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Database: PDB
Entry: 2AF2
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HEADER    OXIDOREDUCTASE                          25-JUL-05   2AF2              
TITLE     SOLUTION STRUCTURE OF DISULFIDE REDUCED AND COPPER DEPLETED           
TITLE    2 HUMAN SUPEROXIDE DISMUTASE                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN];                              
COMPND   3 CHAIN: A, B;                                                         
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: TOPP1;                                     
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PBR322                                    
KEYWDS    HUMAN SUPEROXIDE DISMUTASE, SOLUTION STRUCTURE, NMR,                  
KEYWDS   2 HOMODIMERIC PROTEIN, DISULFIDE BOND REDUCED, COPPER                  
KEYWDS   3 DEPLETED PROTEIN, STRUCTURAL GENOMICS, STRUCTURAL                    
KEYWDS   4 PROTEOMICS IN EUROPE, SPINE, OXIDOREDUCTASE                          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    30                                                                    
AUTHOR    L.BANCI,I.BERTINI,F.CANTINI,N.D'AMELIO,E.GAGGELLI,                    
AUTHOR   2 STRUCTURAL PROTEOMICS IN EUROPE (SPINE)                              
REVDAT   3   24-FEB-09 2AF2    1       VERSN                                    
REVDAT   2   28-NOV-06 2AF2    1       KEYWDS REMARK JRNL                       
REVDAT   1   15-NOV-05 2AF2    0                                                
JRNL        AUTH   L.BANCI,I.BERTINI,F.CANTINI,N.D'AMELIO,E.GAGGELLI            
JRNL        TITL   HUMAN SOD1 BEFORE HARBORING THE CATALYTIC METAL:             
JRNL        TITL 2 SOLUTION STRUCTURE OF COPPER-DEPLETED,                       
JRNL        TITL 3 DISULFIDE-REDUCED FORM                                       
JRNL        REF    J.BIOL.CHEM.                  V. 281  2333 2006              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   16291742                                                     
JRNL        DOI    10.1074/JBC.M506497200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 8                                              
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                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2AF2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-AUG-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB033817.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5                                  
REMARK 210  IONIC STRENGTH                 : 20MM SODIUM PHOSPHATE              
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 1.5MM 15N PROTEIN SAMPLE; 1MM      
REMARK 210                                   15N;13C PROTEIN SAMPLE; 1MM        
REMARK 210                                   15N;13C;2H PROTEIN SAMPLE. THE     
REMARK 210                                   TRIPLE LABELED DIMERIC SOD         
REMARK 210                                   CONTAINED ABOUT 70% 2H             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, HNHA, 3D_15N-            
REMARK 210                                   SEPARATED_NOESY, 3D_13C-           
REMARK 210                                   SEPARATED_NOESY, H(C)CH_TOCSY,     
REMARK 210                                   (H)CCH_TOCSY, TROSY-HNCACB,        
REMARK 210                                   TROSY_HN(CO)CA, TROSY_HNCO,        
REMARK 210                                   TROSY_HN(CA)CO                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 700 MHZ, 800 MHZ,         
REMARK 210                                   900 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR, NEASY, CYANA 1.03         
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   SUMULATED ANNEALING,               
REMARK 210                                   RESTRAINED ENERGY MINIMIZATION     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 600                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 30                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THE REDUCTION OF DISULFIDE BRIDGE WAS ACCOMPLISHED BY        
REMARK 210  ADDITION OF DITHIOTHREITOL (DTT)                                    
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  1 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   4.5 DEGREES          
REMARK 500  1 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  2 ARG A 143   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  2 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  3 ARG A 143   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  3 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  4 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   4.6 DEGREES          
REMARK 500  4 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  4 ARG B 143   NE  -  CZ  -  NH1 ANGL. DEV. =   4.7 DEGREES          
REMARK 500  5 VAL B   5   CG1 -  CB  -  CG2 ANGL. DEV. =  10.0 DEGREES          
REMARK 500  5 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  5 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.0 DEGREES          
REMARK 500  6 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  6 ARG B  69   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500  7 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  7 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  7 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   4.6 DEGREES          
REMARK 500  7 ARG B 115   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500  8 ARG A 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  8 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  8 ARG B 143   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  9 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500  9 ARG A 143   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  9 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  9 ARG B 143   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500 10 ARG A  69   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 10 ARG A 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 10 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 11 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500 11 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.0 DEGREES          
REMARK 500 11 ARG B 115   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.2 DEGREES          
REMARK 500 12 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500 12 ARG B 143   NE  -  CZ  -  NH1 ANGL. DEV. =   4.4 DEGREES          
REMARK 500 13 ARG A  69   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500 13 VAL B   5   CG1 -  CB  -  CG2 ANGL. DEV. =  11.7 DEGREES          
REMARK 500 13 ARG B  69   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 13 ARG B  69   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500 13 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500 14 ARG A  69   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 14 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 14 VAL B 119   CA  -  CB  -  CG1 ANGL. DEV. =   9.4 DEGREES          
REMARK 500 15 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 15 ARG B  69   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500 16 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 17 ARG A 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 17 VAL B  47   CA  -  CB  -  CG2 ANGL. DEV. =   9.1 DEGREES          
REMARK 500 17 ARG B  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500 17 ARG B 115   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500 18 ARG A  69   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 18 ARG A  79   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      91 ANGLE DEVIATIONS.                             
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 GLU A  24     -106.76   -128.68                                   
REMARK 500  1 SER A  25      -10.37   -152.96                                   
REMARK 500  1 PHE A  50     -176.91     67.83                                   
REMARK 500  1 ASN A  53       42.62   -156.12                                   
REMARK 500  1 THR A  58       39.44    -80.17                                   
REMARK 500  1 SER A  59     -116.16   -148.29                                   
REMARK 500  1 ALA A  60      109.98    -56.59                                   
REMARK 500  1 PHE A  64      131.77    -26.03                                   
REMARK 500  1 ASN A  65       52.69   -106.15                                   
REMARK 500  1 SER A  68       58.87     70.57                                   
REMARK 500  1 LYS A  75      -31.48   -149.98                                   
REMARK 500  1 ARG A  79      119.75     58.17                                   
REMARK 500  1 LEU A  84       59.56   -110.92                                   
REMARK 500  1 HIS A 110       -9.77   -141.78                                   
REMARK 500  1 SER A 111      -87.85    -90.22                                   
REMARK 500  1 LEU A 126       53.48     71.74                                   
REMARK 500  1 LEU A 144      -94.72   -104.04                                   
REMARK 500  1 VAL B   5       88.07   -161.63                                   
REMARK 500  1 PHE B  50      168.36     72.00                                   
REMARK 500  1 ASN B  53       34.48   -159.23                                   
REMARK 500  1 THR B  54      -72.31    -71.16                                   
REMARK 500  1 SER B  59       67.99   -107.96                                   
REMARK 500  1 ALA B  60      139.95     79.54                                   
REMARK 500  1 ASN B  65       66.77   -111.05                                   
REMARK 500  1 SER B  68       47.02     71.22                                   
REMARK 500  1 PRO B  74        7.50    -68.19                                   
REMARK 500  1 LYS B  75        6.57   -154.35                                   
REMARK 500  1 GLU B  78      -95.81    -83.86                                   
REMARK 500  1 ARG B  79      115.98     68.49                                   
REMARK 500  1 LYS B  91        1.25    -63.22                                   
REMARK 500  1 SER B  98       51.40   -158.77                                   
REMARK 500  1 SER B 102       53.65   -118.55                                   
REMARK 500  1 VAL B 103      -35.04   -155.43                                   
REMARK 500  1 ILE B 112      -39.96    178.51                                   
REMARK 500  1 LEU B 126       70.35     54.09                                   
REMARK 500  1 LYS B 136      -77.18   -104.16                                   
REMARK 500  1 THR B 137      -85.92    -79.20                                   
REMARK 500  1 ASN B 139       17.46     56.98                                   
REMARK 500  1 ALA B 140        6.37    -55.96                                   
REMARK 500  1 LEU B 144     -154.02   -166.45                                   
REMARK 500  2 GLU A  40       78.65    -55.49                                   
REMARK 500  2 ASN A  53     -105.29   -165.14                                   
REMARK 500  2 THR A  54      -31.47     65.32                                   
REMARK 500  2 GLU A  78      -99.48    -99.64                                   
REMARK 500  2 ARG A  79      129.61     97.84                                   
REMARK 500  2 SER A  98       78.20   -156.85                                   
REMARK 500  2 SER A 102       52.14   -105.58                                   
REMARK 500  2 VAL A 103       16.70   -149.19                                   
REMARK 500  2 SER A 107        7.18   -150.12                                   
REMARK 500  2 SER A 111      -99.06   -163.96                                   
REMARK 500  2 ILE A 113      135.89     94.76                                   
REMARK 500  2 ASN A 131     -148.11   -130.33                                   
REMARK 500  2 THR A 137       -4.15   -150.35                                   
REMARK 500  2 ASN A 139       11.91     57.16                                   
REMARK 500  2 ALA A 140       13.75    -63.33                                   
REMARK 500  2 SER A 142     -157.79   -167.87                                   
REMARK 500  2 LEU A 144     -117.67   -137.61                                   
REMARK 500  2 LYS B  23      -73.32   -110.04                                   
REMARK 500  2 ASN B  26       27.60   -154.65                                   
REMARK 500  2 GLU B  40     -162.38    175.01                                   
REMARK 500  2 PHE B  50      169.15     86.97                                   
REMARK 500  2 ASN B  53      -13.71   -161.01                                   
REMARK 500  2 PRO B  74       23.55    -75.79                                   
REMARK 500  2 LYS B  75       -7.27   -165.97                                   
REMARK 500  2 GLU B  78      -73.74    -88.81                                   
REMARK 500  2 ARG B  79      137.87     66.12                                   
REMARK 500  2 SER B  98       59.40   -158.48                                   
REMARK 500  2 SER B 102       53.93    -93.08                                   
REMARK 500  2 SER B 111      -70.83   -158.17                                   
REMARK 500  2 ILE B 113      116.57     83.27                                   
REMARK 500  2 LEU B 126       63.58     88.93                                   
REMARK 500  2 LYS B 128       37.15   -158.25                                   
REMARK 500  2 THR B 137     -117.18   -119.90                                   
REMARK 500  2 ALA B 140       18.43    -60.22                                   
REMARK 500  2 LEU B 144     -173.10   -176.58                                   
REMARK 500  3 GLU A  40       78.65    -55.49                                   
REMARK 500  3 ASN A  53     -105.29   -165.14                                   
REMARK 500  3 THR A  54      -31.47     65.32                                   
REMARK 500  3 GLU A  78      -99.48    -99.64                                   
REMARK 500  3 ARG A  79      129.61     97.84                                   
REMARK 500  3 SER A  98       78.20   -156.85                                   
REMARK 500  3 SER A 102       52.14   -105.58                                   
REMARK 500  3 VAL A 103       16.70   -149.19                                   
REMARK 500  3 SER A 107        7.18   -150.12                                   
REMARK 500  3 SER A 111      -99.06   -163.96                                   
REMARK 500  3 ILE A 113      135.89     94.76                                   
REMARK 500  3 ASN A 131     -148.11   -130.33                                   
REMARK 500  3 THR A 137       -4.15   -150.35                                   
REMARK 500  3 ASN A 139       11.91     57.16                                   
REMARK 500  3 ALA A 140       13.75    -63.33                                   
REMARK 500  3 SER A 142     -157.79   -167.87                                   
REMARK 500  3 LEU A 144     -117.67   -137.61                                   
REMARK 500  3 LYS B  23      -73.32   -110.04                                   
REMARK 500  3 ASN B  26       27.60   -154.65                                   
REMARK 500  3 GLU B  40     -162.38    175.01                                   
REMARK 500  3 PHE B  50      169.15     86.97                                   
REMARK 500  3 ASN B  53      -13.71   -161.01                                   
REMARK 500  3 PRO B  74       23.55    -75.79                                   
REMARK 500  3 LYS B  75       -7.27   -165.97                                   
REMARK 500  3 GLU B  78      -73.74    -88.81                                   
REMARK 500  3 ARG B  79      137.87     66.12                                   
REMARK 500  3 SER B  98       59.40   -158.48                                   
REMARK 500  3 SER B 102       53.93    -93.08                                   
REMARK 500  3 SER B 111      -70.83   -158.17                                   
REMARK 500  3 ILE B 113      116.57     83.27                                   
REMARK 500  3 LEU B 126       63.58     88.93                                   
REMARK 500  3 LYS B 128       37.15   -158.25                                   
REMARK 500  3 THR B 137     -117.18   -119.90                                   
REMARK 500  3 ALA B 140       18.43    -60.22                                   
REMARK 500  3 LEU B 144     -173.10   -176.58                                   
REMARK 500  4 PHE A  50      142.35     94.60                                   
REMARK 500  4 ASP A  52       47.67    -88.44                                   
REMARK 500  4 ASN A  53       42.39   -171.91                                   
REMARK 500  4 THR A  54       43.78    -69.32                                   
REMARK 500  4 CYS A  57       -9.36    -53.32                                   
REMARK 500  4 SER A  59      -40.51   -156.74                                   
REMARK 500  4 PRO A  62      176.21    -56.48                                   
REMARK 500  4 PHE A  64      113.07    -28.25                                   
REMARK 500  4 ASN A  65       50.59   -111.61                                   
REMARK 500  4 LYS A  75      -22.02   -167.73                                   
REMARK 500  4 GLU A  78      -99.65    -77.40                                   
REMARK 500  4 ARG A  79      114.21     94.20                                   
REMARK 500  4 LEU A  84       53.63   -113.89                                   
REMARK 500  4 SER A 102       51.38   -116.94                                   
REMARK 500  4 ASP A 109      -89.26   -134.88                                   
REMARK 500  4 SER A 111     -141.70   -119.41                                   
REMARK 500  4 LEU A 126       60.32     63.35                                   
REMARK 500  4 ASN A 131     -103.97   -148.03                                   
REMARK 500  4 GLU A 132      -51.90   -163.22                                   
REMARK 500  4 ASN A 139      -44.10     79.26                                   
REMARK 500  4 ALA A 140       11.77     56.62                                   
REMARK 500  4 SER A 142     -156.59   -173.88                                   
REMARK 500  4 ARG A 143     -166.22   -117.05                                   
REMARK 500  4 LEU A 144     -151.79   -176.96                                   
REMARK 500  4 ALA A 152       51.29   -152.05                                   
REMARK 500  4 SER B  25       10.80    -58.62                                   
REMARK 500  4 ASN B  26       -9.44   -144.70                                   
REMARK 500  4 PHE B  50      106.94   -161.60                                   
REMARK 500  4 ASN B  53       35.28    176.58                                   
REMARK 500  4 THR B  54       36.96    -73.71                                   
REMARK 500  4 SER B  59     -155.12   -162.45                                   
REMARK 500  4 ALA B  60       71.25     72.07                                   
REMARK 500  4 ASN B  65       75.09   -106.83                                   
REMARK 500  4 GLU B  78     -102.74    -75.05                                   
REMARK 500  4 ARG B  79      141.48     73.72                                   
REMARK 500  4 ASP B  92      -45.29   -156.31                                   
REMARK 500  4 SER B  98       59.53   -156.94                                   
REMARK 500  4 VAL B 103       14.57   -151.30                                   
REMARK 500  4 ASP B 109     -112.56   -119.44                                   
REMARK 500  4 ILE B 112      -11.47    143.97                                   
REMARK 500  4 THR B 137     -124.11   -138.69                                   
REMARK 500  4 ASN B 139      -79.74     62.18                                   
REMARK 500  4 LEU B 144     -128.57   -157.57                                   
REMARK 500  4 ALA B 152      -56.43   -143.40                                   
REMARK 500  5 ILE A  17       56.54   -153.45                                   
REMARK 500  5 GLU A  24     -138.35   -103.26                                   
REMARK 500  5 SER A  25       34.00   -151.29                                   
REMARK 500  5 ASN A  26      -28.77   -178.88                                   
REMARK 500  5 VAL A  31       79.11   -116.12                                   
REMARK 500  5 GLU A  40      172.59    -57.60                                   
REMARK 500  5 PHE A  50     -169.05     56.07                                   
REMARK 500  5 ASP A  52       45.54    -82.36                                   
REMARK 500  5 ASN A  53       34.39    -91.69                                   
REMARK 500  5 THR A  58       40.02    -81.10                                   
REMARK 500  5 ALA A  60      106.71     -1.31                                   
REMARK 500  5 LYS A  75      -26.17   -169.96                                   
REMARK 500  5 GLU A  78      -82.03    -77.64                                   
REMARK 500  5 ARG A  79      111.95     66.67                                   
REMARK 500  5 SER A  98       76.04   -155.31                                   
REMARK 500  5 VAL A 103      -44.93   -152.25                                   
REMARK 500  5 ASP A 109      -60.77    -92.04                                   
REMARK 500  5 SER A 111      -88.88   -162.42                                   
REMARK 500  5 ILE A 113      140.74    114.54                                   
REMARK 500  5 LYS A 128      -42.03   -139.06                                   
REMARK 500  5 LEU A 144     -106.76   -103.35                                   
REMARK 500  5 PRO B  13       22.21    -74.18                                   
REMARK 500  5 LYS B  23      -91.64    -93.48                                   
REMARK 500  5 GLU B  40     -175.30    -64.65                                   
REMARK 500  5 GLU B  49       95.27    -64.16                                   
REMARK 500  5 PHE B  50     -166.95    177.55                                   
REMARK 500  5 ASN B  53       32.68    173.13                                   
REMARK 500  5 THR B  54       12.27    -68.25                                   
REMARK 500  5 CYS B  57       -5.79    -54.75                                   
REMARK 500  5 ALA B  60      -76.81     61.49                                   
REMARK 500  5 ASN B  65       77.87   -108.81                                   
REMARK 500  5 LYS B  75      -31.25   -153.01                                   
REMARK 500  5 ARG B  79       97.88     45.75                                   
REMARK 500  5 LEU B  84       50.29   -113.55                                   
REMARK 500  5 SER B 102       51.86   -116.78                                   
REMARK 500  5 VAL B 103      -48.64   -135.70                                   
REMARK 500  5 ILE B 112      -47.84   -177.37                                   
REMARK 500  5 LEU B 126       53.14     70.15                                   
REMARK 500  5 LYS B 128       72.40   -156.69                                   
REMARK 500  5 ASN B 139       30.93     75.96                                   
REMARK 500  5 ALA B 140       33.33    -63.68                                   
REMARK 500  5 SER B 142      157.39    170.90                                   
REMARK 500  6 GLU A  24     -122.46   -110.01                                   
REMARK 500  6 SER A  25      -25.31   -144.07                                   
REMARK 500  6 GLU A  40     -175.40    178.58                                   
REMARK 500  6 PHE A  50      160.57    101.31                                   
REMARK 500  6 ASN A  53      -42.34   -170.33                                   
REMARK 500  6 THR A  54      -58.99     49.75                                   
REMARK 500  6 SER A  59     -156.52   -164.94                                   
REMARK 500  6 ALA A  60     -169.09     74.88                                   
REMARK 500  6 HIS A  63       72.39     47.27                                   
REMARK 500  6 ASN A  65       67.48   -101.30                                   
REMARK 500  6 PRO A  74       -6.88    -55.54                                   
REMARK 500  6 LYS A  75        9.97   -155.89                                   
REMARK 500  6 GLU A  78      -91.83    -81.44                                   
REMARK 500  6 ARG A  79      118.45     78.72                                   
REMARK 500  6 SER A  98       58.81   -146.35                                   
REMARK 500  6 VAL A 103      -48.15   -156.31                                   
REMARK 500  6 LEU A 106       54.06   -100.64                                   
REMARK 500  6 ASP A 109       -6.11   -143.99                                   
REMARK 500  6 ILE A 112      -39.36    176.69                                   
REMARK 500  6 LYS A 128       87.39   -152.39                                   
REMARK 500  6 THR A 137      -32.91   -141.11                                   
REMARK 500  6 SER A 142     -178.27    139.20                                   
REMARK 500  6 LEU A 144     -127.20   -133.31                                   
REMARK 500  6 GLU B  24     -164.56   -123.28                                   
REMARK 500  6 GLU B  40     -172.84    -67.41                                   
REMARK 500  6 PHE B  50      177.01     68.72                                   
REMARK 500  6 ASN B  53       34.84    179.63                                   
REMARK 500  6 THR B  54       32.52    -54.12                                   
REMARK 500  6 ALA B  55       -3.31   -142.11                                   
REMARK 500  6 SER B  59      -37.64   -151.54                                   
REMARK 500  6 HIS B  63       96.58    -65.14                                   
REMARK 500  6 ASN B  65       57.81   -107.72                                   
REMARK 500  6 SER B  68       87.73     57.61                                   
REMARK 500  6 ARG B  69      176.62    179.17                                   
REMARK 500  6 HIS B  71      174.03    -57.78                                   
REMARK 500  6 PRO B  74      -11.32    -48.00                                   
REMARK 500  6 GLU B  78      -92.32    -78.15                                   
REMARK 500  6 ARG B  79       93.61     78.38                                   
REMARK 500  6 SER B 102       49.93   -108.05                                   
REMARK 500  6 VAL B 103      -44.51   -145.35                                   
REMARK 500  6 SER B 111     -115.75   -158.27                                   
REMARK 500  6 ILE B 113      117.92     91.24                                   
REMARK 500  6 LEU B 126       66.24     66.62                                   
REMARK 500  6 ASN B 131     -141.85   -109.53                                   
REMARK 500  6 ASN B 139        9.96     55.89                                   
REMARK 500  6 ALA B 140       24.96    -67.36                                   
REMARK 500  6 SER B 142     -148.16    -80.93                                   
REMARK 500  6 LEU B 144     -129.90   -109.72                                   
REMARK 500  7 THR A   2       42.53    -76.06                                   
REMARK 500  7 LYS A   3      101.94   -165.43                                   
REMARK 500  7 PRO A  13       20.76    -68.37                                   
REMARK 500  7 LYS A  23      -15.29   -145.52                                   
REMARK 500  7 ASN A  26       46.38   -161.67                                   
REMARK 500  7 GLU A  49       10.74    -66.84                                   
REMARK 500  7 ASN A  53       51.09   -147.35                                   
REMARK 500  7 THR A  58       39.24    -82.69                                   
REMARK 500  7 SER A  59      -55.37    172.09                                   
REMARK 500  7 ASN A  65       77.68   -119.70                                   
REMARK 500  7 GLU A  78      -94.04    -81.47                                   
REMARK 500  7 ARG A  79      121.10     80.02                                   
REMARK 500  7 ASP A 109     -100.82    -94.22                                   
REMARK 500  7 SER A 111     -120.08   -125.11                                   
REMARK 500  7 ILE A 113      147.41     76.68                                   
REMARK 500  7 LEU A 126       69.81     63.16                                   
REMARK 500  7 LYS A 128       36.06   -161.16                                   
REMARK 500  7 THR A 137      -32.68   -130.36                                   
REMARK 500  7 ALA A 140       19.07    -67.00                                   
REMARK 500  7 LEU A 144     -103.31   -142.09                                   
REMARK 500  7 SER B  25       -3.82    -45.05                                   
REMARK 500  7 ASN B  26       20.90   -157.72                                   
REMARK 500  7 GLU B  49       12.04    -67.68                                   
REMARK 500  7 SER B  59     -161.30   -120.99                                   
REMARK 500  7 ALA B  60      -82.92     62.79                                   
REMARK 500  7 PHE B  64      132.96    -30.21                                   
REMARK 500  7 GLU B  77      -10.70    -40.88                                   
REMARK 500  7 GLU B  78      -77.44    -70.69                                   
REMARK 500  7 ARG B  79       77.25     56.53                                   
REMARK 500  7 HIS B  80      164.46    -48.32                                   
REMARK 500  7 LEU B  84       41.22    -96.64                                   
REMARK 500  7 VAL B 103       15.12   -145.87                                   
REMARK 500  7 ASP B 109      -88.48    -74.66                                   
REMARK 500  7 ILE B 113      132.98     97.29                                   
REMARK 500  7 LYS B 128       99.41   -163.93                                   
REMARK 500  7 ASN B 139       -4.39     66.90                                   
REMARK 500  7 ALA B 140        5.11    -46.88                                   
REMARK 500  7 SER B 142     -152.40   -164.71                                   
REMARK 500  7 LEU B 144     -101.45    -97.85                                   
REMARK 500  8 PRO A  13       23.27    -70.44                                   
REMARK 500  8 GLU A  24     -132.13   -101.97                                   
REMARK 500  8 SER A  25      -82.04   -136.37                                   
REMARK 500  8 GLU A  49       47.76    -76.40                                   
REMARK 500  8 PHE A  50      156.99    173.80                                   
REMARK 500  8 ASP A  52       42.86    -67.67                                   
REMARK 500  8 ASN A  53       22.16   -166.54                                   
REMARK 500  8 THR A  54       74.55    -29.14                                   
REMARK 500  8 ALA A  55      -14.54    159.35                                   
REMARK 500  8 SER A  59      -20.31   -152.05                                   
REMARK 500  8 HIS A  63       89.18    -15.86                                   
REMARK 500  8 PHE A  64       98.45    -67.41                                   
REMARK 500  8 GLU A  78      -59.16   -122.98                                   
REMARK 500  8 ARG A  79      118.55     46.33                                   
REMARK 500  8 LYS A  91      -19.35    -47.98                                   
REMARK 500  8 SER A  98       90.43   -160.23                                   
REMARK 500  8 VAL A 103      -46.82   -156.83                                   
REMARK 500  8 SER A 107        6.40   -155.98                                   
REMARK 500  8 SER A 111     -110.58   -166.92                                   
REMARK 500  8 ILE A 113      133.79     92.19                                   
REMARK 500  8 LEU A 126       38.38     90.64                                   
REMARK 500  8 LYS A 128       10.09   -155.74                                   
REMARK 500  8 ASN A 131      -82.62   -102.85                                   
REMARK 500  8 GLU A 132      -69.31    177.17                                   
REMARK 500  8 LYS A 136      -75.55    -81.54                                   
REMARK 500  8 ALA A 140       28.36    -64.90                                   
REMARK 500  8 SER A 142     -171.56    146.31                                   
REMARK 500  8 LEU A 144     -115.60   -162.74                                   
REMARK 500  8 THR B   2       51.57    -92.92                                   
REMARK 500  8 ASN B  53        8.04   -173.57                                   
REMARK 500  8 THR B  54       44.61    -66.36                                   
REMARK 500  8 THR B  58       36.81    -76.46                                   
REMARK 500  8 SER B  59      -53.02    178.07                                   
REMARK 500  8 HIS B  63       86.36    -57.05                                   
REMARK 500  8 ASN B  65       65.77   -117.78                                   
REMARK 500  8 ARG B  79      136.61     57.93                                   
REMARK 500  8 SER B  98       87.80   -155.10                                   
REMARK 500  8 VAL B 103      -21.26   -161.16                                   
REMARK 500  8 LEU B 106       57.13    -92.51                                   
REMARK 500  8 ASP B 109     -103.07    -99.41                                   
REMARK 500  8 SER B 111     -131.03    -93.81                                   
REMARK 500  8 GLU B 133      -29.22    -35.96                                   
REMARK 500  8 THR B 137      -95.35   -111.38                                   
REMARK 500  8 ALA B 140       24.98    -74.34                                   
REMARK 500  8 SER B 142     -156.39   -161.41                                   
REMARK 500  8 ARG B 143     -166.75   -113.36                                   
REMARK 500  8 LEU B 144     -173.60   -179.54                                   
REMARK 500  8 ALA B 152      -16.66   -152.51                                   
REMARK 500  9 THR A   2       38.03    -79.50                                   
REMARK 500  9 GLU A  49       25.58    -62.42                                   
REMARK 500  9 ASN A  53       22.32   -176.32                                   
REMARK 500  9 THR A  54       44.45    -66.85                                   
REMARK 500  9 SER A  59      -26.85   -149.76                                   
REMARK 500  9 PRO A  74       47.06    -74.56                                   
REMARK 500  9 LYS A  75       -5.70    179.79                                   
REMARK 500  9 GLU A  78     -113.11    -84.22                                   
REMARK 500  9 ARG A  79      119.15     91.68                                   
REMARK 500  9 LEU A  84       52.37    -96.07                                   
REMARK 500  9 SER A  98       60.30   -157.21                                   
REMARK 500  9 SER A 102       55.01   -118.69                                   
REMARK 500  9 VAL A 103      -31.37   -139.45                                   
REMARK 500  9 ASP A 109      -88.52   -111.17                                   
REMARK 500  9 LYS A 128       -5.60   -148.33                                   
REMARK 500  9 ALA A 140       10.50    -60.19                                   
REMARK 500  9 LEU A 144     -119.23   -111.91                                   
REMARK 500  9 ALA A 152     -141.34    -94.21                                   
REMARK 500  9 PRO B  13       49.56    -76.45                                   
REMARK 500  9 PHE B  50      156.66     77.83                                   
REMARK 500  9 ASN B  53       43.64   -144.21                                   
REMARK 500  9 ALA B  60       28.51   -159.52                                   
REMARK 500  9 SER B  68       74.81     61.68                                   
REMARK 500  9 LYS B  75      -39.42   -170.37                                   
REMARK 500  9 ARG B  79      127.47     71.91                                   
REMARK 500  9 SER B  98       58.50   -156.24                                   
REMARK 500  9 VAL B 103       20.15   -149.46                                   
REMARK 500  9 SER B 107      -94.21    -84.88                                   
REMARK 500  9 ASP B 109     -108.95   -161.24                                   
REMARK 500  9 ILE B 112      -51.46   -150.06                                   
REMARK 500  9 LYS B 128       98.10   -162.04                                   
REMARK 500  9 THR B 137     -112.17   -115.33                                   
REMARK 500  9 ASN B 139       13.79     59.71                                   
REMARK 500  9 ALA B 140       33.18    -65.34                                   
REMARK 500  9 ALA B 152      -39.31   -154.88                                   
REMARK 500 10 THR A   2      116.81   -161.04                                   
REMARK 500 10 PRO A  13       42.55    -80.10                                   
REMARK 500 10 LEU A  38     -178.27    -69.00                                   
REMARK 500 10 GLU A  49      106.23    -31.03                                   
REMARK 500 10 PHE A  50      173.86    148.44                                   
REMARK 500 10 ASN A  53       17.47   -173.53                                   
REMARK 500 10 SER A  59     -159.51    -95.28                                   
REMARK 500 10 ALA A  60      104.69    -38.13                                   
REMARK 500 10 PRO A  62       96.89    -62.11                                   
REMARK 500 10 PHE A  64      137.83    -32.11                                   
REMARK 500 10 ASN A  65       63.66   -106.01                                   
REMARK 500 10 SER A  68       51.85     71.27                                   
REMARK 500 10 PRO A  74       -3.65    -52.33                                   
REMARK 500 10 GLU A  78      -65.30    -91.59                                   
REMARK 500 10 ARG A  79       77.07     52.91                                   
REMARK 500 10 HIS A  80      153.32    -46.91                                   
REMARK 500 10 SER A 102       51.57   -116.59                                   
REMARK 500 10 LEU A 106       52.20   -109.69                                   
REMARK 500 10 SER A 111     -161.23   -118.21                                   
REMARK 500 10 LYS A 136      -85.37    -86.55                                   
REMARK 500 10 LEU A 144      -64.19   -103.11                                   
REMARK 500 10 ILE B  17       50.86   -143.08                                   
REMARK 500 10 SER B  25      -57.13    -19.43                                   
REMARK 500 10 GLU B  49       48.67    -71.05                                   
REMARK 500 10 PHE B  50      138.73    178.66                                   
REMARK 500 10 ASN B  53       64.98    175.89                                   
REMARK 500 10 THR B  54       21.77    -73.45                                   
REMARK 500 10 SER B  59      -28.46   -151.64                                   
REMARK 500 10 HIS B  63      100.18    -57.11                                   
REMARK 500 10 ASN B  65       60.82   -106.12                                   
REMARK 500 10 LYS B  75      -25.18   -155.42                                   
REMARK 500 10 GLU B  78      -79.92    -98.17                                   
REMARK 500 10 ARG B  79      116.99     87.92                                   
REMARK 500 10 SER B  98       60.00   -161.17                                   
REMARK 500 10 SER B 102       50.73   -109.42                                   
REMARK 500 10 VAL B 103      -39.11   -133.80                                   
REMARK 500 10 ASP B 109      -46.66   -154.25                                   
REMARK 500 10 SER B 111      -78.11   -163.85                                   
REMARK 500 10 ILE B 113      146.20     77.93                                   
REMARK 500 10 LEU B 126       62.73     68.32                                   
REMARK 500 10 LYS B 128        7.94   -151.63                                   
REMARK 500 10 THR B 137      -31.32   -135.71                                   
REMARK 500 10 ASN B 139       -8.63    113.14                                   
REMARK 500 10 ALA B 140       -7.35    -57.24                                   
REMARK 500 10 LEU B 144     -160.10   -174.72                                   
REMARK 500 11 ASP A  11       60.96   -160.04                                   
REMARK 500 11 GLU A  24     -151.58   -131.71                                   
REMARK 500 11 LEU A  38     -178.82    -69.15                                   
REMARK 500 11 GLU A  40     -107.67    176.48                                   
REMARK 500 11 LEU A  42      136.67    -31.30                                   
REMARK 500 11 ALA A  60       86.94    -69.07                                   
REMARK 500 11 PHE A  64      109.95    -45.22                                   
REMARK 500 11 LYS A  75      -27.05   -165.15                                   
REMARK 500 11 GLU A  78      -68.34    -95.19                                   
REMARK 500 11 ARG A  79      125.39     68.36                                   
REMARK 500 11 SER A 102       45.81   -106.91                                   
REMARK 500 11 VAL A 103       18.13   -144.93                                   
REMARK 500 11 ASP A 109      -51.24   -142.09                                   
REMARK 500 11 SER A 111     -109.67   -134.03                                   
REMARK 500 11 ILE A 113      132.05    108.40                                   
REMARK 500 11 LEU A 126       58.45     35.13                                   
REMARK 500 11 GLU A 133       -7.33    -57.74                                   
REMARK 500 11 ALA A 140       26.42    -67.47                                   
REMARK 500 11 SER A 142     -150.13   -171.23                                   
REMARK 500 11 ARG A 143     -163.44   -114.30                                   
REMARK 500 11 LEU A 144     -155.27   -171.67                                   
REMARK 500 11 VAL B   7       79.82   -119.30                                   
REMARK 500 11 PRO B  13       45.31    -78.44                                   
REMARK 500 11 GLU B  40       -9.60    -50.21                                   
REMARK 500 11 PHE B  50     -135.74    -75.54                                   
REMARK 500 11 ASP B  52       58.76   -119.32                                   
REMARK 500 11 CYS B  57       -7.10    -56.23                                   
REMARK 500 11 SER B  59      -55.77   -159.41                                   
REMARK 500 11 HIS B  63       78.34     48.04                                   
REMARK 500 11 PHE B  64      116.30    -39.65                                   
REMARK 500 11 LYS B  75      -53.03   -158.93                                   
REMARK 500 11 ARG B  79       90.92     33.28                                   
REMARK 500 11 HIS B  80      159.03    -47.62                                   
REMARK 500 11 SER B 102       59.34   -116.49                                   
REMARK 500 11 VAL B 103       -2.61   -147.26                                   
REMARK 500 11 LEU B 106       48.03   -102.92                                   
REMARK 500 11 SER B 107       33.66    -85.27                                   
REMARK 500 11 ASP B 109      -21.74     76.78                                   
REMARK 500 11 SER B 111      -72.20   -142.02                                   
REMARK 500 11 ASN B 131     -127.54   -131.03                                   
REMARK 500 11 THR B 137     -108.88   -135.95                                   
REMARK 500 11 ASN B 139       45.56    -75.42                                   
REMARK 500 11 SER B 142     -176.93   -175.31                                   
REMARK 500 12 PHE A  50     -114.93    -82.53                                   
REMARK 500 12 ASP A  52       54.68   -143.92                                   
REMARK 500 12 ASN A  53       27.98    -73.39                                   
REMARK 500 12 SER A  59       98.00   -171.85                                   
REMARK 500 12 ALA A  60       58.86    149.60                                   
REMARK 500 12 PRO A  62       95.17    -69.77                                   
REMARK 500 12 PHE A  64      142.87    -39.28                                   
REMARK 500 12 ASN A  65       48.95   -104.41                                   
REMARK 500 12 GLU A  78      -82.94   -127.35                                   
REMARK 500 12 ARG A  79      140.55     79.12                                   
REMARK 500 12 SER A 102       53.05   -119.03                                   
REMARK 500 12 VAL A 103      -43.47   -137.81                                   
REMARK 500 12 SER A 107       -6.91   -152.83                                   
REMARK 500 12 SER A 111     -127.16   -118.88                                   
REMARK 500 12 ILE A 113      136.52     90.49                                   
REMARK 500 12 LYS A 128       62.11   -167.08                                   
REMARK 500 12 ALA A 140       46.39    -74.82                                   
REMARK 500 12 SER A 142      179.03    178.09                                   
REMARK 500 12 LEU A 144     -150.77   -135.14                                   
REMARK 500 12 ALA A 152      -40.97   -158.18                                   
REMARK 500 12 GLU B  49        2.31    -60.65                                   
REMARK 500 12 ASP B  52       49.06    -68.99                                   
REMARK 500 12 ASN B  53      131.45   -178.74                                   
REMARK 500 12 THR B  54       14.70   -152.31                                   
REMARK 500 12 THR B  58       45.83    -81.54                                   
REMARK 500 12 SER B  59      -59.71   -170.97                                   
REMARK 500 12 HIS B  71      155.09    -49.23                                   
REMARK 500 12 ARG B  79      106.67   -167.03                                   
REMARK 500 12 SER B 102       50.30   -118.00                                   
REMARK 500 12 ASP B 109      -84.63   -135.54                                   
REMARK 500 12 HIS B 110       -2.82   -150.35                                   
REMARK 500 12 ILE B 112      -34.35   -154.16                                   
REMARK 500 12 LYS B 128       87.67   -156.22                                   
REMARK 500 12 THR B 137     -113.63   -111.54                                   
REMARK 500 12 ASN B 139       14.89     56.64                                   
REMARK 500 12 ALA B 140       22.21    -68.42                                   
REMARK 500 12 SER B 142     -169.85    -65.06                                   
REMARK 500 12 LEU B 144     -121.96    -89.70                                   
REMARK 500 13 ILE A  17       80.71   -156.87                                   
REMARK 500 13 SER A  25      -17.48    -48.45                                   
REMARK 500 13 GLU A  40     -160.62    176.03                                   
REMARK 500 13 PHE A  45       84.55   -160.45                                   
REMARK 500 13 PHE A  50      169.34     71.12                                   
REMARK 500 13 ASP A  52       47.29    -78.95                                   
REMARK 500 13 ASN A  53       45.62    -90.13                                   
REMARK 500 13 SER A  59     -131.21   -158.54                                   
REMARK 500 13 ALA A  60       95.35    -32.34                                   
REMARK 500 13 PRO A  62       84.57    -69.24                                   
REMARK 500 13 ASN A  65       73.67   -118.88                                   
REMARK 500 13 LYS A  75      -30.34   -166.67                                   
REMARK 500 13 GLU A  78      -71.29    -92.04                                   
REMARK 500 13 ARG A  79      116.99     69.95                                   
REMARK 500 13 LYS A  91      -16.35    -48.93                                   
REMARK 500 13 SER A  98       81.34   -159.47                                   
REMARK 500 13 ASP A 109     -103.32   -170.44                                   
REMARK 500 13 ILE A 113      147.51    106.44                                   
REMARK 500 13 GLU A 121       39.07    -84.81                                   
REMARK 500 13 LEU A 126       79.73      1.54                                   
REMARK 500 13 GLU A 133      -33.97    -38.63                                   
REMARK 500 13 THR A 137      -10.79   -147.48                                   
REMARK 500 13 ASN A 139      -60.33     67.54                                   
REMARK 500 13 ALA A 140      -21.39     68.41                                   
REMARK 500 13 LEU A 144     -129.11   -128.94                                   
REMARK 500 13 ALA A 152       26.24    -78.36                                   
REMARK 500 13 THR B  54      -45.77   -137.17                                   
REMARK 500 13 SER B  59      -55.58   -156.83                                   
REMARK 500 13 HIS B  63       86.01    -20.19                                   
REMARK 500 13 ASN B  65       59.81   -111.46                                   
REMARK 500 13 GLU B  78     -100.34    -95.20                                   
REMARK 500 13 ARG B  79       97.28     85.77                                   
REMARK 500 13 HIS B  80      156.83    -49.67                                   
REMARK 500 13 SER B 102       53.19   -107.89                                   
REMARK 500 13 VAL B 103      -42.42   -144.30                                   
REMARK 500 13 LEU B 106       46.43    -84.85                                   
REMARK 500 13 ASP B 109      -83.23   -116.74                                   
REMARK 500 13 HIS B 110       -1.59   -143.42                                   
REMARK 500 13 SER B 111      -91.54    -73.46                                   
REMARK 500 13 LEU B 126       50.24     33.60                                   
REMARK 500 13 ASN B 139      -77.39     61.08                                   
REMARK 500 13 LEU B 144      -79.55   -140.74                                   
REMARK 500 13 ALA B 152     -141.26   -126.68                                   
REMARK 500 14 THR A   2       48.27    -79.16                                   
REMARK 500 14 ASP A  11       56.32    -92.70                                   
REMARK 500 14 GLU A  24     -154.42   -150.95                                   
REMARK 500 14 ASN A  26       -8.71   -153.49                                   
REMARK 500 14 THR A  39     -141.09    -80.53                                   
REMARK 500 14 GLU A  40     -154.13    -92.49                                   
REMARK 500 14 PHE A  50      166.72     68.95                                   
REMARK 500 14 ASP A  52       42.99    -83.70                                   
REMARK 500 14 ASN A  53      -26.85   -179.88                                   
REMARK 500 14 THR A  54      -18.35     27.74                                   
REMARK 500 14 CYS A  57       -2.75    -51.62                                   
REMARK 500 14 SER A  59      -27.45   -155.79                                   
REMARK 500 14 PRO A  62     -167.80   -101.69                                   
REMARK 500 14 PHE A  64      126.93    -39.74                                   
REMARK 500 14 LEU A  84       54.37   -108.67                                   
REMARK 500 14 SER A  98       54.05   -157.85                                   
REMARK 500 14 SER A 102       55.61   -107.50                                   
REMARK 500 14 VAL A 103       11.32   -152.47                                   
REMARK 500 14 SER A 107     -146.68    -83.30                                   
REMARK 500 14 ASP A 109      -70.09   -173.35                                   
REMARK 500 14 SER A 111     -100.60   -140.85                                   
REMARK 500 14 LEU A 126      -24.19     78.74                                   
REMARK 500 14 ALA A 140        6.96    -67.70                                   
REMARK 500 14 SER A 142      140.64   -175.92                                   
REMARK 500 14 LEU A 144     -143.02   -152.52                                   
REMARK 500 14 ASN B  26       19.89   -141.67                                   
REMARK 500 14 GLU B  40      178.54    -52.56                                   
REMARK 500 14 ASN B  53       33.62    171.26                                   
REMARK 500 14 ALA B  60     -138.07     61.00                                   
REMARK 500 14 PRO B  62      103.52    -55.04                                   
REMARK 500 14 PHE B  64      134.19    -37.62                                   
REMARK 500 14 HIS B  71     -176.33    -68.10                                   
REMARK 500 14 ARG B  79      100.97     14.57                                   
REMARK 500 14 SER B  98       56.67   -156.61                                   
REMARK 500 14 SER B 102       57.72   -107.04                                   
REMARK 500 14 VAL B 103      -41.97   -154.56                                   
REMARK 500 14 ASP B 109      -95.06   -123.51                                   
REMARK 500 14 SER B 111     -128.85   -107.20                                   
REMARK 500 14 LYS B 128       30.46   -163.27                                   
REMARK 500 14 ASN B 139      -68.08     66.43                                   
REMARK 500 14 ALA B 140      -66.70     57.69                                   
REMARK 500 14 SER B 142     -161.63   -166.49                                   
REMARK 500 14 ARG B 143     -156.49   -119.53                                   
REMARK 500 14 LEU B 144     -164.55   -179.82                                   
REMARK 500 14 ALA B 152     -120.07    -95.91                                   
REMARK 500 15 LYS A   9       80.12   -159.68                                   
REMARK 500 15 GLU A  40     -178.16   -172.30                                   
REMARK 500 15 ASN A  53       32.54   -159.18                                   
REMARK 500 15 SER A  59      106.67   -179.42                                   
REMARK 500 15 ALA A  60       73.43    166.53                                   
REMARK 500 15 HIS A  71     -175.91    -66.51                                   
REMARK 500 15 LYS A  75       -1.47   -148.59                                   
REMARK 500 15 ARG A  79      120.43     66.19                                   
REMARK 500 15 SER A 102       55.20   -119.17                                   
REMARK 500 15 VAL A 103      -27.34   -158.56                                   
REMARK 500 15 LEU A 106       47.82    -85.83                                   
REMARK 500 15 ASP A 109      -94.81   -121.15                                   
REMARK 500 15 SER A 111      -70.71   -107.43                                   
REMARK 500 15 ILE A 112      -51.01   -159.28                                   
REMARK 500 15 LYS A 128       37.26   -162.69                                   
REMARK 500 15 THR A 137      -93.04   -133.87                                   
REMARK 500 15 ASN A 139      -84.00     67.11                                   
REMARK 500 15 SER A 142     -177.40   -171.83                                   
REMARK 500 15 LEU A 144     -152.57   -150.94                                   
REMARK 500 15 ALA A 145      112.15    -37.47                                   
REMARK 500 15 PRO B  13       30.22    -71.92                                   
REMARK 500 15 LEU B  38     -152.40    -81.15                                   
REMARK 500 15 THR B  39      -91.78   -137.14                                   
REMARK 500 15 GLU B  40      -56.55   -127.98                                   
REMARK 500 15 PHE B  50      167.37    142.31                                   
REMARK 500 15 ASP B  52      113.97   -170.53                                   
REMARK 500 15 THR B  54      -55.86     77.56                                   
REMARK 500 15 THR B  58       -8.27    -58.01                                   
REMARK 500 15 SER B  59       42.12   -159.03                                   
REMARK 500 15 ALA B  60       72.59   -170.22                                   
REMARK 500 15 GLU B  77       -9.75    -59.76                                   
REMARK 500 15 GLU B  78      -98.02    -85.10                                   
REMARK 500 15 ARG B  79      133.37     94.09                                   
REMARK 500 15 LYS B  91      -37.94    151.62                                   
REMARK 500 15 VAL B 103       20.32   -156.12                                   
REMARK 500 15 SER B 107       84.07   -155.30                                   
REMARK 500 15 LYS B 128       82.39   -163.05                                   
REMARK 500 15 THR B 137      -44.64   -140.07                                   
REMARK 500 15 ALA B 140       30.46    -69.58                                   
REMARK 500 15 SER B 142     -163.10   -176.49                                   
REMARK 500 15 LEU B 144     -115.62    -93.74                                   
REMARK 500 16 GLU A  49       21.33    -70.68                                   
REMARK 500 16 ASN A  53      -34.39    168.07                                   
REMARK 500 16 THR A  54      -40.55     27.62                                   
REMARK 500 16 CYS A  57      -19.99    -49.02                                   
REMARK 500 16 ALA A  60      -94.16     63.51                                   
REMARK 500 16 SER A  68      110.02     66.83                                   
REMARK 500 16 ARG A  69      172.03    171.92                                   
REMARK 500 16 LYS A  75      -25.25   -152.51                                   
REMARK 500 16 ARG A  79      127.72     59.98                                   
REMARK 500 16 VAL A 103      -40.22   -137.95                                   
REMARK 500 16 LEU A 106       48.26    -96.36                                   
REMARK 500 16 SER A 111     -169.75    -78.45                                   
REMARK 500 16 LEU A 126       84.95     65.93                                   
REMARK 500 16 LYS A 128      -58.92   -155.97                                   
REMARK 500 16 ASN A 139        1.68     90.60                                   
REMARK 500 16 ALA A 140       -7.76    -55.54                                   
REMARK 500 16 LEU A 144     -148.84   -177.76                                   
REMARK 500 16 ALA A 152      -36.87   -156.96                                   
REMARK 500 16 PHE B  50      157.25     99.88                                   
REMARK 500 16 ASP B  52       51.94    -68.46                                   
REMARK 500 16 ASN B  53       35.18   -178.40                                   
REMARK 500 16 THR B  54       40.07    -63.60                                   
REMARK 500 16 CYS B  57       -6.69    -57.93                                   
REMARK 500 16 SER B  59      -35.47   -154.10                                   
REMARK 500 16 ASP B 109      -93.72   -101.20                                   
REMARK 500 16 SER B 111     -125.93    -95.42                                   
REMARK 500 16 LEU B 126      -37.65     79.17                                   
REMARK 500 16 LYS B 128     -113.46   -157.18                                   
REMARK 500 16 ASN B 139       17.56     55.52                                   
REMARK 500 16 ALA B 140       25.07    -69.33                                   
REMARK 500 16 SER B 142      166.67    179.76                                   
REMARK 500 16 LEU B 144     -130.60   -126.31                                   
REMARK 500 17 GLU A  40     -166.48    -65.31                                   
REMARK 500 17 PHE A  50      167.59     75.77                                   
REMARK 500 17 ASN A  53       21.05   -177.08                                   
REMARK 500 17 CYS A  57       -6.06    -57.17                                   
REMARK 500 17 HIS A  63       70.04     43.90                                   
REMARK 500 17 PHE A  64      134.30    -32.59                                   
REMARK 500 17 SER A  68       59.48     77.98                                   
REMARK 500 17 PRO A  74        0.42    -65.43                                   
REMARK 500 17 GLU A  78      -70.62   -127.51                                   
REMARK 500 17 ARG A  79      128.88     83.69                                   
REMARK 500 17 SER A 102       50.82   -111.54                                   
REMARK 500 17 VAL A 103      -42.97   -144.32                                   
REMARK 500 17 SER A 107       33.02    -90.08                                   
REMARK 500 17 ILE A 112      -42.73   -169.49                                   
REMARK 500 17 LEU A 126       89.28     34.28                                   
REMARK 500 17 ASN A 139       -4.04     62.05                                   
REMARK 500 17 ALA A 140       -3.70    -58.41                                   
REMARK 500 17 ALA A 152      -25.76   -153.67                                   
REMARK 500 17 GLU B  40     -176.36    -61.39                                   
REMARK 500 17 PHE B  50      156.82    150.54                                   
REMARK 500 17 ASN B  53       31.26    162.65                                   
REMARK 500 17 THR B  58       50.22    -98.69                                   
REMARK 500 17 SER B  59      -81.30   -170.73                                   
REMARK 500 17 ASN B  65       51.94   -104.13                                   
REMARK 500 17 LYS B  75      -16.64   -145.98                                   
REMARK 500 17 ARG B  79      119.79     67.83                                   
REMARK 500 17 LEU B  84       47.41   -109.79                                   
REMARK 500 17 SER B 102       59.32   -117.42                                   
REMARK 500 17 VAL B 103      -42.09   -157.24                                   
REMARK 500 17 ASP B 109     -105.46   -107.16                                   
REMARK 500 17 SER B 111     -158.35    -84.12                                   
REMARK 500 17 LEU B 126      -66.33     70.25                                   
REMARK 500 17 ASN B 131      -89.86   -103.23                                   
REMARK 500 17 GLU B 132      -76.66    170.40                                   
REMARK 500 17 ALA B 140       20.08    -73.09                                   
REMARK 500 17 SER B 142     -163.56   -175.69                                   
REMARK 500 17 LEU B 144     -103.84    -90.58                                   
REMARK 500 18 LYS A  23      -46.88   -137.93                                   
REMARK 500 18 PHE A  50     -169.05     56.83                                   
REMARK 500 18 ASP A  52       48.60    -77.91                                   
REMARK 500 18 ASN A  53        5.87    172.65                                   
REMARK 500 18 THR A  54      -10.02    -31.37                                   
REMARK 500 18 ALA A  55       35.67    -72.02                                   
REMARK 500 18 ALA A  60     -156.48     77.10                                   
REMARK 500 18 PRO A  62     -177.03    -66.80                                   
REMARK 500 18 SER A  68       56.89     73.48                                   
REMARK 500 18 GLU A  78     -114.93   -105.94                                   
REMARK 500 18 ARG A  79      119.18    103.27                                   
REMARK 500 18 HIS A  80     -176.87    -65.44                                   
REMARK 500 18 ASP A 109      -74.75   -129.31                                   
REMARK 500 18 SER A 111     -123.54    -92.39                                   
REMARK 500 18 LEU A 126      -38.34     65.10                                   
REMARK 500 18 ASN A 139       16.04     54.66                                   
REMARK 500 18 ALA A 140       27.27    -71.59                                   
REMARK 500 18 SER A 142     -150.31   -170.21                                   
REMARK 500 18 LEU A 144     -137.40    -96.20                                   
REMARK 500 18 PRO B  13       25.57    -73.67                                   
REMARK 500 18 ASP B  52       49.79    -77.10                                   
REMARK 500 18 ASN B  53       27.02    170.84                                   
REMARK 500 18 THR B  54      -22.73    -39.42                                   
REMARK 500 18 ALA B  55        2.81    -64.98                                   
REMARK 500 18 SER B  59       14.00   -155.29                                   
REMARK 500 18 SER B  68       58.91     77.27                                   
REMARK 500 18 LYS B  75      -26.92   -166.49                                   
REMARK 500 18 GLU B  78      -53.57   -143.98                                   
REMARK 500 18 ARG B  79      125.18     80.52                                   
REMARK 500 18 VAL B  81       26.63    -72.40                                   
REMARK 500 18 LEU B  84       41.90   -107.77                                   
REMARK 500 18 LEU B 106       54.03   -109.54                                   
REMARK 500 18 ASP B 109     -109.29    -99.41                                   
REMARK 500 18 SER B 111     -175.39    -60.76                                   
REMARK 500 18 ASN B 131     -156.21   -153.40                                   
REMARK 500 18 THR B 137      -46.60   -133.54                                   
REMARK 500 18 ALA B 140       30.06    -76.04                                   
REMARK 500 18 LEU B 144      -97.58   -128.84                                   
REMARK 500 18 ALA B 152      -19.61   -142.41                                   
REMARK 500 19 PRO A  13       32.52    -77.27                                   
REMARK 500 19 GLU A  24     -129.78   -104.19                                   
REMARK 500 19 SER A  25       14.67   -143.51                                   
REMARK 500 19 ASN A  26       -0.17   -168.07                                   
REMARK 500 19 GLU A  40     -175.80    -63.53                                   
REMARK 500 19 PHE A  50      146.02     77.35                                   
REMARK 500 19 ASP A  52       42.89    -76.89                                   
REMARK 500 19 ASN A  53       42.45    168.95                                   
REMARK 500 19 ALA A  55       30.26    -92.85                                   
REMARK 500 19 THR A  58       43.43    -87.16                                   
REMARK 500 19 SER A  59      -32.64   -179.87                                   
REMARK 500 19 PRO A  74        6.63    -61.88                                   
REMARK 500 19 LYS A  75        7.39   -155.93                                   
REMARK 500 19 ARG A  79      109.49     59.25                                   
REMARK 500 19 SER A  98       62.27   -155.27                                   
REMARK 500 19 SER A 102       53.55   -119.26                                   
REMARK 500 19 VAL A 103      -42.85   -138.84                                   
REMARK 500 19 SER A 111      -93.29   -108.62                                   
REMARK 500 19 ASN A 131      -96.69   -147.30                                   
REMARK 500 19 THR A 137     -125.85    -99.08                                   
REMARK 500 19 ASN A 139        7.81     52.58                                   
REMARK 500 19 ALA A 140       20.81    -67.10                                   
REMARK 500 19 ASP B  11       55.29   -159.23                                   
REMARK 500 19 PHE B  45       87.88   -154.19                                   
REMARK 500 19 ASN B  53       34.98   -165.14                                   
REMARK 500 19 SER B  59     -170.53    172.03                                   
REMARK 500 19 ALA B  60       27.39    -62.50                                   
REMARK 500 19 HIS B  63       78.34     78.60                                   
REMARK 500 19 LYS B  75       -1.39   -147.16                                   
REMARK 500 19 GLU B  78      -98.09   -129.63                                   
REMARK 500 19 ARG B  79      137.60     96.36                                   
REMARK 500 19 SER B 102       51.10   -110.89                                   
REMARK 500 19 VAL B 103      -38.06   -152.06                                   
REMARK 500 19 SER B 107       39.58    -94.85                                   
REMARK 500 19 ASP B 109      -34.95   -161.65                                   
REMARK 500 19 SER B 111      -71.37   -142.62                                   
REMARK 500 19 ILE B 113      144.16     86.72                                   
REMARK 500 19 LEU B 126       67.89     60.69                                   
REMARK 500 19 LYS B 128      -57.86   -146.88                                   
REMARK 500 19 GLU B 132      -78.49   -116.98                                   
REMARK 500 19 LYS B 136      -68.20   -105.16                                   
REMARK 500 19 ALA B 140       31.30    -72.87                                   
REMARK 500 19 SER B 142     -152.21   -160.16                                   
REMARK 500 19 LEU B 144     -168.70   -174.41                                   
REMARK 500 19 ALA B 152      -34.14   -146.35                                   
REMARK 500 20 LYS A   3       87.46   -161.94                                   
REMARK 500 20 PRO A  13       41.73    -79.85                                   
REMARK 500 20 PHE A  50     -144.53    -90.36                                   
REMARK 500 20 HIS A  63       66.93     34.27                                   
REMARK 500 20 PHE A  64      113.93    -14.63                                   
REMARK 500 20 SER A  68       53.63     70.93                                   
REMARK 500 20 PRO A  74       19.04    -69.05                                   
REMARK 500 20 LYS A  75        5.23   -157.81                                   
REMARK 500 20 GLU A  78      -83.97    -85.89                                   
REMARK 500 20 ARG A  79      112.43     72.35                                   
REMARK 500 20 LEU A  84       48.71    -79.17                                   
REMARK 500 20 ASP A  96       79.29   -102.54                                   
REMARK 500 20 VAL A 103      -35.71   -161.53                                   
REMARK 500 20 ASP A 109      -54.19   -177.26                                   
REMARK 500 20 SER A 111     -161.40    -73.08                                   
REMARK 500 20 ASN A 131     -145.31   -144.02                                   
REMARK 500 20 ASN A 139       -1.70     59.04                                   
REMARK 500 20 ALA A 140       16.44    -65.90                                   
REMARK 500 20 SER A 142     -168.22   -104.01                                   
REMARK 500 20 VAL B   7       71.61   -107.50                                   
REMARK 500 20 SER B  25       93.37    -64.01                                   
REMARK 500 20 ASN B  26      -32.66    160.08                                   
REMARK 500 20 GLU B  40     -176.65    175.90                                   
REMARK 500 20 PHE B  50     -169.93     66.09                                   
REMARK 500 20 ASP B  52       49.62    -79.63                                   
REMARK 500 20 ASN B  53       28.26    176.42                                   
REMARK 500 20 THR B  54       18.24    -57.35                                   
REMARK 500 20 SER B  59       -4.42   -161.15                                   
REMARK 500 20 SER B  98       69.87   -155.91                                   
REMARK 500 20 SER B 102       55.02   -108.86                                   
REMARK 500 20 VAL B 103      -40.51   -134.61                                   
REMARK 500 20 ASP B 109      -37.22   -165.26                                   
REMARK 500 20 SER B 111      -55.95   -161.07                                   
REMARK 500 20 ILE B 113      102.35     83.32                                   
REMARK 500 20 LEU B 126       63.60     86.10                                   
REMARK 500 20 LYS B 128     -153.95   -128.81                                   
REMARK 500 20 ASN B 139      -11.35     96.98                                   
REMARK 500 20 ALA B 140      -17.48    -38.20                                   
REMARK 500 20 SER B 142      -74.40    -62.63                                   
REMARK 500 20 ARG B 143      158.16    170.21                                   
REMARK 500 20 LEU B 144     -128.80   -131.98                                   
REMARK 500 21 PHE A  50      172.91     67.71                                   
REMARK 500 21 ASN A  53       35.69   -145.61                                   
REMARK 500 21 ALA A  55       23.19    -77.84                                   
REMARK 500 21 PHE A  64      150.13    -48.25                                   
REMARK 500 21 GLU A  78      -87.13   -103.83                                   
REMARK 500 21 ARG A  79      133.24     84.82                                   
REMARK 500 21 LYS A  91      -32.25    -39.08                                   
REMARK 500 21 SER A  98       89.07   -157.81                                   
REMARK 500 21 SER A 102       51.19   -101.39                                   
REMARK 500 21 VAL A 103      -48.23   -130.98                                   
REMARK 500 21 SER A 111     -122.18   -118.82                                   
REMARK 500 21 ASN A 131      -77.05   -103.53                                   
REMARK 500 21 GLU A 132      -80.83    174.49                                   
REMARK 500 21 ASN A 139       -8.60    110.83                                   
REMARK 500 21 LEU A 144     -146.63   -150.08                                   
REMARK 500 21 PHE B  50      167.74     74.57                                   
REMARK 500 21 ASN B  53       38.30   -144.73                                   
REMARK 500 21 ALA B  60      -96.06     66.69                                   
REMARK 500 21 HIS B  63      100.14    -23.89                                   
REMARK 500 21 LYS B  75        4.76   -167.05                                   
REMARK 500 21 GLU B  78      -84.61    -84.38                                   
REMARK 500 21 ARG B  79      102.45     78.84                                   
REMARK 500 21 VAL B 103      -29.72   -148.84                                   
REMARK 500 21 SER B 107       52.56    -93.48                                   
REMARK 500 21 SER B 111      -98.69   -141.75                                   
REMARK 500 21 ILE B 113      137.36     94.43                                   
REMARK 500 21 LEU B 126       42.54    -84.83                                   
REMARK 500 21 LYS B 128      -59.25   -154.86                                   
REMARK 500 21 LYS B 136      -91.44   -102.04                                   
REMARK 500 21 ASN B 139      -68.40     63.75                                   
REMARK 500 21 ALA B 140      -15.56     70.26                                   
REMARK 500 21 SER B 142     -166.10   -161.65                                   
REMARK 500 21 LEU B 144     -105.37   -127.23                                   
REMARK 500 22 PRO A  13       37.68    -73.74                                   
REMARK 500 22 GLU A  24     -139.86   -146.75                                   
REMARK 500 22 GLU A  49       87.77    -65.96                                   
REMARK 500 22 PHE A  50      177.96     74.20                                   
REMARK 500 22 ASP A  52       64.79    -66.98                                   
REMARK 500 22 ASN A  53      -39.02    167.53                                   
REMARK 500 22 THR A  54      -58.48     55.02                                   
REMARK 500 22 ALA A  55        4.22    -68.47                                   
REMARK 500 22 CYS A  57       -8.48    -55.66                                   
REMARK 500 22 SER A  98       85.77   -155.13                                   
REMARK 500 22 VAL A 103       16.23   -149.06                                   
REMARK 500 22 LEU A 106       50.89    -92.53                                   
REMARK 500 22 ASP A 109      -92.71    -89.54                                   
REMARK 500 22 SER A 111     -142.14    -79.16                                   
REMARK 500 22 LEU A 126       63.08     94.79                                   
REMARK 500 22 LYS A 128     -144.96   -118.35                                   
REMARK 500 22 ASN A 139        2.02    114.08                                   
REMARK 500 22 ALA A 140        1.27    -54.50                                   
REMARK 500 22 ALA A 152      -20.61   -155.53                                   
REMARK 500 22 GLU B  40       -0.27    -53.30                                   
REMARK 500 22 ASP B  52       45.02    -73.50                                   
REMARK 500 22 ASN B  53       55.72   -173.55                                   
REMARK 500 22 SER B  59      106.37    168.08                                   
REMARK 500 22 ALA B  60       98.49   -171.48                                   
REMARK 500 22 ASN B  65       60.12   -100.19                                   
REMARK 500 22 HIS B  71     -176.17    -67.36                                   
REMARK 500 22 PRO B  74       10.07    -66.64                                   
REMARK 500 22 LYS B  75      -30.61   -166.07                                   
REMARK 500 22 GLU B  77      -17.86    -46.31                                   
REMARK 500 22 GLU B  78      -79.61    -85.36                                   
REMARK 500 22 ARG B  79      110.71     78.42                                   
REMARK 500 22 SER B  98       57.13   -157.20                                   
REMARK 500 22 SER B 102       58.60   -118.61                                   
REMARK 500 22 VAL B 103      -37.18   -159.34                                   
REMARK 500 22 ASP B 109      -76.62   -156.26                                   
REMARK 500 22 SER B 111     -151.92   -106.60                                   
REMARK 500 22 LEU B 126      -29.63     71.41                                   
REMARK 500 22 THR B 137      -93.30   -125.24                                   
REMARK 500 22 ASN B 139        4.04     56.67                                   
REMARK 500 22 ALA B 140       -5.88    -50.98                                   
REMARK 500 22 LEU B 144     -134.70   -135.55                                   
REMARK 500 22 ALA B 152     -135.21   -103.22                                   
REMARK 500 23 GLU A  40       -2.01    -53.79                                   
REMARK 500 23 PHE A  50      165.32     71.02                                   
REMARK 500 23 ASP A  52       46.79    -72.91                                   
REMARK 500 23 ASN A  53       40.10    174.45                                   
REMARK 500 23 THR A  54       19.97    -53.71                                   
REMARK 500 23 THR A  58       42.64    -90.52                                   
REMARK 500 23 SER A  59      -35.35    178.57                                   
REMARK 500 23 ASN A  65       57.84   -108.11                                   
REMARK 500 23 PRO A  74        0.45    -56.69                                   
REMARK 500 23 ARG A  79      118.53    -17.36                                   
REMARK 500 23 VAL A  81       29.58    -76.33                                   
REMARK 500 23 VAL A 103      -47.70   -139.89                                   
REMARK 500 23 ASP A 109       45.59   -172.30                                   
REMARK 500 23 HIS A 110      -40.53   -140.85                                   
REMARK 500 23 SER A 111     -125.34    -90.67                                   
REMARK 500 23 LEU A 126      -64.50     85.33                                   
REMARK 500 23 LYS A 128      109.28   -163.43                                   
REMARK 500 23 GLU A 133      -31.43    -35.28                                   
REMARK 500 23 SER A 142      156.73    104.86                                   
REMARK 500 23 ARG A 143      131.32     61.85                                   
REMARK 500 23 LEU A 144     -165.83    179.94                                   
REMARK 500 23 ASN B  26      -30.10    158.47                                   
REMARK 500 23 GLU B  40     -168.49    173.39                                   
REMARK 500 23 PHE B  50     -130.45     -0.29                                   
REMARK 500 23 ASP B  52       48.32    -81.83                                   
REMARK 500 23 ASN B  53       43.90   -176.89                                   
REMARK 500 23 THR B  54       19.74    -59.69                                   
REMARK 500 23 THR B  58       30.68    -71.79                                   
REMARK 500 23 SER B  59        5.53   -179.81                                   
REMARK 500 23 LYS B  75       -1.35   -141.83                                   
REMARK 500 23 GLU B  78      -85.63    -98.51                                   
REMARK 500 23 ARG B  79      121.22     80.93                                   
REMARK 500 23 VAL B 103       22.47   -141.40                                   
REMARK 500 23 ASP B 109      -46.67   -148.13                                   
REMARK 500 23 SER B 111      -92.85    -99.14                                   
REMARK 500 23 ASN B 131     -159.13   -118.00                                   
REMARK 500 23 THR B 137      -68.72   -121.78                                   
REMARK 500 23 ALA B 140        3.45    -61.56                                   
REMARK 500 23 LEU B 144     -157.88   -171.31                                   
REMARK 500 23 ALA B 152       -2.74   -146.23                                   
REMARK 500 24 PRO A  13       42.87    -80.25                                   
REMARK 500 24 GLU A  24     -143.12   -155.03                                   
REMARK 500 24 ASN A  26       12.78   -145.73                                   
REMARK 500 24 PHE A  45       84.18   -155.51                                   
REMARK 500 24 GLU A  49       58.50    -68.17                                   
REMARK 500 24 PHE A  50     -129.70     35.44                                   
REMARK 500 24 THR A  54       15.25    152.19                                   
REMARK 500 24 HIS A  63       94.56    -47.49                                   
REMARK 500 24 SER A  68       52.35     71.29                                   
REMARK 500 24 PRO A  74       24.67    -75.49                                   
REMARK 500 24 LYS A  75      -15.92   -174.18                                   
REMARK 500 24 GLU A  77        0.32    -55.08                                   
REMARK 500 24 GLU A  78      -90.22    -71.59                                   
REMARK 500 24 ARG A  79      121.88     84.44                                   
REMARK 500 24 LYS A  91       -8.92    -58.95                                   
REMARK 500 24 VAL A 103      -40.89   -157.55                                   
REMARK 500 24 ASP A 109      -35.72     85.87                                   
REMARK 500 24 SER A 111      -98.63   -116.57                                   
REMARK 500 24 ILE A 113      125.02     95.60                                   
REMARK 500 24 LEU A 126       66.04     63.10                                   
REMARK 500 24 LYS A 128       78.11   -164.58                                   
REMARK 500 24 ASN A 131     -157.94   -155.10                                   
REMARK 500 24 GLU A 133      -18.10    -47.81                                   
REMARK 500 24 THR A 137     -108.37   -119.32                                   
REMARK 500 24 ASN A 139       27.39     48.91                                   
REMARK 500 24 ALA A 140       29.43    -70.97                                   
REMARK 500 24 SER A 142     -153.28    173.42                                   
REMARK 500 24 LEU A 144     -124.43   -122.61                                   
REMARK 500 24 GLU B  24     -167.43   -114.78                                   
REMARK 500 24 ASN B  26       15.76   -142.80                                   
REMARK 500 24 PHE B  45       75.83   -159.92                                   
REMARK 500 24 ASN B  53       23.63   -144.78                                   
REMARK 500 24 SER B  59       66.22   -101.85                                   
REMARK 500 24 ALA B  60       66.14   -171.72                                   
REMARK 500 24 HIS B  63       93.70    -16.72                                   
REMARK 500 24 PHE B  64      126.89    -34.24                                   
REMARK 500 24 ASN B  65       47.57   -107.56                                   
REMARK 500 24 PRO B  74       48.70    -69.55                                   
REMARK 500 24 LYS B  75      -13.60    176.69                                   
REMARK 500 24 GLU B  78     -102.32    -81.44                                   
REMARK 500 24 ARG B  79      117.49     82.02                                   
REMARK 500 24 ASP B  90      -89.01    -85.45                                   
REMARK 500 24 LYS B  91      -45.06   -176.36                                   
REMARK 500 24 ASP B  92       36.27    -82.13                                   
REMARK 500 24 SER B  98       61.35   -157.04                                   
REMARK 500 24 SER B 102       54.97   -119.43                                   
REMARK 500 24 VAL B 103      -37.02   -154.44                                   
REMARK 500 24 SER B 107       74.00   -103.52                                   
REMARK 500 24 SER B 111      -85.96    -78.20                                   
REMARK 500 24 ILE B 112      -10.32   -142.85                                   
REMARK 500 24 LYS B 128       99.18   -160.34                                   
REMARK 500 24 THR B 137     -104.57    -96.69                                   
REMARK 500 24 ASN B 139       24.05     44.55                                   
REMARK 500 24 ALA B 140       37.49    -75.39                                   
REMARK 500 24 SER B 142     -105.72    151.59                                   
REMARK 500 24 LEU B 144      161.41    179.73                                   
REMARK 500 24 ALA B 145      100.54      7.52                                   
REMARK 500 24 ALA B 152       22.50    -76.44                                   
REMARK 500 25 PRO A  13       42.87    -80.25                                   
REMARK 500 25 GLU A  24     -143.12   -155.03                                   
REMARK 500 25 ASN A  26       12.78   -145.73                                   
REMARK 500 25 PHE A  45       84.18   -155.51                                   
REMARK 500 25 GLU A  49       58.50    -68.17                                   
REMARK 500 25 PHE A  50     -129.70     35.44                                   
REMARK 500 25 THR A  54       15.25    152.19                                   
REMARK 500 25 HIS A  63       94.56    -47.49                                   
REMARK 500 25 SER A  68       52.35     71.29                                   
REMARK 500 25 PRO A  74       24.67    -75.49                                   
REMARK 500 25 LYS A  75      -15.92   -174.18                                   
REMARK 500 25 GLU A  77        0.32    -55.08                                   
REMARK 500 25 GLU A  78      -90.22    -71.59                                   
REMARK 500 25 ARG A  79      121.88     84.44                                   
REMARK 500 25 LYS A  91       -8.92    -58.95                                   
REMARK 500 25 VAL A 103      -40.89   -157.55                                   
REMARK 500 25 ASP A 109      -35.72     85.87                                   
REMARK 500 25 SER A 111      -98.63   -116.57                                   
REMARK 500 25 ILE A 113      125.02     95.60                                   
REMARK 500 25 LEU A 126       66.04     63.10                                   
REMARK 500 25 LYS A 128       78.11   -164.58                                   
REMARK 500 25 ASN A 131     -157.94   -155.10                                   
REMARK 500 25 GLU A 133      -18.10    -47.81                                   
REMARK 500 25 THR A 137     -108.37   -119.32                                   
REMARK 500 25 ASN A 139       27.39     48.91                                   
REMARK 500 25 ALA A 140       29.43    -70.97                                   
REMARK 500 25 SER A 142     -153.28    173.42                                   
REMARK 500 25 LEU A 144     -124.43   -122.61                                   
REMARK 500 25 GLU B  24     -167.43   -114.78                                   
REMARK 500 25 ASN B  26       15.76   -142.80                                   
REMARK 500 25 PHE B  45       75.83   -159.92                                   
REMARK 500 25 ASN B  53       23.63   -144.78                                   
REMARK 500 25 SER B  59       66.22   -101.85                                   
REMARK 500 25 ALA B  60       66.14   -171.72                                   
REMARK 500 25 HIS B  63       93.70    -16.72                                   
REMARK 500 25 PHE B  64      126.89    -34.24                                   
REMARK 500 25 ASN B  65       47.57   -107.56                                   
REMARK 500 25 PRO B  74       48.70    -69.55                                   
REMARK 500 25 LYS B  75      -13.60    176.69                                   
REMARK 500 25 GLU B  78     -102.32    -81.44                                   
REMARK 500 25 ARG B  79      117.49     82.02                                   
REMARK 500 25 ASP B  90      -89.01    -85.45                                   
REMARK 500 25 LYS B  91      -45.06   -176.36                                   
REMARK 500 25 ASP B  92       36.27    -82.13                                   
REMARK 500 25 SER B  98       61.35   -157.04                                   
REMARK 500 25 SER B 102       54.97   -119.43                                   
REMARK 500 25 VAL B 103      -37.02   -154.44                                   
REMARK 500 25 SER B 107       74.00   -103.52                                   
REMARK 500 25 SER B 111      -85.96    -78.20                                   
REMARK 500 25 ILE B 112      -10.32   -142.85                                   
REMARK 500 25 LYS B 128       99.18   -160.34                                   
REMARK 500 25 THR B 137     -104.57    -96.69                                   
REMARK 500 25 ASN B 139       24.05     44.55                                   
REMARK 500 25 ALA B 140       37.49    -75.39                                   
REMARK 500 25 SER B 142     -105.72    151.59                                   
REMARK 500 25 LEU B 144      161.41    179.73                                   
REMARK 500 25 ALA B 145      100.54      7.52                                   
REMARK 500 25 ALA B 152       22.50    -76.44                                   
REMARK 500 26 LYS A   9       70.76   -153.90                                   
REMARK 500 26 GLU A  49     -120.31    -63.65                                   
REMARK 500 26 ASN A  53       22.27   -172.43                                   
REMARK 500 26 THR A  54        5.80    -44.33                                   
REMARK 500 26 CYS A  57       -7.41    -51.26                                   
REMARK 500 26 SER A  59      -47.14   -169.81                                   
REMARK 500 26 PHE A  64      113.57    -28.29                                   
REMARK 500 26 ARG A  79      102.14      4.52                                   
REMARK 500 26 LEU A  84       54.54   -108.81                                   
REMARK 500 26 LYS A  91      -17.71    -49.94                                   
REMARK 500 26 SER A 102       50.74   -119.97                                   
REMARK 500 26 VAL A 103        6.46   -154.72                                   
REMARK 500 26 LEU A 106       48.35    -81.72                                   
REMARK 500 26 SER A 107       43.92    -88.16                                   
REMARK 500 26 ASP A 109       16.67   -149.41                                   
REMARK 500 26 SER A 111     -103.12   -166.39                                   
REMARK 500 26 LEU A 126       81.00     56.26                                   
REMARK 500 26 LEU A 144     -158.96   -170.10                                   
REMARK 500 26 SER B  25       24.77    -43.77                                   
REMARK 500 26 ASN B  26      -24.87    179.76                                   
REMARK 500 26 PHE B  50      133.05    121.22                                   
REMARK 500 26 ASP B  52       51.58   -103.13                                   
REMARK 500 26 ASN B  53       37.73   -172.10                                   
REMARK 500 26 THR B  54       47.02    -61.80                                   
REMARK 500 26 ALA B  55      -21.95   -152.28                                   
REMARK 500 26 CYS B  57        1.17    -52.78                                   
REMARK 500 26 HIS B  63       59.23     28.32                                   
REMARK 500 26 PRO B  74       24.18    -71.30                                   
REMARK 500 26 LYS B  75      -41.39   -168.59                                   
REMARK 500 26 GLU B  78      -65.21   -105.71                                   
REMARK 500 26 ARG B  79      126.72     76.77                                   
REMARK 500 26 SER B  98       82.97   -150.77                                   
REMARK 500 26 VAL B 103       34.82   -152.47                                   
REMARK 500 26 ASP B 109      -90.98   -139.15                                   
REMARK 500 26 HIS B 110       -4.88   -150.45                                   
REMARK 500 26 ILE B 112        8.55    149.36                                   
REMARK 500 26 ASP B 125      -52.27   -169.30                                   
REMARK 500 26 LYS B 128       21.62   -160.21                                   
REMARK 500 26 ASN B 131     -165.31   -163.08                                   
REMARK 500 26 ASN B 139       19.11     56.83                                   
REMARK 500 26 LEU B 144     -152.60   -150.01                                   
REMARK 500 27 GLU A  24     -146.06   -121.37                                   
REMARK 500 27 SER A  25      -45.84   -139.68                                   
REMARK 500 27 ASN A  26       32.45    -85.76                                   
REMARK 500 27 THR A  54       71.32    -61.30                                   
REMARK 500 27 ALA A  55      -63.50   -141.84                                   
REMARK 500 27 CYS A  57       -9.52    -56.11                                   
REMARK 500 27 ALA A  60     -125.73     85.68                                   
REMARK 500 27 PRO A  62       57.58   -109.32                                   
REMARK 500 27 HIS A  63       87.83     61.95                                   
REMARK 500 27 PHE A  64      152.05    -46.36                                   
REMARK 500 27 GLU A  78     -106.39    -78.04                                   
REMARK 500 27 ARG A  79      101.01     71.58                                   
REMARK 500 27 ASP A  83      116.22   -160.06                                   
REMARK 500 27 SER A  98       50.20   -155.51                                   
REMARK 500 27 SER A 102       53.47   -118.24                                   
REMARK 500 27 VAL A 103      -36.78   -155.18                                   
REMARK 500 27 SER A 111     -103.05   -168.16                                   
REMARK 500 27 ILE A 113      121.76    105.64                                   
REMARK 500 27 ALA A 140       40.61    -72.10                                   
REMARK 500 27 SER A 142     -150.45   -177.07                                   
REMARK 500 27 GLU B  24     -145.01    -97.45                                   
REMARK 500 27 SER B  25       40.57   -163.61                                   
REMARK 500 27 ASN B  26      -42.51    178.02                                   
REMARK 500 27 PHE B  50      147.28     93.24                                   
REMARK 500 27 ASN B  53       28.33   -157.85                                   
REMARK 500 27 SER B  59     -125.72    -99.90                                   
REMARK 500 27 ALA B  60       83.31    -59.86                                   
REMARK 500 27 PRO B  62       89.95    -64.74                                   
REMARK 500 27 ASN B  65       66.33   -110.21                                   
REMARK 500 27 GLU B  77       -4.99    -39.72                                   
REMARK 500 27 GLU B  78      -75.95    -74.00                                   
REMARK 500 27 ARG B  79      107.02     52.76                                   
REMARK 500 27 LYS B  91      -40.88    172.81                                   
REMARK 500 27 SER B 102       51.31   -115.72                                   
REMARK 500 27 VAL B 103      -50.94   -136.39                                   
REMARK 500 27 ASP B 109       34.87   -148.94                                   
REMARK 500 27 HIS B 110        4.08   -158.01                                   
REMARK 500 27 SER B 111      -91.21   -133.28                                   
REMARK 500 27 LEU B 126       44.91     33.11                                   
REMARK 500 27 LYS B 128       80.94   -155.99                                   
REMARK 500 27 THR B 137      -79.04   -109.40                                   
REMARK 500 27 ASN B 139      -35.67     58.97                                   
REMARK 500 27 ALA B 145      149.42   -173.30                                   
REMARK 500 28 ILE A  17       53.81   -150.34                                   
REMARK 500 28 SER A  25        0.62    -62.55                                   
REMARK 500 28 ASN A  53      -30.73   -154.75                                   
REMARK 500 28 THR A  54       35.88     21.15                                   
REMARK 500 28 ALA A  55       -2.78   -146.57                                   
REMARK 500 28 SER A  59        9.37   -150.28                                   
REMARK 500 28 ASN A  65       79.69   -110.32                                   
REMARK 500 28 SER A  68       70.18     58.96                                   
REMARK 500 28 LYS A  75       -1.42   -146.19                                   
REMARK 500 28 GLU A  78      -82.49    -82.57                                   
REMARK 500 28 ARG A  79      110.92     79.95                                   
REMARK 500 28 VAL A  81      -36.60    -39.83                                   
REMARK 500 28 VAL A 103      -17.55   -142.70                                   
REMARK 500 28 SER A 111      -90.42   -166.51                                   
REMARK 500 28 ILE A 112      -99.24   -119.16                                   
REMARK 500 28 ILE A 113      -88.17     37.11                                   
REMARK 500 28 LYS A 128       88.78   -156.52                                   
REMARK 500 28 ASN A 131     -158.48   -102.56                                   
REMARK 500 28 THR A 137      -95.38    -90.81                                   
REMARK 500 28 ASN A 139       -7.12     56.59                                   
REMARK 500 28 LEU A 144     -153.38   -142.28                                   
REMARK 500 28 ASP B  11       49.68    -87.74                                   
REMARK 500 28 GLU B  24     -165.72   -107.48                                   
REMARK 500 28 VAL B  31       77.82   -119.65                                   
REMARK 500 28 PHE B  50     -162.71     55.77                                   
REMARK 500 28 ASP B  52       69.29   -116.91                                   
REMARK 500 28 ALA B  55       31.23    -76.45                                   
REMARK 500 28 SER B  59      -63.93   -107.39                                   
REMARK 500 28 HIS B  63      101.28    -38.59                                   
REMARK 500 28 ASN B  65       75.80   -104.23                                   
REMARK 500 28 LYS B  75      -37.18   -149.93                                   
REMARK 500 28 GLU B  78      -62.96    -90.85                                   
REMARK 500 28 ARG B  79      121.26     55.34                                   
REMARK 500 28 SER B  98       59.91   -157.28                                   
REMARK 500 28 SER B 102       52.37   -104.47                                   
REMARK 500 28 LEU B 106       51.70    -97.02                                   
REMARK 500 28 SER B 111     -112.11   -113.59                                   
REMARK 500 28 LEU B 126       24.68     84.32                                   
REMARK 500 28 LYS B 128      -17.09   -158.68                                   
REMARK 500 28 THR B 137      -25.46   -148.31                                   
REMARK 500 28 ASN B 139       18.07     51.67                                   
REMARK 500 28 LEU B 144     -134.83   -120.66                                   
REMARK 500 28 ALA B 152       49.70    -79.55                                   
REMARK 500 29 THR A   2       43.61    -84.23                                   
REMARK 500 29 ILE A  17       86.16   -155.51                                   
REMARK 500 29 LYS A  23      -24.01   -145.54                                   
REMARK 500 29 ASN A  26       -7.98   -145.63                                   
REMARK 500 29 GLU A  40      -93.51    -77.29                                   
REMARK 500 29 LEU A  42      131.75     62.85                                   
REMARK 500 29 PHE A  50      166.67     68.36                                   
REMARK 500 29 ASN A  53       21.99    172.03                                   
REMARK 500 29 THR A  54      -15.24    -36.10                                   
REMARK 500 29 THR A  58       42.60    -90.95                                   
REMARK 500 29 SER A  59      -27.80   -179.87                                   
REMARK 500 29 ASN A  65       48.68   -107.48                                   
REMARK 500 29 LYS A  75      -29.37   -149.82                                   
REMARK 500 29 GLU A  78      -72.29    -76.89                                   
REMARK 500 29 ARG A  79      114.09     77.45                                   
REMARK 500 29 SER A 102       52.91   -118.17                                   
REMARK 500 29 VAL A 103       16.06   -154.66                                   
REMARK 500 29 LEU A 106       56.60   -103.94                                   
REMARK 500 29 ASP A 109      -44.88     85.77                                   
REMARK 500 29 SER A 111     -152.56   -138.22                                   
REMARK 500 29 ALA A 123      125.58    -33.58                                   
REMARK 500 29 LYS A 128       67.74   -164.85                                   
REMARK 500 29 ALA A 140       30.02    -73.92                                   
REMARK 500 29 SER A 142     -144.59   -171.30                                   
REMARK 500 29 LEU A 144     -141.04   -174.42                                   
REMARK 500 29 ALA A 152     -126.86   -155.95                                   
REMARK 500 29 ASN B  26       64.12   -163.79                                   
REMARK 500 29 PHE B  45       57.95   -160.43                                   
REMARK 500 29 GLU B  49       85.58    -61.15                                   
REMARK 500 29 PHE B  50     -157.99     67.95                                   
REMARK 500 29 ASP B  52       56.52    -62.57                                   
REMARK 500 29 ASN B  53      -11.01    176.39                                   
REMARK 500 29 THR B  54       30.10      7.21                                   
REMARK 500 29 ALA B  55       10.93   -162.20                                   
REMARK 500 29 PRO B  62       49.24   -109.08                                   
REMARK 500 29 HIS B  63       82.69     56.77                                   
REMARK 500 29 ASN B  65       79.86   -114.29                                   
REMARK 500 29 LYS B  75      -46.42   -132.06                                   
REMARK 500 29 GLU B  78      -76.48   -100.58                                   
REMARK 500 29 ARG B  79      113.70     84.66                                   
REMARK 500 29 SER B  98       59.96   -157.69                                   
REMARK 500 29 SER B 102       59.27   -112.75                                   
REMARK 500 29 VAL B 103      -36.50   -158.12                                   
REMARK 500 29 ASP B 109      -91.53   -154.43                                   
REMARK 500 29 SER B 111      -91.31    -92.60                                   
REMARK 500 29 LEU B 126       84.29     57.96                                   
REMARK 500 29 THR B 137      -15.11   -152.71                                   
REMARK 500 29 ALA B 140       38.88    -72.90                                   
REMARK 500 29 ALA B 152        1.30   -150.58                                   
REMARK 500 30 GLU A  24     -155.65   -153.66                                   
REMARK 500 30 LEU A  38     -161.63    -75.44                                   
REMARK 500 30 PHE A  45       78.71   -153.15                                   
REMARK 500 30 GLU A  49     -172.69    -64.75                                   
REMARK 500 30 THR A  54     -145.75    112.48                                   
REMARK 500 30 ALA A  55      -10.13     49.05                                   
REMARK 500 30 SER A  59       45.57   -158.43                                   
REMARK 500 30 ALA A  60      125.45    176.96                                   
REMARK 500 30 HIS A  63       57.18     36.04                                   
REMARK 500 30 PHE A  64      122.79    -27.05                                   
REMARK 500 30 ARG A  79      120.44     70.71                                   
REMARK 500 30 ASP A 109      -96.55    -86.81                                   
REMARK 500 30 SER A 111     -157.77    -76.15                                   
REMARK 500 30 ILE A 112       44.76    -97.14                                   
REMARK 500 30 LEU A 126      -73.33     77.09                                   
REMARK 500 30 LYS A 128     -146.08   -158.23                                   
REMARK 500 30 ASN A 139       36.65     71.46                                   
REMARK 500 30 ALA A 140       44.69    -62.32                                   
REMARK 500 30 LEU A 144     -146.28   -128.01                                   
REMARK 500 30 GLU B  49       21.62    -68.75                                   
REMARK 500 30 ASP B  52       74.07    -69.91                                   
REMARK 500 30 ASN B  53      -36.54    164.02                                   
REMARK 500 30 THR B  54      -47.40     54.13                                   
REMARK 500 30 CYS B  57       -7.79    -58.16                                   
REMARK 500 30 PRO B  62     -176.30    -64.71                                   
REMARK 500 30 ASN B  65       49.78    -97.26                                   
REMARK 500 30 LYS B  75      -31.67   -165.85                                   
REMARK 500 30 GLU B  78      -98.65    -91.65                                   
REMARK 500 30 ARG B  79      141.32     87.58                                   
REMARK 500 30 SER B  98       53.59   -150.68                                   
REMARK 500 30 SER B 102       52.75   -107.84                                   
REMARK 500 30 VAL B 103      -42.10   -144.63                                   
REMARK 500 30 SER B 111     -133.83   -159.62                                   
REMARK 500 30 ILE B 112     -143.18    -81.28                                   
REMARK 500 30 ILE B 113      124.18     59.49                                   
REMARK 500 30 LEU B 126       76.03     61.03                                   
REMARK 500 30 THR B 137     -114.21   -117.97                                   
REMARK 500 30 ASN B 139      -14.15    114.85                                   
REMARK 500 30 ALA B 140        4.90    -62.08                                   
REMARK 500 30 SER B 142     -167.44    -68.64                                   
REMARK 500 30 LEU B 144     -123.19   -118.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A  69         0.10    SIDE_CHAIN                              
REMARK 500  2 HIS B  63         0.11    SIDE_CHAIN                              
REMARK 500  2 ARG B  69         0.12    SIDE_CHAIN                              
REMARK 500  3 HIS B  63         0.11    SIDE_CHAIN                              
REMARK 500  3 ARG B  69         0.12    SIDE_CHAIN                              
REMARK 500  4 ARG A 115         0.09    SIDE_CHAIN                              
REMARK 500  4 HIS B  63         0.12    SIDE_CHAIN                              
REMARK 500  5 ARG B 115         0.22    SIDE_CHAIN                              
REMARK 500  7 ARG A  69         0.18    SIDE_CHAIN                              
REMARK 500  7 ARG B 115         0.21    SIDE_CHAIN                              
REMARK 500  8 HIS A  63         0.14    SIDE_CHAIN                              
REMARK 500  9 ARG B  69         0.14    SIDE_CHAIN                              
REMARK 500  9 ARG B  79         0.13    SIDE_CHAIN                              
REMARK 500  9 ARG B 115         0.08    SIDE_CHAIN                              
REMARK 500  9 ARG B 143         0.09    SIDE_CHAIN                              
REMARK 500 10 HIS B  71         0.08    SIDE_CHAIN                              
REMARK 500 10 ARG B  79         0.08    SIDE_CHAIN                              
REMARK 500 11 ARG A  79         0.10    SIDE_CHAIN                              
REMARK 500 11 ARG B 115         0.09    SIDE_CHAIN                              
REMARK 500 12 ARG B  79         0.11    SIDE_CHAIN                              
REMARK 500 13 PHE B  50         0.08    SIDE_CHAIN                              
REMARK 500 14 HIS A  46         0.14    SIDE_CHAIN                              
REMARK 500 14 ARG B  79         0.09    SIDE_CHAIN                              
REMARK 500 14 ARG B 115         0.12    SIDE_CHAIN                              
REMARK 500 15 ARG A  69         0.16    SIDE_CHAIN                              
REMARK 500 15 HIS B  63         0.08    SIDE_CHAIN                              
REMARK 500 16 HIS A  63         0.12    SIDE_CHAIN                              
REMARK 500 17 ARG A 115         0.12    SIDE_CHAIN                              
REMARK 500 17 ARG A 143         0.08    SIDE_CHAIN                              
REMARK 500 17 ARG B  69         0.12    SIDE_CHAIN                              
REMARK 500 18 ARG A  69         0.08    SIDE_CHAIN                              
REMARK 500 18 ARG A 115         0.08    SIDE_CHAIN                              
REMARK 500 18 ARG B  69         0.11    SIDE_CHAIN                              
REMARK 500 18 HIS B  71         0.11    SIDE_CHAIN                              
REMARK 500 19 ARG A  69         0.10    SIDE_CHAIN                              
REMARK 500 19 ARG B  69         0.09    SIDE_CHAIN                              
REMARK 500 19 ARG B  79         0.10    SIDE_CHAIN                              
REMARK 500 20 ARG A  69         0.13    SIDE_CHAIN                              
REMARK 500 20 ARG A 115         0.08    SIDE_CHAIN                              
REMARK 500 21 ARG A  69         0.16    SIDE_CHAIN                              
REMARK 500 21 ARG B  69         0.21    SIDE_CHAIN                              
REMARK 500 21 ARG B 115         0.12    SIDE_CHAIN                              
REMARK 500 22 ARG A  69         0.13    SIDE_CHAIN                              
REMARK 500 22 ARG B  69         0.18    SIDE_CHAIN                              
REMARK 500 22 ARG B  79         0.12    SIDE_CHAIN                              
REMARK 500 23 ARG A  79         0.13    SIDE_CHAIN                              
REMARK 500 23 ARG A 115         0.07    SIDE_CHAIN                              
REMARK 500 23 ARG B 143         0.08    SIDE_CHAIN                              
REMARK 500 24 HIS B  63         0.09    SIDE_CHAIN                              
REMARK 500 25 HIS B  63         0.09    SIDE_CHAIN                              
REMARK 500 27 HIS B  63         0.08    SIDE_CHAIN                              
REMARK 500 27 ARG B  79         0.10    SIDE_CHAIN                              
REMARK 500 27 ARG B 115         0.10    SIDE_CHAIN                              
REMARK 500 28 ARG A  69         0.21    SIDE_CHAIN                              
REMARK 500 28 ARG A 115         0.12    SIDE_CHAIN                              
REMARK 500 29 ARG A  69         0.21    SIDE_CHAIN                              
REMARK 500 29 HIS B  71         0.09    SIDE_CHAIN                              
REMARK 500 29 ARG B 115         0.09    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 HIS A  63   ND1                                                    
REMARK 620 2 HIS A  71   ND1  98.0                                              
REMARK 620 3 HIS A  80   ND1 107.5 118.0                                        
REMARK 620 4 ASP A  83   OD2 158.9  82.7  90.4                                  
REMARK 620 5 ASP A  83   OD1  98.1 107.6 122.6  62.1                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  ZN B 154  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B  63   ND1                                                    
REMARK 620 2 HIS B  71   ND1  96.0                                              
REMARK 620 3 HIS B  80   ND1 119.2 121.2                                        
REMARK 620 4 ASP B  83   OD2 139.2  87.1  92.6                                  
REMARK 620 N                    1     2     3                                   
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                  
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 154                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: CIRMMP72   RELATED DB: TARGETDB                          
DBREF  2AF2 A    1   153  UNP    P00441   SODC_HUMAN       1    153             
DBREF  2AF2 B    1   153  UNP    P00441   SODC_HUMAN       1    153             
SEQADV 2AF2 ALA A    6  UNP  P00441    CYS     6 ENGINEERED                     
SEQADV 2AF2 SER A  111  UNP  P00441    CYS   111 ENGINEERED                     
SEQADV 2AF2 ALA B    6  UNP  P00441    CYS     6 ENGINEERED                     
SEQADV 2AF2 SER B  111  UNP  P00441    CYS   111 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 PHE GLY 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 GLU SER THR LYS THR GLY ASN ALA GLY SER ARG          
SEQRES  12 A  153  LEU ALA CYS GLY VAL ILE GLY ILE ALA GLN                      
SEQRES   1 B  153  ALA THR LYS ALA VAL ALA VAL LEU LYS GLY ASP GLY PRO          
SEQRES   2 B  153  VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER ASN          
SEQRES   3 B  153  GLY PRO VAL LYS VAL TRP GLY SER ILE LYS GLY LEU THR          
SEQRES   4 B  153  GLU GLY LEU HIS GLY PHE HIS VAL HIS GLU PHE GLY ASP          
SEQRES   5 B  153  ASN THR ALA GLY CYS THR SER ALA GLY PRO HIS PHE ASN          
SEQRES   6 B  153  PRO LEU SER ARG LYS HIS GLY GLY PRO LYS ASP GLU GLU          
SEQRES   7 B  153  ARG HIS VAL GLY ASP LEU GLY ASN VAL THR ALA ASP LYS          
SEQRES   8 B  153  ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL ILE          
SEQRES   9 B  153  SER LEU SER GLY ASP HIS SER ILE ILE GLY ARG THR LEU          
SEQRES  10 B  153  VAL VAL HIS GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY          
SEQRES  11 B  153  ASN GLU GLU SER THR LYS THR GLY ASN ALA GLY SER ARG          
SEQRES  12 B  153  LEU ALA CYS GLY VAL ILE GLY ILE ALA GLN                      
HET     ZN  A 154       1                                                       
HET     ZN  B 154       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   3   ZN    2(ZN 2+)                                                     
HELIX    1   1 GLU A  133  GLY A  138  1                                   6    
HELIX    2   2 ASN B  131  THR B  137  1                                   7    
SHEET    1   A 8 ASP A  83  ASN A  86  0                                        
SHEET    2   A 8 GLY A  44  VAL A  47 -1  N  PHE A  45   O  LEU A  84           
SHEET    3   A 8 THR A 116  HIS A 120 -1  O  HIS A 120   N  GLY A  44           
SHEET    4   A 8 ARG A 143  ILE A 151 -1  O  GLY A 147   N  LEU A 117           
SHEET    5   A 8 THR A   2  LYS A   9 -1  N  VAL A   5   O  GLY A 150           
SHEET    6   A 8 GLN A  15  GLN A  22 -1  O  GLY A  16   N  LEU A   8           
SHEET    7   A 8 VAL A  29  LYS A  36 -1  O  LYS A  30   N  GLU A  21           
SHEET    8   A 8 VAL A  94  ASP A 101 -1  O  VAL A  97   N  GLY A  33           
SHEET    1   B10 GLU B 100  ASP B 101  0                                        
SHEET    2   B10 VAL B  29  LYS B  36 -1  N  VAL B  29   O  ASP B 101           
SHEET    3   B10 VAL B  94  VAL B  97 -1  O  ALA B  95   N  ILE B  35           
SHEET    4   B10 ASN B  86  ASP B  90 -1  N  ASP B  90   O  VAL B  94           
SHEET    5   B10 GLY B  41  HIS B  48 -1  N  HIS B  43   O  VAL B  87           
SHEET    6   B10 THR B 116  VAL B 119 -1  O  VAL B 118   N  HIS B  46           
SHEET    7   B10 CYS B 146  GLN B 153 -1  O  GLY B 147   N  LEU B 117           
SHEET    8   B10 LYS B   3  LYS B   9 -1  N  VAL B   5   O  GLY B 150           
SHEET    9   B10 GLN B  15  GLU B  21 -1  O  ILE B  18   N  ALA B   6           
SHEET   10   B10 VAL B  29  LYS B  36 -1  O  LYS B  36   N  GLN B  15           
LINK        ZN    ZN A 154                 ND1 HIS A  63     1555   1555  2.05  
LINK        ZN    ZN A 154                 ND1 HIS A  71     1555   1555  2.06  
LINK        ZN    ZN A 154                 ND1 HIS A  80     1555   1555  2.10  
LINK        ZN    ZN B 154                 ND1 HIS B  63     1555   1555  2.05  
LINK        ZN    ZN B 154                 ND1 HIS B  71     1555   1555  2.09  
LINK        ZN    ZN B 154                 ND1 HIS B  80     1555   1555  2.22  
LINK        ZN    ZN A 154                 OD2 ASP A  83     1555   1555  2.27  
LINK        ZN    ZN A 154                 OD1 ASP A  83     1555   1555  1.96  
LINK        ZN    ZN B 154                 OD2 ASP B  83     1555   1555  1.99  
SITE     1 AC1  4 HIS A  63  HIS A  71  HIS A  80  ASP A  83                    
SITE     1 AC2  4 HIS B  63  HIS B  71  HIS B  80  ASP B  83                    
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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