.48   -179.80                                   
REMARK 500 19 PHE A  64      113.50    -37.19                                   
REMARK 500 19 LEU A  67      -79.71   -122.38                                   
REMARK 500 19 SER A  68       68.86   -150.80                                   
REMARK 500 19 ARG A  79      145.57    172.17                                   
REMARK 500 19 ASP A  90      -87.28    -78.39                                   
REMARK 500 19 LYS A  91      -43.07   -150.72                                   
REMARK 500 19 SER A 107       72.21   -119.02                                   
REMARK 500 19 ASP A 109      -76.75     56.49                                   
REMARK 500 19 LYS A 128      -82.36   -141.68                                   
REMARK 500 19 SER A 134      -70.68    -49.73                                   
REMARK 500 19 THR A 137      -54.73   -132.07                                   
REMARK 500 19 LEU A 144      -78.31   -110.75                                   
REMARK 500 19 ILE A 151       57.10   -101.99                                   
REMARK 500 20 LYS A   9      -49.68   -146.01                                   
REMARK 500 20 PRO A  13       33.48    -79.06                                   
REMARK 500 20 SER A  25       46.09    -76.02                                   
REMARK 500 20 ASN A  26       58.04    179.85                                   
REMARK 500 20 GLU A  40      175.69    -58.66                                   
REMARK 500 20 GLU A  49      -93.39    -28.62                                   
REMARK 500 20 GLU A  50       74.13   -171.69                                   
REMARK 500 20 ASN A  53       53.84   -173.00                                   
REMARK 500 20 ALA A  55      -65.33    175.14                                   
REMARK 500 20 SER A  59      152.86    119.82                                   
REMARK 500 20 ALA A  60       93.21     53.60                                   
REMARK 500 20 PHE A  64      109.63    -37.90                                   
REMARK 500 20 LEU A  67      -73.44   -155.24                                   
REMARK 500 20 ASP A  90      -83.47    -79.88                                   
REMARK 500 20 LYS A  91      -48.47   -151.29                                   
REMARK 500 20 SER A 107      -72.12   -145.40                                   
REMARK 500 20 ASP A 109     -101.77     55.10                                   
REMARK 500 20 GLU A 121      -81.30    -63.13                                   
REMARK 500 20 GLN A 133      -36.71    -37.07                                   
REMARK 500 20 ALA A 140        0.49    -67.28                                   
REMARK 500 20 LEU A 144      -88.28   -113.26                                   
REMARK 500 20 ILE A 151       56.57    -96.05                                   
REMARK 500 21 VAL A   7       98.67    -64.83                                   
REMARK 500 21 LYS A   9      -48.30   -143.72                                   
REMARK 500 21 PRO A  13       39.65    -77.14                                   
REMARK 500 21 SER A  25       79.78    -64.18                                   
REMARK 500 21 ASN A  26      -53.69   -162.72                                   
REMARK 500 21 SER A  34       66.94   -119.81                                   
REMARK 500 21 GLU A  40      171.33    -58.85                                   
REMARK 500 21 GLU A  50       78.25   -119.70                                   
REMARK 500 21 GLU A  51      -85.85    -80.93                                   
REMARK 500 21 ASN A  53      -60.05   -104.67                                   
REMARK 500 21 THR A  54      -46.40   -178.86                                   
REMARK 500 21 ALA A  55      -42.51   -179.18                                   
REMARK 500 21 THR A  58       -4.91   -152.70                                   
REMARK 500 21 SER A  59       40.92    173.15                                   
REMARK 500 21 PHE A  64      107.91    -33.93                                   
REMARK 500 21 LEU A  67      -60.56   -146.69                                   
REMARK 500 21 SER A  68       80.28   -151.38                                   
REMARK 500 21 ARG A  79      142.75    153.62                                   
REMARK 500 21 ASP A  90      -90.44    -74.26                                   
REMARK 500 21 LYS A  91      -35.44   -149.84                                   
REMARK 500 21 VAL A  97       55.22   -119.08                                   
REMARK 500 21 SER A 111      175.38    -50.32                                   
REMARK 500 21 LEU A 126       52.93     77.08                                   
REMARK 500 21 ASN A 131     -116.64    -75.46                                   
REMARK 500 21 GLU A 132      -40.30   -158.15                                   
REMARK 500 21 LEU A 144      -70.39   -111.02                                   
REMARK 500 22 LYS A   9      -60.16   -137.97                                   
REMARK 500 22 PRO A  13       41.91    -78.69                                   
REMARK 500 22 GLN A  15       81.57   -155.39                                   
REMARK 500 22 LEU A  38     -155.78    -74.31                                   
REMARK 500 22 GLU A  49      -81.95    -54.07                                   
REMARK 500 22 GLU A  50       76.66     11.25                                   
REMARK 500 22 THR A  58      -77.09   -149.73                                   
REMARK 500 22 SER A  59      -61.99     26.73                                   
REMARK 500 22 ALA A  60      142.49    -36.42                                   
REMARK 500 22 PRO A  62     -179.99    -63.61                                   
REMARK 500 22 HIS A  63      107.19    -47.07                                   
REMARK 500 22 PHE A  64      104.16    -34.27                                   
REMARK 500 22 LEU A  67      -75.40   -139.19                                   
REMARK 500 22 ARG A  79      146.10    168.95                                   
REMARK 500 22 ASP A  90      -78.96    -73.20                                   
REMARK 500 22 LYS A  91      -52.37   -152.95                                   
REMARK 500 22 ASP A 109     -113.18   -128.27                                   
REMARK 500 22 ILE A 113      108.87    -32.12                                   
REMARK 500 22 ILE A 151       58.01    -92.50                                   
REMARK 500 23 LYS A   9      -57.64   -145.81                                   
REMARK 500 23 PRO A  13       40.63    -77.21                                   
REMARK 500 23 GLN A  22      -62.37   -158.39                                   
REMARK 500 23 GLU A  40      174.20    -55.36                                   
REMARK 500 23 GLU A  49     -100.23    -41.55                                   
REMARK 500 23 ASP A  52       95.52   -174.64                                   
REMARK 500 23 ASN A  53      -57.29   -153.14                                   
REMARK 500 23 CYS A  57      138.80    179.98                                   
REMARK 500 23 THR A  58     -158.82   -158.19                                   
REMARK 500 23 HIS A  63       64.57    -52.57                                   
REMARK 500 23 LEU A  67      -64.57   -156.43                                   
REMARK 500 23 SER A  68       65.34   -158.94                                   
REMARK 500 23 ARG A  79      136.01    164.58                                   
REMARK 500 23 VAL A  81       45.00    -78.51                                   
REMARK 500 23 ASP A  90      -75.57    -73.98                                   
REMARK 500 23 LYS A  91      -43.80   -170.37                                   
REMARK 500 23 SER A 107     -150.25   -155.71                                   
REMARK 500 23 ASP A 109      -63.52   -160.56                                   
REMARK 500 23 ILE A 113      122.65    -37.80                                   
REMARK 500 23 GLU A 121      -72.06    -65.69                                   
REMARK 500 23 ALA A 123      173.76    -58.13                                   
REMARK 500 23 LEU A 126       14.36     54.69                                   
REMARK 500 23 GLN A 133      -46.13    -29.49                                   
REMARK 500 23 THR A 137      -53.81   -138.10                                   
REMARK 500 23 LEU A 144      -74.14   -102.51                                   
REMARK 500 23 ILE A 151       57.86    -95.40                                   
REMARK 500 24 VAL A   7       98.43    -67.64                                   
REMARK 500 24 LYS A   9      -52.12   -151.69                                   
REMARK 500 24 GLN A  22      -77.82   -157.22                                   
REMARK 500 24 GLU A  24     -103.48   -113.83                                   
REMARK 500 24 SER A  25      -69.97   -153.03                                   
REMARK 500 24 GLU A  50       71.54     39.12                                   
REMARK 500 24 GLU A  51      -77.44    -73.27                                   
REMARK 500 24 THR A  54       46.39    -78.67                                   
REMARK 500 24 ALA A  55      -45.89   -174.53                                   
REMARK 500 24 THR A  58       79.89    101.30                                   
REMARK 500 24 SER A  59       39.68    179.77                                   
REMARK 500 24 ALA A  60      -69.92   -162.11                                   
REMARK 500 24 LEU A  67      -68.74   -155.36                                   
REMARK 500 24 SER A  68       77.96   -155.99                                   
REMARK 500 24 ARG A  79      145.46    165.57                                   
REMARK 500 24 ASP A  83      114.94   -168.29                                   
REMARK 500 24 ASP A  90      -89.06    -79.47                                   
REMARK 500 24 LYS A  91      -57.67   -140.25                                   
REMARK 500 24 ASP A  92       30.39    -87.80                                   
REMARK 500 24 SER A  98       73.19   -153.02                                   
REMARK 500 24 VAL A 103      -55.86   -126.22                                   
REMARK 500 24 HIS A 110      -39.52   -158.00                                   
REMARK 500 24 ILE A 113      133.06    -36.91                                   
REMARK 500 24 GLU A 121      -76.93    -72.67                                   
REMARK 500 24 ASN A 131      -92.98    -90.76                                   
REMARK 500 24 GLU A 132      -81.52   -165.39                                   
REMARK 500 24 GLN A 133      -45.35    -29.09                                   
REMARK 500 24 THR A 137      -50.55   -128.08                                   
REMARK 500 24 LEU A 144      -76.30   -127.33                                   
REMARK 500 25 LYS A   9      -50.27   -149.12                                   
REMARK 500 25 ASP A  11      -55.59   -124.09                                   
REMARK 500 25 PRO A  13       27.14    -73.77                                   
REMARK 500 25 ASN A  26       78.22   -161.32                                   
REMARK 500 25 LEU A  38     -173.47    -69.83                                   
REMARK 500 25 THR A  39     -100.83    -85.29                                   
REMARK 500 25 GLU A  49       33.09    -70.61                                   
REMARK 500 25 GLU A  51      -82.60    -74.69                                   
REMARK 500 25 SER A  59      -37.40   -168.95                                   
REMARK 500 25 PHE A  64      105.41    -23.06                                   
REMARK 500 25 LEU A  67      -75.06   -135.49                                   
REMARK 500 25 SER A  68       81.06   -156.97                                   
REMARK 500 25 ASP A  90      -82.78    -68.25                                   
REMARK 500 25 LYS A  91      -46.55   -159.38                                   
REMARK 500 25 SER A  98       67.39   -159.98                                   
REMARK 500 25 SER A 107       69.67   -153.48                                   
REMARK 500 25 ASN A 131      109.29    -50.72                                   
REMARK 500 25 THR A 137      -55.25   -136.91                                   
REMARK 500 25 LEU A 144      -74.83   -122.39                                   
REMARK 500 25 ILE A 151       57.26    -91.80                                   
REMARK 500 26 LYS A   9      -52.68   -150.00                                   
REMARK 500 26 PRO A  13       36.78    -77.11                                   
REMARK 500 26 SER A  25      -66.85    -21.13                                   
REMARK 500 26 ASN A  26       54.55   -114.51                                   
REMARK 500 26 SER A  34       77.30   -102.22                                   
REMARK 500 26 GLU A  40      171.79    -56.89                                   
REMARK 500 26 GLU A  50       39.31   -141.62                                   
REMARK 500 26 GLU A  51       78.59    -58.74                                   
REMARK 500 26 THR A  54      -43.48   -142.08                                   
REMARK 500 26 THR A  58       73.62     71.55                                   
REMARK 500 26 SER A  59       33.99    177.85                                   
REMARK 500 26 ALA A  60     -148.04    179.09                                   
REMARK 500 26 LEU A  67      -74.54   -144.52                                   
REMARK 500 26 ARG A  79      150.20    173.28                                   
REMARK 500 26 VAL A  81       48.76    -79.61                                   
REMARK 500 26 ASP A  90      -87.83    -57.71                                   
REMARK 500 26 LYS A  91      -46.61   -173.34                                   
REMARK 500 26 SER A 107     -149.49    -81.16                                   
REMARK 500 26 ASP A 109     -109.07   -159.89                                   
REMARK 500 26 ILE A 113      129.87    -38.32                                   
REMARK 500 26 GLU A 121      -85.62    -34.47                                   
REMARK 500 26 LYS A 128       45.14   -145.50                                   
REMARK 500 26 THR A 137      -56.85   -138.23                                   
REMARK 500 26 LEU A 144      -83.28   -110.94                                   
REMARK 500 26 ILE A 151       58.23   -107.72                                   
REMARK 500 27 LYS A   9      -45.31   -153.97                                   
REMARK 500 27 LYS A  23      -73.78    -64.08                                   
REMARK 500 27 GLU A  24     -165.66    -79.85                                   
REMARK 500 27 ASN A  26       78.46   -160.73                                   
REMARK 500 27 GLU A  49       31.52    -72.31                                   
REMARK 500 27 ASN A  53       42.66   -163.32                                   
REMARK 500 27 THR A  54       57.45    -65.96                                   
REMARK 500 27 ALA A  55      -44.15   -170.46                                   
REMARK 500 27 SER A  59      -43.30   -170.80                                   
REMARK 500 27 LEU A  67      -77.25   -140.66                                   
REMARK 500 27 ARG A  79      143.15    161.04                                   
REMARK 500 27 ASP A  83      103.37   -168.14                                   
REMARK 500 27 ASP A  90      -75.28    -69.83                                   
REMARK 500 27 LYS A  91      -44.26   -153.94                                   
REMARK 500 27 GLU A 121      -76.86    -32.02                                   
REMARK 500 27 LEU A 126       46.05     82.20                                   
REMARK 500 27 LYS A 128      -16.37   -155.11                                   
REMARK 500 27 THR A 137      -51.97   -133.30                                   
REMARK 500 27 LEU A 144      -85.26   -114.84                                   
REMARK 500 27 ILE A 151       56.60    -98.28                                   
REMARK 500 28 THR A   2       82.35    -64.63                                   
REMARK 500 28 LYS A   9      -48.21   -148.68                                   
REMARK 500 28 GLU A  40      171.09    -57.91                                   
REMARK 500 28 ASN A  53       42.77   -145.05                                   
REMARK 500 28 THR A  58       81.10     70.67                                   
REMARK 500 28 SER A  59       30.98   -177.29                                   
REMARK 500 28 LEU A  67      -63.93   -156.21                                   
REMARK 500 28 SER A  68       81.45   -158.87                                   
REMARK 500 28 ARG A  79      143.80    166.04                                   
REMARK 500 28 ASP A  83       97.93   -165.67                                   
REMARK 500 28 ASP A  90      -90.89    -74.14                                   
REMARK 500 28 LYS A  91      -30.23   -157.48                                   
REMARK 500 28 VAL A 103      -52.00   -122.36                                   
REMARK 500 28 SER A 107     -160.22    -70.28                                   
REMARK 500 28 ASP A 109     -126.66   -147.62                                   
REMARK 500 28 SER A 111      151.86    -46.48                                   
REMARK 500 28 ILE A 113      117.94    -19.99                                   
REMARK 500 28 GLU A 121      -81.09    -40.81                                   
REMARK 500 28 THR A 137      -58.57   -139.54                                   
REMARK 500 28 LEU A 144      -82.04   -111.97                                   
REMARK 500 29 LYS A   9      -53.25   -139.42                                   
REMARK 500 29 ASP A  11      -65.89   -109.68                                   
REMARK 500 29 GLU A  49     -115.84    -70.56                                   
REMARK 500 29 GLU A  50       98.41     54.63                                   
REMARK 500 29 GLU A  51     -158.70    -84.95                                   
REMARK 500 29 ASN A  53      -32.10   -148.57                                   
REMARK 500 29 CYS A  57       96.79    -20.04                                   
REMARK 500 29 SER A  59       -6.45    172.03                                   
REMARK 500 29 HIS A  63       59.79    -66.27                                   
REMARK 500 29 LEU A  67      -76.63   -156.32                                   
REMARK 500 29 ARG A  79      148.08    170.28                                   
REMARK 500 29 ASP A  90      -92.14    -70.02                                   
REMARK 500 29 LYS A  91      -32.60   -175.28                                   
REMARK 500 29 ASP A  96       57.95   -102.00                                   
REMARK 500 29 ASP A 109      -96.01   -162.30                                   
REMARK 500 29 LYS A 128      -59.47   -138.70                                   
REMARK 500 29 THR A 137      -53.89   -129.49                                   
REMARK 500 29 LEU A 144      -72.92   -138.83                                   
REMARK 500 30 LYS A   9      -53.86   -154.98                                   
REMARK 500 30 ASN A  26       47.72   -144.29                                   
REMARK 500 30 GLU A  40      175.21    -59.01                                   
REMARK 500 30 GLU A  49       47.27    -71.73                                   
REMARK 500 30 GLU A  51      -70.28   -137.88                                   
REMARK 500 30 CYS A  57       31.06   -151.60                                   
REMARK 500 30 SER A  59      -38.91   -167.61                                   
REMARK 500 30 PHE A  64       93.53     -4.04                                   
REMARK 500 30 LEU A  67      -86.02   -129.41                                   
REMARK 500 30 ARG A  79      153.55    175.73                                   
REMARK 500 30 ASP A  83      115.93   -169.68                                   
REMARK 500 30 ASP A  90      -84.05    -69.19                                   
REMARK 500 30 LYS A  91      -46.33   -159.12                                   
REMARK 500 30 ASP A  92       32.98    -83.41                                   
REMARK 500 30 LEU A 106       42.52    -85.50                                   
REMARK 500 30 ASP A 109     -105.57   -166.54                                   
REMARK 500 30 SER A 111      156.92    -42.14                                   
REMARK 500 30 ASN A 131      109.63    -56.15                                   
REMARK 500 30 GLN A 133      -37.87    -35.36                                   
REMARK 500 30 THR A 137      -48.19   -136.20                                   
REMARK 500 30 LEU A 144      -89.66   -108.92                                   
REMARK 500 31 VAL A   7       98.71    -64.70                                   
REMARK 500 31 LYS A   9      -56.73   -152.76                                   
REMARK 500 31 ASP A  11      -62.03   -103.05                                   
REMARK 500 31 PRO A  13       38.60    -77.34                                   
REMARK 500 31 GLN A  22       86.97   -155.94                                   
REMARK 500 31 SER A  25        3.41    -54.57                                   
REMARK 500 31 ASN A  26       64.76   -159.04                                   
REMARK 500 31 THR A  54       39.61    -76.60                                   
REMARK 500 31 ALA A  55      -51.93   -171.96                                   
REMARK 500 31 CYS A  57       98.11    -69.32                                   
REMARK 500 31 THR A  58      -93.37    -38.19                                   
REMARK 500 31 SER A  59       69.58    141.53                                   
REMARK 500 31 PHE A  64      111.48    -21.89                                   
REMARK 500 31 LEU A  67      -70.37   -144.63                                   
REMARK 500 31 ARG A  79      161.01    172.68                                   
REMARK 500 31 ASP A  90      -90.11    -77.57                                   
REMARK 500 31 LYS A  91      -48.79   -139.22                                   
REMARK 500 31 VAL A  97       55.64   -116.21                                   
REMARK 500 31 SER A 107      -59.63   -151.08                                   
REMARK 500 31 GLU A 121      -74.71    -46.72                                   
REMARK 500 31 LEU A 126      -17.58     88.73                                   
REMARK 500 31 ASN A 131     -179.98   -176.68                                   
REMARK 500 31 GLU A 132      -82.26    -42.83                                   
REMARK 500 31 LEU A 144      -72.48   -110.32                                   
REMARK 500 31 ILE A 151       57.99    -99.75                                   
REMARK 500 32 VAL A   7       98.64    -66.09                                   
REMARK 500 32 LYS A   9      -48.07   -150.69                                   
REMARK 500 32 VAL A  14      151.61    -48.04                                   
REMARK 500 32 LYS A  23      -64.66    -93.79                                   
REMARK 500 32 GLU A  40      173.68    -59.55                                   
REMARK 500 32 GLU A  49       34.24    -71.45                                   
REMARK 500 32 GLU A  50       55.27    -91.30                                   
REMARK 500 32 ALA A  55      -50.14   -161.88                                   
REMARK 500 32 CYS A  57       64.76   -113.01                                   
REMARK 500 32 THR A  58       55.27   -144.14                                   
REMARK 500 32 SER A  59      -26.62   -159.71                                   
REMARK 500 32 PHE A  64      113.88    -30.73                                   
REMARK 500 32 LEU A  67      -69.72   -154.54                                   
REMARK 500 32 LEU A  84      -71.13    -79.24                                   
REMARK 500 32 ASP A  90      -88.15    -77.31                                   
REMARK 500 32 LYS A  91      -42.32   -146.08                                   
REMARK 500 32 SER A  98       61.73   -158.22                                   
REMARK 500 32 SER A 107      -76.99    -91.07                                   
REMARK 500 32 ASP A 109     -105.52   -162.53                                   
REMARK 500 32 GLN A 133      -44.96    -28.60                                   
REMARK 500 32 LEU A 144      -78.95   -113.90                                   
REMARK 500 32 ILE A 151       58.16    -94.45                                   
REMARK 500 33 THR A   2       56.06     70.37                                   
REMARK 500 33 VAL A   7       96.72    -67.67                                   
REMARK 500 33 LYS A   9      -62.12   -130.84                                   
REMARK 500 33 PRO A  13       35.14    -75.53                                   
REMARK 500 33 GLN A  22     -156.70   -153.96                                   
REMARK 500 33 ASN A  26       34.74   -156.08                                   
REMARK 500 33 GLU A  40     -180.00    -62.78                                   
REMARK 500 33 GLU A  49     -106.24    -70.92                                   
REMARK 500 33 ALA A  55      -57.51   -152.86                                   
REMARK 500 33 THR A  58       65.01    101.23                                   
REMARK 500 33 SER A  59       27.51   -164.85                                   
REMARK 500 33 HIS A  63       64.86    -65.86                                   
REMARK 500 33 PHE A  64       70.36     37.77                                   
REMARK 500 33 LEU A  67      -75.40   -141.71                                   
REMARK 500 33 SER A  68       58.34   -156.55                                   
REMARK 500 33 ARG A  79      133.45    165.24                                   
REMARK 500 33 VAL A  81       44.29    -77.54                                   
REMARK 500 33 ASP A  90      -79.77    -70.76                                   
REMARK 500 33 LYS A  91      -46.33   -148.65                                   
REMARK 500 33 SER A  98       58.75   -157.59                                   
REMARK 500 33 SER A 107      -74.72    -88.76                                   
REMARK 500 33 ASP A 109     -107.91     47.72                                   
REMARK 500 33 GLU A 121      -71.73    -58.80                                   
REMARK 500 33 LEU A 126       -9.68     73.34                                   
REMARK 500 33 LYS A 128      -20.98   -145.26                                   
REMARK 500 33 GLU A 132      -55.96    178.96                                   
REMARK 500 33 THR A 137      -48.34   -136.92                                   
REMARK 500 33 ASN A 139       61.77      3.37                                   
REMARK 500 33 LEU A 144      -64.88   -107.88                                   
REMARK 500 33 ILE A 151       55.62    -94.75                                   
REMARK 500 34 LYS A   9      -53.40   -150.92                                   
REMARK 500 34 ASP A  11      -52.45   -122.54                                   
REMARK 500 34 ASN A  26       53.55   -170.13                                   
REMARK 500 34 GLU A  49      -96.22    -69.02                                   
REMARK 500 34 GLU A  51      -95.93    -81.95                                   
REMARK 500 34 THR A  54      -51.09    179.85                                   
REMARK 500 34 ALA A  55      -58.12   -171.13                                   
REMARK 500 34 THR A  58       15.12   -160.08                                   
REMARK 500 34 SER A  59      -56.96   -172.82                                   
REMARK 500 34 HIS A  63       99.27    -67.74                                   
REMARK 500 34 PHE A  64      102.48     -9.52                                   
REMARK 500 34 LEU A  67      -70.97   -136.00                                   
REMARK 500 34 ARG A  79      127.27    152.21                                   
REMARK 500 34 ASP A  90      -92.83    -70.58                                   
REMARK 500 34 LYS A  91      -26.71   -177.21                                   
REMARK 500 34 ASP A  96       58.49   -102.81                                   
REMARK 500 34 ASP A 109      -60.50    -29.03                                   
REMARK 500 34 SER A 111      173.47    -47.36                                   
REMARK 500 34 GLU A 121      -90.39    -34.18                                   
REMARK 500 34 LEU A 126       -1.93     76.16                                   
REMARK 500 34 ASN A 131       98.63    -53.24                                   
REMARK 500 34 GLN A 133      -37.95    -37.88                                   
REMARK 500 34 SER A 134      -77.07    -50.72                                   
REMARK 500 34 THR A 137      -54.93   -129.72                                   
REMARK 500 34 LEU A 144      -76.57   -111.01                                   
REMARK 500 35 LYS A   9      -52.02   -149.34                                   
REMARK 500 35 SER A  25       55.14    -69.20                                   
REMARK 500 35 ASN A  26     -153.88    179.40                                   
REMARK 500 35 LEU A  38     -157.63    -77.62                                   
REMARK 500 35 GLU A  50       94.87    -50.99                                   
REMARK 500 35 ASN A  53      -63.74   -138.78                                   
REMARK 500 35 THR A  54      -51.70   -174.61                                   
REMARK 500 35 SER A  59       51.28    174.29                                   
REMARK 500 35 PHE A  64       72.69     53.60                                   
REMARK 500 35 LEU A  67      -65.34   -136.72                                   
REMARK 500 35 SER A  68      100.45   -163.22                                   
REMARK 500 35 ARG A  79      145.37    174.05                                   
REMARK 500 35 ASP A  90      -88.47    -82.15                                   
REMARK 500 35 LYS A  91      -51.18   -137.54                                   
REMARK 500 35 GLU A 121      -83.37    -33.01                                   
REMARK 500 35 LYS A 128      -51.76   -142.82                                   
REMARK 500 35 GLU A 132      -64.34    -19.31                                   
REMARK 500 35 THR A 137      -53.89   -137.45                                   
REMARK 500 35 LEU A 144      -77.41   -115.49                                   
REMARK 500 35 ILE A 151       57.04    -92.63                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 THR A   58     SER A   59          1      -126.12                    
REMARK 500 THR A   58     SER A   59          2      -115.75                    
REMARK 500 ILE A   99     GLU A  100          2       145.91                    
REMARK 500 LEU A   38     THR A   39          3       149.73                    
REMARK 500 THR A   58     SER A   59          3       105.09                    
REMARK 500 ASP A   83     LEU A   84          3       147.03                    
REMARK 500 ALA A  152     GLN A  153          3       141.55                    
REMARK 500 THR A   58     SER A   59          4      -141.24                    
REMARK 500 THR A   58     SER A   59          5      -119.01                    
REMARK 500 THR A   58     SER A   59          6      -121.75                    
REMARK 500 THR A   58     SER A   59          7      -142.53                    
REMARK 500 GLY A   82     ASP A   83          7       143.98                    
REMARK 500 ASP A   96     VAL A   97          7       145.46                    
REMARK 500 THR A   58     SER A   59          8      -110.98                    
REMARK 500 ARG A   79     HIS A   80          8       147.07                    
REMARK 500 CYS A   57     THR A   58          9      -142.64                    
REMARK 500 THR A   58     SER A   59          9      -143.07                    
REMARK 500 GLY A   82     ASP A   83          9       146.64                    
REMARK 500 THR A   58     SER A   59         10      -117.95                    
REMARK 500 ARG A   79     HIS A   80         10       145.85                    
REMARK 500 VAL A   94     ALA A   95         10       149.18                    
REMARK 500 ASP A   96     VAL A   97         10      -148.31                    
REMARK 500 THR A   58     SER A   59         11      -123.62                    
REMARK 500 THR A   58     SER A   59         12      -133.26                    
REMARK 500 ALA A  152     GLN A  153         12       144.60                    
REMARK 500 LEU A   38     THR A   39         13       146.18                    
REMARK 500 THR A   58     SER A   59         13      -146.71                    
REMARK 500 THR A   58     SER A   59         14      -136.01                    
REMARK 500 ALA A  152     GLN A  153         14       139.82                    
REMARK 500 THR A   58     SER A   59         15        82.27                    
REMARK 500 LYS A   75     ASP A   76         15      -145.10                    
REMARK 500 GLY A   82     ASP A   83         15       149.78                    
REMARK 500 ALA A  152     GLN A  153         15       129.61                    
REMARK 500 THR A   58     SER A   59         16      -128.00                    
REMARK 500 ALA A  152     GLN A  153         16       142.32                    
REMARK 500 ASP A   11     GLY A   12         17       148.94                    
REMARK 500 THR A   58     SER A   59         17      -144.02                    
REMARK 500 ILE A   99     GLU A  100         17       149.31                    
REMARK 500 ILE A   35     LYS A   36         18       149.63                    
REMARK 500 THR A   58     SER A   59         18       139.99                    
REMARK 500 THR A   58     SER A   59         19      -115.65                    
REMARK 500 ASP A   83     LEU A   84         19       141.53                    
REMARK 500 THR A   58     SER A   59         20      -101.64                    
REMARK 500 THR A   58     SER A   59         21      -115.43                    
REMARK 500 THR A   58     SER A   59         22       143.46                    
REMARK 500 THR A   58     SER A   59         23       143.36                    
REMARK 500 THR A   58     SER A   59         24      -137.87                    
REMARK 500 THR A   58     SER A   59         25      -141.66                    
REMARK 500 THR A   58     SER A   59         26      -137.38                    
REMARK 500 VAL A    5     ALA A    6         27       148.98                    
REMARK 500 PHE A   20     GLU A   21         27       148.77                    
REMARK 500 THR A   58     SER A   59         27      -144.35                    
REMARK 500 THR A   58     SER A   59         28      -134.62                    
REMARK 500 THR A   58     SER A   59         29      -117.73                    
REMARK 500 SER A   59     ALA A   60         29      -145.79                    
REMARK 500 ALA A  152     GLN A  153         29       143.82                    
REMARK 500 CYS A   57     THR A   58         30      -138.88                    
REMARK 500 THR A   58     SER A   59         30      -143.17                    
REMARK 500 THR A   58     SER A   59         31      -113.63                    
REMARK 500 GLY A   82     ASP A   83         31       147.68                    
REMARK 500 ASP A   83     LEU A   84         31       148.46                    
REMARK 500 THR A   58     SER A   59         32      -131.39                    
REMARK 500 LEU A   38     THR A   39         33       149.02                    
REMARK 500 THR A   58     SER A   59         33      -134.06                    
REMARK 500 ALA A  152     GLN A  153         33       146.84                    
REMARK 500 THR A   58     SER A   59         34      -127.89                    
REMARK 500 SER A   68     ARG A   69         34       146.67                    
REMARK 500 LYS A   91     ASP A   92         34       148.60                    
REMARK 500 HIS A  110     SER A  111         34       149.43                    
REMARK 500 THR A   58     SER A   59         35      -120.40                    
REMARK 500 GLY A  114     ARG A  115         35       149.81                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500  1 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500  1 HIS A  80         0.12    SIDE_CHAIN                              
REMARK 500  1 ARG A 115         0.12    SIDE_CHAIN                              
REMARK 500  2 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500  2 HIS A  80         0.10    SIDE_CHAIN                              
REMARK 500  3 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500  3 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500  3 ARG A 115         0.09    SIDE_CHAIN                              
REMARK 500  4 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500  4 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500  4 ARG A 115         0.08    SIDE_CHAIN                              
REMARK 500  5 ARG A  79         0.12    SIDE_CHAIN                              
REMARK 500  5 HIS A  80         0.10    SIDE_CHAIN                              
REMARK 500  5 ARG A 115         0.12    SIDE_CHAIN                              
REMARK 500  6 PHE A  20         0.10    SIDE_CHAIN                              
REMARK 500  6 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500  6 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500  7 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500  8 ARG A  69         0.07    SIDE_CHAIN                              
REMARK 500  8 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500  9 PHE A  20         0.10    SIDE_CHAIN                              
REMARK 500  9 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500  9 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500  9 ARG A 143         0.08    SIDE_CHAIN                              
REMARK 500 10 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 10 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500 10 ARG A 115         0.10    SIDE_CHAIN                              
REMARK 500 11 HIS A  43         0.10    SIDE_CHAIN                              
REMARK 500 11 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 11 ARG A 143         0.08    SIDE_CHAIN                              
REMARK 500 12 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 12 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500 13 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500 14 PHE A  20         0.09    SIDE_CHAIN                              
REMARK 500 14 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 14 HIS A  80         0.15    SIDE_CHAIN                              
REMARK 500 15 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500 15 ARG A  69         0.12    SIDE_CHAIN                              
REMARK 500 15 ARG A  79         0.20    SIDE_CHAIN                              
REMARK 500 15 HIS A  80         0.12    SIDE_CHAIN                              
REMARK 500 15 ARG A 115         0.12    SIDE_CHAIN                              
REMARK 500 16 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 16 HIS A  80         0.15    SIDE_CHAIN                              
REMARK 500 16 ARG A 115         0.10    SIDE_CHAIN                              
REMARK 500 17 PHE A  20         0.09    SIDE_CHAIN                              
REMARK 500 17 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 17 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500 18 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500 18 ARG A  69         0.08    SIDE_CHAIN                              
REMARK 500 18 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500 18 ARG A 115         0.10    SIDE_CHAIN                              
REMARK 500 19 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500 19 HIS A  80         0.17    SIDE_CHAIN                              
REMARK 500 19 ARG A 115         0.07    SIDE_CHAIN                              
REMARK 500 20 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 20 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500 20 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500 21 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 21 HIS A  80         0.12    SIDE_CHAIN                              
REMARK 500 22 HIS A  43         0.10    SIDE_CHAIN                              
REMARK 500 22 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 22 ARG A 115         0.11    SIDE_CHAIN                              
REMARK 500 23 HIS A  71         0.07    SIDE_CHAIN                              
REMARK 500 23 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500 23 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 23 ARG A 115         0.10    SIDE_CHAIN                              
REMARK 500 24 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 25 PHE A  20         0.10    SIDE_CHAIN                              
REMARK 500 25 HIS A  80         0.13    SIDE_CHAIN                              
REMARK 500 26 HIS A  80         0.10    SIDE_CHAIN                              
REMARK 500 27 PHE A  20         0.08    SIDE_CHAIN                              
REMARK 500 27 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500 27 ARG A  79         0.08    SIDE_CHAIN                              
REMARK 500 27 HIS A  80         0.10    SIDE_CHAIN                              
REMARK 500 27 ARG A 115         0.13    SIDE_CHAIN                              
REMARK 500 28 PHE A  20         0.09    SIDE_CHAIN                              
REMARK 500 28 HIS A  43         0.10    SIDE_CHAIN                              
REMARK 500 28 HIS A  80         0.09    SIDE_CHAIN                              
REMARK 500 28 ARG A 115         0.10    SIDE_CHAIN                              
REMARK 500 29 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 30 PHE A  20         0.18    SIDE_CHAIN                              
REMARK 500 30 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 30 HIS A  80         0.09    SIDE_CHAIN                              
REMARK 500 30 ARG A 143         0.10    SIDE_CHAIN                              
REMARK 500 31 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 31 HIS A  80         0.14    SIDE_CHAIN                              
REMARK 500 32 HIS A  43         0.10    SIDE_CHAIN                              
REMARK 500 32 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500 32 HIS A  80         0.12    SIDE_CHAIN                              
REMARK 500 32 ARG A 143         0.08    SIDE_CHAIN                              
REMARK 500 33 HIS A  43         0.08    SIDE_CHAIN                              
REMARK 500 33 HIS A  80         0.10    SIDE_CHAIN                              
REMARK 500 34 PHE A  20         0.12    SIDE_CHAIN                              
REMARK 500 34 HIS A  80         0.11    SIDE_CHAIN                              
REMARK 500 35 HIS A  43         0.09    SIDE_CHAIN                              
REMARK 500 35 ARG A  79         0.08    SIDE_CHAIN                              
REMARK 500 35 HIS A  80         0.15    SIDE_CHAIN                              
REMARK 500 35 ARG A 143         0.12    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  ZN A 154  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A  83   OD2                                                    
REMARK 620 2 HIS A  80   ND1  91.0                                              
REMARK 620 3 HIS A  71   ND1 111.3 121.5                                        
REMARK 620 4 HIS A  63   ND1  82.0 119.6 116.8                                  
REMARK 620 5 THR A 137   O   158.4  88.1  87.4  79.7                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 154                  
DBREF  1KMG A    1   153  UNP    P00441   SODC_HUMAN       1    153             
SEQADV 1KMG ALA A    6  UNP  P00441    CYS     6 ENGINEERED                     
SEQADV 1KMG GLU A   50  UNP  P00441    PHE    50 ENGINEERED                     
SEQADV 1KMG GLU A   51  UNP  P00441    GLY    51 ENGINEERED                     
SEQADV 1KMG SER A  111  UNP  P00441    CYS   111 ENGINEERED                     
SEQADV 1KMG GLN A  133  UNP  P00441    GLU   133 ENGINEERED                     
SEQRES   1 A  153  ALA THR LYS ALA VAL ALA VAL LEU LYS GLY ASP GLY PRO          
SEQRES   2 A  153  VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER ASN          
SEQRES   3 A  153  GLY PRO VAL LYS VAL TRP GLY SER ILE LYS GLY LEU THR          
SEQRES   4 A  153  GLU GLY LEU HIS GLY PHE HIS VAL HIS GLU GLU GLU ASP          
SEQRES   5 A  153  ASN THR ALA GLY CYS THR SER ALA GLY PRO HIS PHE ASN          
SEQRES   6 A  153  PRO LEU SER ARG LYS HIS GLY GLY PRO LYS ASP GLU GLU          
SEQRES   7 A  153  ARG HIS VAL GLY ASP LEU GLY ASN VAL THR ALA ASP LYS          
SEQRES   8 A  153  ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL ILE          
SEQRES   9 A  153  SER LEU SER GLY ASP HIS SER ILE ILE GLY ARG THR LEU          
SEQRES  10 A  153  VAL VAL HIS GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY          
SEQRES  11 A  153  ASN GLU GLN SER THR LYS THR GLY ASN ALA GLY SER ARG          
SEQRES  12 A  153  LEU ALA CYS GLY VAL ILE GLY ILE ALA GLN                      
HET     ZN  A 154       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    ZN 2+                                                        
HELIX    1   1 GLU A  132  THR A  137  1                                   6    
SHEET    1   A 3 ALA A   4  LEU A   8  0                                        
SHEET    2   A 3 GLY A  16  GLU A  21 -1  O  PHE A  20   N  ALA A   4           
SHEET    3   A 3 LYS A  30  GLY A  33 -1  O  TRP A  32   N  ASN A  19           
SHEET    1   B 4 ASP A  83  ALA A  89  0                                        
SHEET    2   B 4 GLY A  41  HIS A  48 -1  N  PHE A  45   O  GLY A  85           
SHEET    3   B 4 THR A 116  HIS A 120 -1  O  VAL A 118   N  HIS A  46           
SHEET    4   B 4 ARG A 143  VAL A 148 -1  O  ALA A 145   N  VAL A 119           
SSBOND   1 CYS A   57    CYS A  146                          1555   1555  2.09  
LINK        ZN    ZN A 154                 OD2 ASP A  83     1555   1555  1.90  
LINK        ZN    ZN A 154                 ND1 HIS A  80     1555   1555  2.19  
LINK        ZN    ZN A 154                 ND1 HIS A  71     1555   1555  2.06  
LINK        ZN    ZN A 154                 ND1 HIS A  63     1555   1555  2.23  
LINK        ZN    ZN A 154                 O   THR A 137     1555   1555  1.88  
SITE     1 AC1  5 HIS A  63  HIS A  71  HIS A  80  ASP A  83                    
SITE     2 AC1  5 THR A 137                                                     
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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