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Database: PDB
Entry: 3M0C
LinkDB: 3M0C
Original site: 3M0C 
HEADER    PROTEIN BINDING                         02-MAR-10   3M0C              
TITLE     THE X-RAY CRYSTAL STRUCTURE OF PCSK9 IN COMPLEX WITH THE LDL RECEPTOR 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9;             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: PCSK9;                                                     
COMPND   5 SYNONYM: PROPROTEIN CONVERTASE 9, PC9, SUBTILISIN/KEXIN-LIKE PROTEASE
COMPND   6 PC9, NEURAL APOPTOSIS-REGULATED CONVERTASE 1, NARC-1;                
COMPND   7 EC: 3.4.21.-;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9;             
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: PCSK9;                                                     
COMPND  13 SYNONYM: PROPROTEIN CONVERTASE 9, PC9, SUBTILISIN/KEXIN-LIKE PROTEASE
COMPND  14 PC9, NEURAL APOPTOSIS-REGULATED CONVERTASE 1, NARC-1;                
COMPND  15 EC: 3.4.21.-;                                                        
COMPND  16 ENGINEERED: YES;                                                     
COMPND  17 MUTATION: YES;                                                       
COMPND  18 MOL_ID: 3;                                                           
COMPND  19 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR;                          
COMPND  20 CHAIN: C;                                                            
COMPND  21 FRAGMENT: LDLR;                                                      
COMPND  22 SYNONYM: LDL RECEPTOR;                                               
COMPND  23 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: NARC1, PCSK9, PSEC0052;                                        
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   9 EXPRESSION_SYSTEM_CELL_LINE: HEK293;                                 
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 GENE: NARC1, PCSK9, PSEC0052;                                        
SOURCE  15 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE  16 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE  18 EXPRESSION_SYSTEM_CELL_LINE: HEK293;                                 
SOURCE  19 MOL_ID: 3;                                                           
SOURCE  20 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  21 ORGANISM_COMMON: HUMAN;                                              
SOURCE  22 ORGANISM_TAXID: 9606;                                                
SOURCE  23 GENE: LDLR;                                                          
SOURCE  24 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE  25 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE  26 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE  27 EXPRESSION_SYSTEM_CELL_LINE: HEK293                                  
KEYWDS    PROTEIN COMPLEX, BETA PROPELLER, CHOLESTEROL CLEARANCE, PCSK9, LDLR,  
KEYWDS   2 AUTOCATALYTIC CLEAVAGE, CHOLESTEROL METABOLISM, DISEASE MUTATION,    
KEYWDS   3 DISULFIDE BOND, GLYCOPROTEIN, HYDROLASE, LIPID METABOLISM,           
KEYWDS   4 PHOSPHOPROTEIN, PROTEASE, SECRETED, SERINE PROTEASE, STEROID         
KEYWDS   5 METABOLISM, ZYMOGEN, COATED PIT, EGF-LIKE DOMAIN, ENDOCYTOSIS, HOST- 
KEYWDS   6 VIRUS INTERACTION, LDL, LIPID TRANSPORT, MEMBRANE, RECEPTOR,         
KEYWDS   7 TRANSMEMBRANE, TRANSPORT, PROTEIN BINDING                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.SPRAGGON,E.N.HAMPTON                                                
REVDAT   1   16-MAR-11 3M0C    0                                                
JRNL        AUTH   J.LI,J.A.GAVIGAN,G.ZHENG,W.HUANG,D.YOWE,S.GEISSE,J.L.HARRIS, 
JRNL        AUTH 2 S.A.LESLEY,G.SPRAGGON                                        
JRNL        TITL   THE X-RAY CRYSTAL STRUCTURE OF PCSK9 IN COMPLEX WITH THE LDL 
JRNL        TITL 2 RECEPTOR                                                     
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    7.01 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE)                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 7.01                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 279.64                         
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 82.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 6162                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.342                           
REMARK   3   R VALUE            (WORKING SET) : 0.341                           
REMARK   3   FREE R VALUE                     : 0.362                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.710                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 290                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1279.8677 -  8.8330    0.94     3410   173  0.3037 0.3312        
REMARK   3     2  8.8330 -  7.0100    0.70     2462   117  0.4363 0.4624        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.37                                          
REMARK   3   B_SOL              : 150.00                                        
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 4.320            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL             
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 182.30                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.019           7882                                  
REMARK   3   ANGLE     :  2.286          10672                                  
REMARK   3   CHIRALITY :  0.114           1210                                  
REMARK   3   PLANARITY :  0.010           1396                                  
REMARK   3   DIHEDRAL  : 18.871           2831                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 11                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A                                                
REMARK   3    ORIGIN FOR THE GROUP (A): 110.2597-121.9496 -11.6892              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6859 T22:   1.3633                                     
REMARK   3      T33:   1.2087 T12:  -0.9557                                     
REMARK   3      T13:  -0.0583 T23:  -0.0774                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0628 L22:   1.0177                                     
REMARK   3      L33:   1.4064 L12:   0.7486                                     
REMARK   3      L13:   2.3716 L23:  -2.3198                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5831 S12:   1.1247 S13:  -0.1768                       
REMARK   3      S21:  -0.2337 S22:  -0.4908 S23:   0.2504                       
REMARK   3      S31:   2.7757 S32:  -1.1725 S33:   0.9374                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN B AND RESID 452:531                              
REMARK   3    ORIGIN FOR THE GROUP (A): 119.6647 -88.8230  -5.2715              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9199 T22:   0.0828                                     
REMARK   3      T33:   1.1669 T12:   0.3525                                     
REMARK   3      T13:   0.2841 T23:  -0.4376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7106 L22:   7.3903                                     
REMARK   3      L33:   1.8234 L12:  -3.1966                                     
REMARK   3      L13:   3.9321 L23:  -5.3419                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3172 S12:   1.0338 S13:  -0.5430                       
REMARK   3      S21:   2.0134 S22:  -0.1085 S23:   1.2071                       
REMARK   3      S31:  -1.0076 S32:   0.0639 S33:  -0.2633                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN B AND RESID 532:604                              
REMARK   3    ORIGIN FOR THE GROUP (A): 122.2714 -78.5027   6.6111              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4531 T22:   2.0053                                     
REMARK   3      T33:   1.9595 T12:   0.2247                                     
REMARK   3      T13:   0.7508 T23:  -0.5670                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.7383 L22:   6.1691                                     
REMARK   3      L33:   5.5797 L12:   3.1055                                     
REMARK   3      L13:  -1.8746 L23:  -2.1252                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5758 S12:   0.8807 S13:  -1.1300                       
REMARK   3      S21:   0.4983 S22:  -0.3753 S23:  -0.0518                       
REMARK   3      S31:  -0.6130 S32:  -2.0143 S33:  -0.9370                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN B AND RESID 605:692                              
REMARK   3    ORIGIN FOR THE GROUP (A): 127.9806 -75.4454  -8.8299              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5246 T22:  -0.2771                                     
REMARK   3      T33:   1.5043 T12:   0.3974                                     
REMARK   3      T13:  -0.0922 T23:  -1.0112                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1262 L22:   6.3338                                     
REMARK   3      L33:   1.4971 L12:  -4.7505                                     
REMARK   3      L13:   0.8600 L23:  -1.1252                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -2.3690 S12:   0.1623 S13:  -1.5207                       
REMARK   3      S21:   3.8255 S22:  -0.3122 S23:   1.3081                       
REMARK   3      S31:  -0.5665 S32:  -0.5891 S33:   1.4728                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN B AND RESID 153:449                              
REMARK   3    ORIGIN FOR THE GROUP (A): 131.5864-105.3878 -24.9053              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2703 T22:   1.8503                                     
REMARK   3      T33:   1.9947 T12:  -0.7701                                     
REMARK   3      T13:   0.0011 T23:   0.2346                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9263 L22:   4.3840                                     
REMARK   3      L33:   4.9317 L12:  -2.4662                                     
REMARK   3      L13:  -1.3995 L23:   3.1014                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2212 S12:  -0.1010 S13:   0.6381                       
REMARK   3      S21:   0.7491 S22:   0.1986 S23:   0.2946                       
REMARK   3      S31:   0.5751 S32:   0.5842 S33:   0.2252                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN C AND (RESID 255:291 OR RESID 1003)              
REMARK   3    ORIGIN FOR THE GROUP (A): 159.6315-115.5890 -54.4792              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7222 T22:   2.2961                                     
REMARK   3      T33:   1.8938 T12:   0.1118                                     
REMARK   3      T13:   1.7948 T23:   0.4710                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -3.0144 L22:   1.3553                                     
REMARK   3      L33:  -0.0453 L12:  -1.9553                                     
REMARK   3      L13:   2.9238 L23:  -0.3205                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1866 S12:   0.4991 S13:   0.9694                       
REMARK   3      S21:   0.0473 S22:  -1.9205 S23:  -0.2098                       
REMARK   3      S31:   0.6403 S32:   0.8217 S33:   0.6440                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN C AND (RESID 292:332 OR RESID 1001)              
REMARK   3    ORIGIN FOR THE GROUP (A): 139.4697-107.7534 -50.1782              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.6101 T22:  -0.0242                                     
REMARK   3      T33:   0.8243 T12:   0.7594                                     
REMARK   3      T13:   0.2639 T23:   0.2367                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0477 L22:   5.0242                                     
REMARK   3      L33:   9.6021 L12:  -5.2112                                     
REMARK   3      L13:  -0.6997 L23:  -5.1693                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1005 S12:   0.0128 S13:   1.3824                       
REMARK   3      S21:   4.4140 S22:   1.2499 S23:  -1.4318                       
REMARK   3      S31:  -4.7233 S32:  -1.8071 S33:  -0.7014                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN C AND (RESID 333:357 OR RESID 1002)              
REMARK   3    ORIGIN FOR THE GROUP (A): 116.3659-120.7159 -58.3216              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3746 T22:   1.9891                                     
REMARK   3      T33:   0.8665 T12:  -0.7884                                     
REMARK   3      T13:   0.5016 T23:   0.9486                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7979 L22:   7.3698                                     
REMARK   3      L33:   3.0942 L12:   4.5272                                     
REMARK   3      L13:   4.8429 L23:   8.7552                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.7667 S12:   2.4394 S13:   0.9009                       
REMARK   3      S21:  -2.1769 S22:   2.9169 S23:   1.0760                       
REMARK   3      S31:   0.0502 S32:   1.7182 S33:  -0.4740                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN C AND RESID 358:376                              
REMARK   3    ORIGIN FOR THE GROUP (A): 107.7859-132.9647 -53.3727              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.9613 T22:   0.9482                                     
REMARK   3      T33:   0.3202 T12:  -0.4415                                     
REMARK   3      T13:   0.5595 T23:   0.2373                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.6619 L22:   9.5691                                     
REMARK   3      L33:   6.1769 L12:   6.9655                                     
REMARK   3      L13:  -4.4734 L23:  -2.7154                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -3.3839 S12:   0.3888 S13:  -1.2331                       
REMARK   3      S21:  -2.7912 S22:   1.5218 S23:  -1.7023                       
REMARK   3      S31:  -0.9778 S32:  -2.1399 S33:   1.5423                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 377:643                              
REMARK   3    ORIGIN FOR THE GROUP (A):  88.7392-144.4204 -38.5468              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2442 T22:   1.2273                                     
REMARK   3      T33:   0.3414 T12:  -0.9794                                     
REMARK   3      T13:  -0.0339 T23:   0.0880                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4468 L22:   2.2624                                     
REMARK   3      L33:   1.0967 L12:  -0.1717                                     
REMARK   3      L13:  -0.7323 L23:   0.4550                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2743 S12:   0.9527 S13:   0.0741                       
REMARK   3      S21:  -1.4334 S22:   0.6720 S23:  -0.0278                       
REMARK   3      S31:   1.4359 S32:   0.2117 S33:  -0.4738                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 644:692                              
REMARK   3    ORIGIN FOR THE GROUP (A):  67.0893-139.0334 -52.4328              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8366 T22:   1.2691                                     
REMARK   3      T33:  -1.0076 T12:  -0.8661                                     
REMARK   3      T13:  -0.3063 T23:   1.3306                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4296 L22:   4.6439                                     
REMARK   3      L33:   3.0346 L12:  -2.0249                                     
REMARK   3      L13:  -0.7240 L23:  -1.7739                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7890 S12:   0.1837 S13:   0.8296                       
REMARK   3      S21:   1.5834 S22:  -1.1735 S23:  -0.1939                       
REMARK   3      S31:   0.7035 S32:  -0.1015 S33:  -1.4857                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3M0C COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAR-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB057947.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-APR-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 5.0.3                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9775                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6162                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 7.010                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 279.645                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.1                               
REMARK 200  DATA REDUNDANCY                : 5.800                              
REMARK 200  R MERGE                    (I) : 0.17300                            
REMARK 200  R SYM                      (I) : 0.17300                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 3.2000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 7.01                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 7.38                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.77600                            
REMARK 200  R SYM FOR SHELL            (I) : 0.77600                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 0.600                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRIES 2QTW, 1IJQ                               
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): NULL                                      
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.4 M AMMONIUM PHOSPHATE, 0.2M SODIUM    
REMARK 280  CHLORIDE IN 0.1M IMIDAZOLE BUFFER, PH 8.0, VAPOR DIFFUSION,         
REMARK 280  SITTING DROP, TEMPERATURE 297K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       51.15533            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       25.57767            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       38.36650            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       12.78883            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       63.94417            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     ARG A    29                                                      
REMARK 465     ALA A    30                                                      
REMARK 465     GLN A    31                                                      
REMARK 465     GLU A    32                                                      
REMARK 465     ASP A    33                                                      
REMARK 465     GLU A    34                                                      
REMARK 465     ASP A    35                                                      
REMARK 465     GLY A    36                                                      
REMARK 465     ASP A    37                                                      
REMARK 465     TYR A    38                                                      
REMARK 465     GLU A    39                                                      
REMARK 465     GLU A    40                                                      
REMARK 465     LEU A    41                                                      
REMARK 465     VAL A    42                                                      
REMARK 465     LEU A    43                                                      
REMARK 465     ALA A    44                                                      
REMARK 465     LEU A    45                                                      
REMARK 465     ARG A    46                                                      
REMARK 465     SER A    47                                                      
REMARK 465     GLU A    48                                                      
REMARK 465     GLU A    49                                                      
REMARK 465     ASP A    50                                                      
REMARK 465     GLY A    51                                                      
REMARK 465     LEU A    52                                                      
REMARK 465     ALA A    53                                                      
REMARK 465     GLU A    54                                                      
REMARK 465     ALA A    55                                                      
REMARK 465     PRO A    56                                                      
REMARK 465     GLU A    57                                                      
REMARK 465     HIS A    58                                                      
REMARK 465     GLY A    59                                                      
REMARK 465     THR A    60                                                      
REMARK 465     ALA B   168                                                      
REMARK 465     ASP B   169                                                      
REMARK 465     GLU B   170                                                      
REMARK 465     TYR B   171                                                      
REMARK 465     GLN B   172                                                      
REMARK 465     PRO B   173                                                      
REMARK 465     PRO B   174                                                      
REMARK 465     ASP B   175                                                      
REMARK 465     GLY B   213                                                      
REMARK 465     THR B   214                                                      
REMARK 465     ARG B   215                                                      
REMARK 465     PHE B   216                                                      
REMARK 465     HIS B   217                                                      
REMARK 465     ARG B   218                                                      
REMARK 465     GLN B   219                                                      
REMARK 465     GLY B   450                                                      
REMARK 465     ALA B   451                                                      
REMARK 465     GLY B   572                                                      
REMARK 465     THR B   573                                                      
REMARK 465     HIS B   574                                                      
REMARK 465     LYS B   575                                                      
REMARK 465     PRO B   576                                                      
REMARK 465     PRO B   577                                                      
REMARK 465     VAL B   578                                                      
REMARK 465     LEU B   579                                                      
REMARK 465     ARG B   580                                                      
REMARK 465     PRO B   581                                                      
REMARK 465     ARG B   582                                                      
REMARK 465     GLY B   583                                                      
REMARK 465     ALA B   617                                                      
REMARK 465     PRO B   618                                                      
REMARK 465     GLY B   640                                                      
REMARK 465     THR B   641                                                      
REMARK 465     ASP B   660                                                      
REMARK 465     VAL B   661                                                      
REMARK 465     SER B   662                                                      
REMARK 465     THR B   663                                                      
REMARK 465     THR B   664                                                      
REMARK 465     GLY B   665                                                      
REMARK 465     SER B   666                                                      
REMARK 465     THR B   667                                                      
REMARK 465     SER B   668                                                      
REMARK 465     GLU B   669                                                      
REMARK 465     GLU B   670                                                      
REMARK 465     HIS B   683                                                      
REMARK 465     LEU B   684                                                      
REMARK 465     ALA B   685                                                      
REMARK 465     GLN B   686                                                      
REMARK 465     ALA B   687                                                      
REMARK 465     SER B   688                                                      
REMARK 465     GLN B   689                                                      
REMARK 465     GLU B   690                                                      
REMARK 465     LEU B   691                                                      
REMARK 465     GLN B   692                                                      
REMARK 465     HIS B   693                                                      
REMARK 465     HIS B   694                                                      
REMARK 465     HIS B   695                                                      
REMARK 465     HIS B   696                                                      
REMARK 465     HIS B   697                                                      
REMARK 465     HIS B   698                                                      
REMARK 465     TRP C   -17                                                      
REMARK 465     GLY C   -16                                                      
REMARK 465     TRP C   -15                                                      
REMARK 465     LYS C   -14                                                      
REMARK 465     LEU C   -13                                                      
REMARK 465     ARG C   -12                                                      
REMARK 465     TRP C   -11                                                      
REMARK 465     THR C   -10                                                      
REMARK 465     VAL C    -9                                                      
REMARK 465     ALA C    -8                                                      
REMARK 465     LEU C    -7                                                      
REMARK 465     LEU C    -6                                                      
REMARK 465     LEU C    -5                                                      
REMARK 465     ALA C    -4                                                      
REMARK 465     ALA C    -3                                                      
REMARK 465     ALA C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     THR C     0                                                      
REMARK 465     ALA C     1                                                      
REMARK 465     VAL C     2                                                      
REMARK 465     GLY C     3                                                      
REMARK 465     ASP C     4                                                      
REMARK 465     ARG C     5                                                      
REMARK 465     CYS C     6                                                      
REMARK 465     GLU C     7                                                      
REMARK 465     ARG C     8                                                      
REMARK 465     ASN C     9                                                      
REMARK 465     GLU C    10                                                      
REMARK 465     PHE C    11                                                      
REMARK 465     GLN C    12                                                      
REMARK 465     CYS C    13                                                      
REMARK 465     GLN C    14                                                      
REMARK 465     ASP C    15                                                      
REMARK 465     GLY C    16                                                      
REMARK 465     LYS C    17                                                      
REMARK 465     CYS C    18                                                      
REMARK 465     ILE C    19                                                      
REMARK 465     SER C    20                                                      
REMARK 465     TYR C    21                                                      
REMARK 465     LYS C    22                                                      
REMARK 465     TRP C    23                                                      
REMARK 465     VAL C    24                                                      
REMARK 465     CYS C    25                                                      
REMARK 465     ASP C    26                                                      
REMARK 465     GLY C    27                                                      
REMARK 465     SER C    28                                                      
REMARK 465     ALA C    29                                                      
REMARK 465     GLU C    30                                                      
REMARK 465     CYS C    31                                                      
REMARK 465     GLN C    32                                                      
REMARK 465     ASP C    33                                                      
REMARK 465     GLY C    34                                                      
REMARK 465     SER C    35                                                      
REMARK 465     ASP C    36                                                      
REMARK 465     GLU C    37                                                      
REMARK 465     SER C    38                                                      
REMARK 465     GLN C    39                                                      
REMARK 465     GLU C    40                                                      
REMARK 465     THR C    41                                                      
REMARK 465     CYS C    42                                                      
REMARK 465     LEU C    43                                                      
REMARK 465     SER C    44                                                      
REMARK 465     VAL C    45                                                      
REMARK 465     THR C    46                                                      
REMARK 465     CYS C    47                                                      
REMARK 465     LYS C    48                                                      
REMARK 465     SER C    49                                                      
REMARK 465     GLY C    50                                                      
REMARK 465     ASP C    51                                                      
REMARK 465     PHE C    52                                                      
REMARK 465     SER C    53                                                      
REMARK 465     CYS C    54                                                      
REMARK 465     GLY C    55                                                      
REMARK 465     GLY C    56                                                      
REMARK 465     ARG C    57                                                      
REMARK 465     VAL C    58                                                      
REMARK 465     ASN C    59                                                      
REMARK 465     ARG C    60                                                      
REMARK 465     CYS C    61                                                      
REMARK 465     ILE C    62                                                      
REMARK 465     PRO C    63                                                      
REMARK 465     GLN C    64                                                      
REMARK 465     PHE C    65                                                      
REMARK 465     TRP C    66                                                      
REMARK 465     ARG C    67                                                      
REMARK 465     CYS C    68                                                      
REMARK 465     ASP C    69                                                      
REMARK 465     GLY C    70                                                      
REMARK 465     GLN C    71                                                      
REMARK 465     VAL C    72                                                      
REMARK 465     ASP C    73                                                      
REMARK 465     CYS C    74                                                      
REMARK 465     ASP C    75                                                      
REMARK 465     ASN C    76                                                      
REMARK 465     GLY C    77                                                      
REMARK 465     SER C    78                                                      
REMARK 465     ASP C    79                                                      
REMARK 465     GLU C    80                                                      
REMARK 465     GLN C    81                                                      
REMARK 465     GLY C    82                                                      
REMARK 465     CYS C    83                                                      
REMARK 465     PRO C    84                                                      
REMARK 465     PRO C    85                                                      
REMARK 465     LYS C    86                                                      
REMARK 465     THR C    87                                                      
REMARK 465     CYS C    88                                                      
REMARK 465     SER C    89                                                      
REMARK 465     GLN C    90                                                      
REMARK 465     ASP C    91                                                      
REMARK 465     GLU C    92                                                      
REMARK 465     PHE C    93                                                      
REMARK 465     ARG C    94                                                      
REMARK 465     CYS C    95                                                      
REMARK 465     HIS C    96                                                      
REMARK 465     ASP C    97                                                      
REMARK 465     GLY C    98                                                      
REMARK 465     LYS C    99                                                      
REMARK 465     CYS C   100                                                      
REMARK 465     ILE C   101                                                      
REMARK 465     SER C   102                                                      
REMARK 465     ARG C   103                                                      
REMARK 465     GLN C   104                                                      
REMARK 465     PHE C   105                                                      
REMARK 465     VAL C   106                                                      
REMARK 465     CYS C   107                                                      
REMARK 465     ASP C   108                                                      
REMARK 465     SER C   109                                                      
REMARK 465     ASP C   110                                                      
REMARK 465     ARG C   111                                                      
REMARK 465     ASP C   112                                                      
REMARK 465     CYS C   113                                                      
REMARK 465     LEU C   114                                                      
REMARK 465     ASP C   115                                                      
REMARK 465     GLY C   116                                                      
REMARK 465     SER C   117                                                      
REMARK 465     ASP C   118                                                      
REMARK 465     GLU C   119                                                      
REMARK 465     ALA C   120                                                      
REMARK 465     SER C   121                                                      
REMARK 465     CYS C   122                                                      
REMARK 465     PRO C   123                                                      
REMARK 465     VAL C   124                                                      
REMARK 465     LEU C   125                                                      
REMARK 465     THR C   126                                                      
REMARK 465     CYS C   127                                                      
REMARK 465     GLY C   128                                                      
REMARK 465     PRO C   129                                                      
REMARK 465     ALA C   130                                                      
REMARK 465     SER C   131                                                      
REMARK 465     PHE C   132                                                      
REMARK 465     GLN C   133                                                      
REMARK 465     CYS C   134                                                      
REMARK 465     ASN C   135                                                      
REMARK 465     SER C   136                                                      
REMARK 465     SER C   137                                                      
REMARK 465     THR C   138                                                      
REMARK 465     CYS C   139                                                      
REMARK 465     ILE C   140                                                      
REMARK 465     PRO C   141                                                      
REMARK 465     GLN C   142                                                      
REMARK 465     LEU C   143                                                      
REMARK 465     TRP C   144                                                      
REMARK 465     ALA C   145                                                      
REMARK 465     CYS C   146                                                      
REMARK 465     ASP C   147                                                      
REMARK 465     ASN C   148                                                      
REMARK 465     ASP C   149                                                      
REMARK 465     PRO C   150                                                      
REMARK 465     ASP C   151                                                      
REMARK 465     CYS C   152                                                      
REMARK 465     GLU C   153                                                      
REMARK 465     ASP C   154                                                      
REMARK 465     GLY C   155                                                      
REMARK 465     SER C   156                                                      
REMARK 465     ASP C   157                                                      
REMARK 465     GLU C   158                                                      
REMARK 465     TRP C   159                                                      
REMARK 465     PRO C   160                                                      
REMARK 465     GLN C   161                                                      
REMARK 465     ARG C   162                                                      
REMARK 465     CYS C   163                                                      
REMARK 465     ARG C   164                                                      
REMARK 465     GLY C   165                                                      
REMARK 465     LEU C   166                                                      
REMARK 465     TYR C   167                                                      
REMARK 465     VAL C   168                                                      
REMARK 465     PHE C   169                                                      
REMARK 465     GLN C   170                                                      
REMARK 465     GLY C   171                                                      
REMARK 465     ASP C   172                                                      
REMARK 465     SER C   173                                                      
REMARK 465     SER C   174                                                      
REMARK 465     PRO C   175                                                      
REMARK 465     CYS C   176                                                      
REMARK 465     SER C   177                                                      
REMARK 465     ALA C   178                                                      
REMARK 465     PHE C   179                                                      
REMARK 465     GLU C   180                                                      
REMARK 465     PHE C   181                                                      
REMARK 465     HIS C   182                                                      
REMARK 465     CYS C   183                                                      
REMARK 465     LEU C   184                                                      
REMARK 465     SER C   185                                                      
REMARK 465     GLY C   186                                                      
REMARK 465     GLU C   187                                                      
REMARK 465     CYS C   188                                                      
REMARK 465     ILE C   189                                                      
REMARK 465     HIS C   190                                                      
REMARK 465     SER C   191                                                      
REMARK 465     SER C   192                                                      
REMARK 465     TRP C   193                                                      
REMARK 465     ARG C   194                                                      
REMARK 465     CYS C   195                                                      
REMARK 465     ASP C   196                                                      
REMARK 465     GLY C   197                                                      
REMARK 465     GLY C   198                                                      
REMARK 465     PRO C   199                                                      
REMARK 465     ASP C   200                                                      
REMARK 465     CYS C   201                                                      
REMARK 465     LYS C   202                                                      
REMARK 465     ASP C   203                                                      
REMARK 465     LYS C   204                                                      
REMARK 465     SER C   205                                                      
REMARK 465     ASP C   206                                                      
REMARK 465     GLU C   207                                                      
REMARK 465     GLU C   208                                                      
REMARK 465     ASN C   209                                                      
REMARK 465     CYS C   210                                                      
REMARK 465     ALA C   211                                                      
REMARK 465     VAL C   212                                                      
REMARK 465     ALA C   213                                                      
REMARK 465     THR C   214                                                      
REMARK 465     CYS C   215                                                      
REMARK 465     ARG C   216                                                      
REMARK 465     PRO C   217                                                      
REMARK 465     ASP C   218                                                      
REMARK 465     GLU C   219                                                      
REMARK 465     PHE C   220                                                      
REMARK 465     GLN C   221                                                      
REMARK 465     CYS C   222                                                      
REMARK 465     SER C   223                                                      
REMARK 465     ASP C   224                                                      
REMARK 465     GLY C   225                                                      
REMARK 465     ASN C   226                                                      
REMARK 465     CYS C   227                                                      
REMARK 465     ILE C   228                                                      
REMARK 465     HIS C   229                                                      
REMARK 465     GLY C   230                                                      
REMARK 465     SER C   231                                                      
REMARK 465     ARG C   232                                                      
REMARK 465     GLN C   233                                                      
REMARK 465     CYS C   234                                                      
REMARK 465     ASP C   235                                                      
REMARK 465     ARG C   236                                                      
REMARK 465     GLU C   237                                                      
REMARK 465     TYR C   238                                                      
REMARK 465     ASP C   239                                                      
REMARK 465     CYS C   240                                                      
REMARK 465     LYS C   241                                                      
REMARK 465     ASP C   242                                                      
REMARK 465     MET C   243                                                      
REMARK 465     SER C   244                                                      
REMARK 465     ASP C   245                                                      
REMARK 465     GLU C   246                                                      
REMARK 465     VAL C   247                                                      
REMARK 465     GLY C   248                                                      
REMARK 465     CYS C   249                                                      
REMARK 465     VAL C   250                                                      
REMARK 465     ASN C   251                                                      
REMARK 465     VAL C   252                                                      
REMARK 465     THR C   253                                                      
REMARK 465     LEU C   254                                                      
REMARK 465     ASP C   436                                                      
REMARK 465     ARG C   437                                                      
REMARK 465     ALA C   438                                                      
REMARK 465     HIS C   439                                                      
REMARK 465     GLY C   440                                                      
REMARK 465     VAL C   441                                                      
REMARK 465     SER C   442                                                      
REMARK 465     SER C   443                                                      
REMARK 465     GLU C   693                                                      
REMARK 465     ALA C   694                                                      
REMARK 465     GLU C   695                                                      
REMARK 465     ALA C   696                                                      
REMARK 465     ALA C   697                                                      
REMARK 465     VAL C   698                                                      
REMARK 465     ALA C   699                                                      
REMARK 465     THR C   700                                                      
REMARK 465     GLN C   701                                                      
REMARK 465     GLU C   702                                                      
REMARK 465     THR C   703                                                      
REMARK 465     SER C   704                                                      
REMARK 465     THR C   705                                                      
REMARK 465     VAL C   706                                                      
REMARK 465     ARG C   707                                                      
REMARK 465     LEU C   708                                                      
REMARK 465     LYS C   709                                                      
REMARK 465     VAL C   710                                                      
REMARK 465     SER C   711                                                      
REMARK 465     SER C   712                                                      
REMARK 465     THR C   713                                                      
REMARK 465     ALA C   714                                                      
REMARK 465     VAL C   715                                                      
REMARK 465     ARG C   716                                                      
REMARK 465     THR C   717                                                      
REMARK 465     GLN C   718                                                      
REMARK 465     HIS C   719                                                      
REMARK 465     THR C   720                                                      
REMARK 465     THR C   721                                                      
REMARK 465     THR C   722                                                      
REMARK 465     ARG C   723                                                      
REMARK 465     PRO C   724                                                      
REMARK 465     VAL C   725                                                      
REMARK 465     PRO C   726                                                      
REMARK 465     ASP C   727                                                      
REMARK 465     THR C   728                                                      
REMARK 465     SER C   729                                                      
REMARK 465     ARG C   730                                                      
REMARK 465     LEU C   731                                                      
REMARK 465     PRO C   732                                                      
REMARK 465     GLY C   733                                                      
REMARK 465     ALA C   734                                                      
REMARK 465     THR C   735                                                      
REMARK 465     PRO C   736                                                      
REMARK 465     GLY C   737                                                      
REMARK 465     LEU C   738                                                      
REMARK 465     THR C   739                                                      
REMARK 465     THR C   740                                                      
REMARK 465     VAL C   741                                                      
REMARK 465     GLU C   742                                                      
REMARK 465     ILE C   743                                                      
REMARK 465     VAL C   744                                                      
REMARK 465     THR C   745                                                      
REMARK 465     MET C   746                                                      
REMARK 465     SER C   747                                                      
REMARK 465     HIS C   748                                                      
REMARK 465     GLN C   749                                                      
REMARK 465     ALA C   750                                                      
REMARK 465     LEU C   751                                                      
REMARK 465     GLY C   752                                                      
REMARK 465     ASP C   753                                                      
REMARK 465     VAL C   754                                                      
REMARK 465     ALA C   755                                                      
REMARK 465     GLY C   756                                                      
REMARK 465     ARG C   757                                                      
REMARK 465     GLY C   758                                                      
REMARK 465     ASN C   759                                                      
REMARK 465     GLU C   760                                                      
REMARK 465     LYS C   761                                                      
REMARK 465     LYS C   762                                                      
REMARK 465     PRO C   763                                                      
REMARK 465     SER C   764                                                      
REMARK 465     SER C   765                                                      
REMARK 465     VAL C   766                                                      
REMARK 465     ARG C   767                                                      
REMARK 465     HIS C   768                                                      
REMARK 465     HIS C   769                                                      
REMARK 465     HIS C   770                                                      
REMARK 465     HIS C   771                                                      
REMARK 465     HIS C   772                                                      
REMARK 465     HIS C   773                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS C 262    CG   CD   CE   NZ                                   
REMARK 470     ASP C 272    CG   OD1  OD2                                       
REMARK 470     ARG C 282    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     TRP C 284    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP C 284    CZ3  CH2                                            
REMARK 470     LYS C 355    CG   CD   CE   NZ                                   
REMARK 470     LYS C 369    CG   CD   CE   NZ                                   
REMARK 470     LYS C 372    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   SG   CYS C   275     SG   CYS C   292              1.55            
REMARK 500   O    PRO C   340     N    THR C   342              1.58            
REMARK 500   O    SER B   153     O    LEU C   298              1.82            
REMARK 500   OG1  THR B   377     ND2  ASN C   309              1.91            
REMARK 500   CZ   PHE C   323     OE2  GLU C   351              1.94            
REMARK 500   O    GLY C   375     NE2  HIS C   635              2.04            
REMARK 500   O    ASN C   644     N    CYS C   646              2.08            
REMARK 500   OD1  ASP C   339     CG2  THR C   342              2.11            
REMARK 500   N    ASP C   280     OD2  ASP C   286              2.13            
REMARK 500   CE2  PHE C   323     OE2  GLU C   351              2.14            
REMARK 500   O    PHE C   261     O    GLU C   267              2.16            
REMARK 500   N    ARG C   487     OH   TYR C   658              2.17            
REMARK 500   CB   CYS C   343     SG   CYS C   356              2.18            
REMARK 500   C    CYS C   337     OG1  THR C   342              2.19            
REMARK 500   CD1  ILE B   369     OD1  ASN C   301              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   CA   PRO B   164     CA   TRP C   284     3655     1.95            
REMARK 500   CA   PRO B   164     CB   TRP C   284     3655     1.98            
REMARK 500   CB   PRO B   164     O    ASP C   286     3655     2.01            
REMARK 500   CZ   ARG A   105     OD1  ASP C   530     4545     2.07            
REMARK 500   C    PRO B   164     CB   TRP C   284     3655     2.08            
REMARK 500   O    PRO B   163     CB   TRP C   284     3655     2.10            
REMARK 500   NE   ARG A   105     OD1  ASP C   530     4545     2.15            
REMARK 500   CB   ARG C   282     NE   ARG B   160     2544     2.17            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    CYS B 654   CB    CYS B 654   SG     -0.103                       
REMARK 500    CYS C 343   CB    CYS C 343   SG     -0.142                       
REMARK 500    TYR C 444   N     TYR C 444   CA     -0.341                       
REMARK 500    ARG C 487   CD    ARG C 487   NE     -0.292                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    LEU B 179   CA  -  CB  -  CG  ANGL. DEV. =  14.8 DEGREES          
REMARK 500    CYS C 263   CA  -  CB  -  SG  ANGL. DEV. =   9.4 DEGREES          
REMARK 500    ASP C 272   N   -  CA  -  C   ANGL. DEV. = -16.2 DEGREES          
REMARK 500    CYS C 275   CA  -  CB  -  SG  ANGL. DEV. =   7.4 DEGREES          
REMARK 500    CYS C 281   N   -  CA  -  C   ANGL. DEV. = -16.8 DEGREES          
REMARK 500    PRO C 288   C   -  N   -  CA  ANGL. DEV. = -11.3 DEGREES          
REMARK 500    LEU C 346   N   -  CA  -  C   ANGL. DEV. =  19.7 DEGREES          
REMARK 500    PRO C 366   C   -  N   -  CA  ANGL. DEV. =  19.7 DEGREES          
REMARK 500    PRO C 366   C   -  N   -  CD  ANGL. DEV. = -16.3 DEGREES          
REMARK 500    HIS C 367   N   -  CA  -  C   ANGL. DEV. = -18.0 DEGREES          
REMARK 500    ARG C 428   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.5 DEGREES          
REMARK 500    TYR C 444   N   -  CA  -  CB  ANGL. DEV. =  12.0 DEGREES          
REMARK 500    ARG C 499   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500    THR C 517   CA  -  C   -  O   ANGL. DEV. = -18.1 DEGREES          
REMARK 500    PRO C 518   CA  -  N   -  CD  ANGL. DEV. =  -9.3 DEGREES          
REMARK 500    PRO C 518   N   -  CA  -  CB  ANGL. DEV. =  11.1 DEGREES          
REMARK 500    PRO C 518   N   -  CD  -  CG  ANGL. DEV. =   7.9 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    HIS A 139       -4.68     73.56                                   
REMARK 500    ASP B 186     -157.04   -162.52                                   
REMARK 500    GLU B 197      124.18    -31.86                                   
REMARK 500    ALA B 242       73.59   -112.04                                   
REMARK 500    VAL B 280     -148.28   -126.81                                   
REMARK 500    LEU B 351     -139.85   -117.38                                   
REMARK 500    GLN B 503      113.98   -169.75                                   
REMARK 500    SER B 545      -89.92     76.30                                   
REMARK 500    PRO B 585      127.03    -36.56                                   
REMARK 500    ASP B 651     -114.82     55.95                                   
REMARK 500    PRO C 258       73.74    -55.20                                   
REMARK 500    CYS C 263       99.64    -40.05                                   
REMARK 500    HIS C 264      106.70    -52.73                                   
REMARK 500    LEU C 271       16.63   -176.48                                   
REMARK 500    VAL C 274       91.40    -68.82                                   
REMARK 500    MET C 277       60.34     23.18                                   
REMARK 500    ALA C 278      142.25   -174.83                                   
REMARK 500    ASP C 280       55.23   -117.64                                   
REMARK 500    CYS C 281      136.33    170.37                                   
REMARK 500    ARG C 282       34.80    -66.01                                   
REMARK 500    TRP C 284       28.28    -75.25                                   
REMARK 500    GLU C 287       40.80     90.58                                   
REMARK 500    GLU C 291       64.63    105.13                                   
REMARK 500    LEU C 298        6.58    -56.25                                   
REMARK 500    ASN C 300       48.74     27.27                                   
REMARK 500    HIS C 306      -71.96   -120.75                                   
REMARK 500    PRO C 320     -151.19    -80.01                                   
REMARK 500    ARG C 329      -50.69   -137.54                                   
REMARK 500    CYS C 331      121.01   -177.16                                   
REMARK 500    ASP C 335      101.42     -3.61                                   
REMARK 500    GLU C 336       57.99    -94.67                                   
REMARK 500    PRO C 340      -95.67    -50.76                                   
REMARK 500    ASP C 341       39.08     -4.12                                   
REMARK 500    GLN C 345       76.62     77.52                                   
REMARK 500    LEU C 350     -155.44   -123.68                                   
REMARK 500    LYS C 355      136.25   -173.99                                   
REMARK 500    CYS C 356       99.53    -66.74                                   
REMARK 500    GLU C 360       80.32     68.17                                   
REMARK 500    PRO C 366       29.74    -22.31                                   
REMARK 500    HIS C 367       27.99   -152.54                                   
REMARK 500    THR C 368     -166.15   -174.27                                   
REMARK 500    LYS C 369       28.90   -144.81                                   
REMARK 500    VAL C 374     -127.45    -58.40                                   
REMARK 500    ARG C 385      -61.86     68.20                                   
REMARK 500    ASN C 407       67.96   -156.30                                   
REMARK 500    ARG C 428       73.53     57.40                                   
REMARK 500    ARG C 499      -91.03   -130.72                                   
REMARK 500    VAL C 529      -66.27    -98.61                                   
REMARK 500    GLN C 540      -57.25   -130.26                                   
REMARK 500    ASN C 543      -93.88   -109.53                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      59 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLY B  244     ALA B  245                 -107.21                    
REMARK 500 LYS B  494     ARG B  495                 -149.88                    
REMARK 500 THR C  517     PRO C  518                   38.87                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    THR C 517         20.00                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500    HIS B 557        23.1      L          L   OUTSIDE RANGE           
REMARK 500    LEU C 346        21.1      L          L   OUTSIDE RANGE           
REMARK 500    PRO C 366        24.9      L          L   OUTSIDE RANGE           
REMARK 500    TYR C 444        17.5      L          L   OUTSIDE RANGE           
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                              CA C1001  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C 310   OD2                                                    
REMARK 620 2 LEU C 311   O    97.5                                              
REMARK 620 3 GLY C 314   O   108.0  75.2                                        
REMARK 620 4 GLU C 296   OE1  95.7 145.5  70.4                                  
REMARK 620 5 THR C 294   O    88.8 150.4 130.2  61.3                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C1002  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 LEU C 350   O                                                      
REMARK 620 2 ASP C 333   OD2  94.1                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C1003  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C 286   OD1                                                    
REMARK 620 2 LYS C 273   O   109.0                                              
REMARK 620 3 GLU C 287   OE2  63.2 100.4                                        
REMARK 620 4 ASP C 280   OD2 119.4 128.9 114.8                                  
REMARK 620 5 ASN C 276   OD1 117.5  82.1  54.4  89.3                            
REMARK 620 6 ASP C 286   OD2  43.7 150.1  79.0  75.7 118.9                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA C 1001                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA C 1002                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA C 1003                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2QTW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1N7D   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3GCX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1IJQ   RELATED DB: PDB                                   
DBREF  3M0C A   29   152  UNP    Q8NBP7   PCSK9_HUMAN     29    152             
DBREF  3M0C B  153   692  UNP    Q8NBP7   PCSK9_HUMAN    153    692             
DBREF  3M0C C  -17   767  UNP    P01130   LDLR_HUMAN       4    788             
SEQADV 3M0C TYR B  374  UNP  Q8NBP7    ASP   374 ENGINEERED                     
SEQADV 3M0C HIS B  693  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS B  694  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS B  695  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS B  696  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS B  697  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS B  698  UNP  Q8NBP7              EXPRESSION TAG                 
SEQADV 3M0C HIS C  768  UNP  P01130              EXPRESSION TAG                 
SEQADV 3M0C HIS C  769  UNP  P01130              EXPRESSION TAG                 
SEQADV 3M0C HIS C  770  UNP  P01130              EXPRESSION TAG                 
SEQADV 3M0C HIS C  771  UNP  P01130              EXPRESSION TAG                 
SEQADV 3M0C HIS C  772  UNP  P01130              EXPRESSION TAG                 
SEQADV 3M0C HIS C  773  UNP  P01130              EXPRESSION TAG                 
SEQRES   1 A  124  ARG ALA GLN GLU ASP GLU ASP GLY ASP TYR GLU GLU LEU          
SEQRES   2 A  124  VAL LEU ALA LEU ARG SER GLU GLU ASP GLY LEU ALA GLU          
SEQRES   3 A  124  ALA PRO GLU HIS GLY THR THR ALA THR PHE HIS ARG CYS          
SEQRES   4 A  124  ALA LYS ASP PRO TRP ARG LEU PRO GLY THR TYR VAL VAL          
SEQRES   5 A  124  VAL LEU LYS GLU GLU THR HIS LEU SER GLN SER GLU ARG          
SEQRES   6 A  124  THR ALA ARG ARG LEU GLN ALA GLN ALA ALA ARG ARG GLY          
SEQRES   7 A  124  TYR LEU THR LYS ILE LEU HIS VAL PHE HIS GLY LEU LEU          
SEQRES   8 A  124  PRO GLY PHE LEU VAL LYS MET SER GLY ASP LEU LEU GLU          
SEQRES   9 A  124  LEU ALA LEU LYS LEU PRO HIS VAL ASP TYR ILE GLU GLU          
SEQRES  10 A  124  ASP SER SER VAL PHE ALA GLN                                  
SEQRES   1 B  546  SER ILE PRO TRP ASN LEU GLU ARG ILE THR PRO PRO ARG          
SEQRES   2 B  546  TYR ARG ALA ASP GLU TYR GLN PRO PRO ASP GLY GLY SER          
SEQRES   3 B  546  LEU VAL GLU VAL TYR LEU LEU ASP THR SER ILE GLN SER          
SEQRES   4 B  546  ASP HIS ARG GLU ILE GLU GLY ARG VAL MET VAL THR ASP          
SEQRES   5 B  546  PHE GLU ASN VAL PRO GLU GLU ASP GLY THR ARG PHE HIS          
SEQRES   6 B  546  ARG GLN ALA SER LYS CYS ASP SER HIS GLY THR HIS LEU          
SEQRES   7 B  546  ALA GLY VAL VAL SER GLY ARG ASP ALA GLY VAL ALA LYS          
SEQRES   8 B  546  GLY ALA SER MET ARG SER LEU ARG VAL LEU ASN CYS GLN          
SEQRES   9 B  546  GLY LYS GLY THR VAL SER GLY THR LEU ILE GLY LEU GLU          
SEQRES  10 B  546  PHE ILE ARG LYS SER GLN LEU VAL GLN PRO VAL GLY PRO          
SEQRES  11 B  546  LEU VAL VAL LEU LEU PRO LEU ALA GLY GLY TYR SER ARG          
SEQRES  12 B  546  VAL LEU ASN ALA ALA CYS GLN ARG LEU ALA ARG ALA GLY          
SEQRES  13 B  546  VAL VAL LEU VAL THR ALA ALA GLY ASN PHE ARG ASP ASP          
SEQRES  14 B  546  ALA CYS LEU TYR SER PRO ALA SER ALA PRO GLU VAL ILE          
SEQRES  15 B  546  THR VAL GLY ALA THR ASN ALA GLN ASP GLN PRO VAL THR          
SEQRES  16 B  546  LEU GLY THR LEU GLY THR ASN PHE GLY ARG CYS VAL ASP          
SEQRES  17 B  546  LEU PHE ALA PRO GLY GLU ASP ILE ILE GLY ALA SER SER          
SEQRES  18 B  546  TYR CYS SER THR CYS PHE VAL SER GLN SER GLY THR SER          
SEQRES  19 B  546  GLN ALA ALA ALA HIS VAL ALA GLY ILE ALA ALA MET MET          
SEQRES  20 B  546  LEU SER ALA GLU PRO GLU LEU THR LEU ALA GLU LEU ARG          
SEQRES  21 B  546  GLN ARG LEU ILE HIS PHE SER ALA LYS ASP VAL ILE ASN          
SEQRES  22 B  546  GLU ALA TRP PHE PRO GLU ASP GLN ARG VAL LEU THR PRO          
SEQRES  23 B  546  ASN LEU VAL ALA ALA LEU PRO PRO SER THR HIS GLY ALA          
SEQRES  24 B  546  GLY TRP GLN LEU PHE CYS ARG THR VAL TRP SER ALA HIS          
SEQRES  25 B  546  SER GLY PRO THR ARG MET ALA THR ALA ILE ALA ARG CYS          
SEQRES  26 B  546  ALA PRO ASP GLU GLU LEU LEU SER CYS SER SER PHE SER          
SEQRES  27 B  546  ARG SER GLY LYS ARG ARG GLY GLU ARG MET GLU ALA GLN          
SEQRES  28 B  546  GLY GLY LYS LEU VAL CYS ARG ALA HIS ASN ALA PHE GLY          
SEQRES  29 B  546  GLY GLU GLY VAL TYR ALA ILE ALA ARG CYS CYS LEU LEU          
SEQRES  30 B  546  PRO GLN ALA ASN CYS SER VAL HIS THR ALA PRO PRO ALA          
SEQRES  31 B  546  GLU ALA SER MET GLY THR ARG VAL HIS CYS HIS GLN GLN          
SEQRES  32 B  546  GLY HIS VAL LEU THR GLY CYS SER SER HIS TRP GLU VAL          
SEQRES  33 B  546  GLU ASP LEU GLY THR HIS LYS PRO PRO VAL LEU ARG PRO          
SEQRES  34 B  546  ARG GLY GLN PRO ASN GLN CYS VAL GLY HIS ARG GLU ALA          
SEQRES  35 B  546  SER ILE HIS ALA SER CYS CYS HIS ALA PRO GLY LEU GLU          
SEQRES  36 B  546  CYS LYS VAL LYS GLU HIS GLY ILE PRO ALA PRO GLN GLU          
SEQRES  37 B  546  GLN VAL THR VAL ALA CYS GLU GLU GLY TRP THR LEU THR          
SEQRES  38 B  546  GLY CYS SER ALA LEU PRO GLY THR SER HIS VAL LEU GLY          
SEQRES  39 B  546  ALA TYR ALA VAL ASP ASN THR CYS VAL VAL ARG SER ARG          
SEQRES  40 B  546  ASP VAL SER THR THR GLY SER THR SER GLU GLU ALA VAL          
SEQRES  41 B  546  THR ALA VAL ALA ILE CYS CYS ARG SER ARG HIS LEU ALA          
SEQRES  42 B  546  GLN ALA SER GLN GLU LEU GLN HIS HIS HIS HIS HIS HIS          
SEQRES   1 C  791  TRP GLY TRP LYS LEU ARG TRP THR VAL ALA LEU LEU LEU          
SEQRES   2 C  791  ALA ALA ALA GLY THR ALA VAL GLY ASP ARG CYS GLU ARG          
SEQRES   3 C  791  ASN GLU PHE GLN CYS GLN ASP GLY LYS CYS ILE SER TYR          
SEQRES   4 C  791  LYS TRP VAL CYS ASP GLY SER ALA GLU CYS GLN ASP GLY          
SEQRES   5 C  791  SER ASP GLU SER GLN GLU THR CYS LEU SER VAL THR CYS          
SEQRES   6 C  791  LYS SER GLY ASP PHE SER CYS GLY GLY ARG VAL ASN ARG          
SEQRES   7 C  791  CYS ILE PRO GLN PHE TRP ARG CYS ASP GLY GLN VAL ASP          
SEQRES   8 C  791  CYS ASP ASN GLY SER ASP GLU GLN GLY CYS PRO PRO LYS          
SEQRES   9 C  791  THR CYS SER GLN ASP GLU PHE ARG CYS HIS ASP GLY LYS          
SEQRES  10 C  791  CYS ILE SER ARG GLN PHE VAL CYS ASP SER ASP ARG ASP          
SEQRES  11 C  791  CYS LEU ASP GLY SER ASP GLU ALA SER CYS PRO VAL LEU          
SEQRES  12 C  791  THR CYS GLY PRO ALA SER PHE GLN CYS ASN SER SER THR          
SEQRES  13 C  791  CYS ILE PRO GLN LEU TRP ALA CYS ASP ASN ASP PRO ASP          
SEQRES  14 C  791  CYS GLU ASP GLY SER ASP GLU TRP PRO GLN ARG CYS ARG          
SEQRES  15 C  791  GLY LEU TYR VAL PHE GLN GLY ASP SER SER PRO CYS SER          
SEQRES  16 C  791  ALA PHE GLU PHE HIS CYS LEU SER GLY GLU CYS ILE HIS          
SEQRES  17 C  791  SER SER TRP ARG CYS ASP GLY GLY PRO ASP CYS LYS ASP          
SEQRES  18 C  791  LYS SER ASP GLU GLU ASN CYS ALA VAL ALA THR CYS ARG          
SEQRES  19 C  791  PRO ASP GLU PHE GLN CYS SER ASP GLY ASN CYS ILE HIS          
SEQRES  20 C  791  GLY SER ARG GLN CYS ASP ARG GLU TYR ASP CYS LYS ASP          
SEQRES  21 C  791  MET SER ASP GLU VAL GLY CYS VAL ASN VAL THR LEU CYS          
SEQRES  22 C  791  GLU GLY PRO ASN LYS PHE LYS CYS HIS SER GLY GLU CYS          
SEQRES  23 C  791  ILE THR LEU ASP LYS VAL CYS ASN MET ALA ARG ASP CYS          
SEQRES  24 C  791  ARG ASP TRP SER ASP GLU PRO ILE LYS GLU CYS GLY THR          
SEQRES  25 C  791  ASN GLU CYS LEU ASP ASN ASN GLY GLY CYS SER HIS VAL          
SEQRES  26 C  791  CYS ASN ASP LEU LYS ILE GLY TYR GLU CYS LEU CYS PRO          
SEQRES  27 C  791  ASP GLY PHE GLN LEU VAL ALA GLN ARG ARG CYS GLU ASP          
SEQRES  28 C  791  ILE ASP GLU CYS GLN ASP PRO ASP THR CYS SER GLN LEU          
SEQRES  29 C  791  CYS VAL ASN LEU GLU GLY GLY TYR LYS CYS GLN CYS GLU          
SEQRES  30 C  791  GLU GLY PHE GLN LEU ASP PRO HIS THR LYS ALA CYS LYS          
SEQRES  31 C  791  ALA VAL GLY SER ILE ALA TYR LEU PHE PHE THR ASN ARG          
SEQRES  32 C  791  HIS GLU VAL ARG LYS MET THR LEU ASP ARG SER GLU TYR          
SEQRES  33 C  791  THR SER LEU ILE PRO ASN LEU ARG ASN VAL VAL ALA LEU          
SEQRES  34 C  791  ASP THR GLU VAL ALA SER ASN ARG ILE TYR TRP SER ASP          
SEQRES  35 C  791  LEU SER GLN ARG MET ILE CYS SER THR GLN LEU ASP ARG          
SEQRES  36 C  791  ALA HIS GLY VAL SER SER TYR ASP THR VAL ILE SER ARG          
SEQRES  37 C  791  ASP ILE GLN ALA PRO ASP GLY LEU ALA VAL ASP TRP ILE          
SEQRES  38 C  791  HIS SER ASN ILE TYR TRP THR ASP SER VAL LEU GLY THR          
SEQRES  39 C  791  VAL SER VAL ALA ASP THR LYS GLY VAL LYS ARG LYS THR          
SEQRES  40 C  791  LEU PHE ARG GLU ASN GLY SER LYS PRO ARG ALA ILE VAL          
SEQRES  41 C  791  VAL ASP PRO VAL HIS GLY PHE MET TYR TRP THR ASP TRP          
SEQRES  42 C  791  GLY THR PRO ALA LYS ILE LYS LYS GLY GLY LEU ASN GLY          
SEQRES  43 C  791  VAL ASP ILE TYR SER LEU VAL THR GLU ASN ILE GLN TRP          
SEQRES  44 C  791  PRO ASN GLY ILE THR LEU ASP LEU LEU SER GLY ARG LEU          
SEQRES  45 C  791  TYR TRP VAL ASP SER LYS LEU HIS SER ILE SER SER ILE          
SEQRES  46 C  791  ASP VAL ASN GLY GLY ASN ARG LYS THR ILE LEU GLU ASP          
SEQRES  47 C  791  GLU LYS ARG LEU ALA HIS PRO PHE SER LEU ALA VAL PHE          
SEQRES  48 C  791  GLU ASP LYS VAL PHE TRP THR ASP ILE ILE ASN GLU ALA          
SEQRES  49 C  791  ILE PHE SER ALA ASN ARG LEU THR GLY SER ASP VAL ASN          
SEQRES  50 C  791  LEU LEU ALA GLU ASN LEU LEU SER PRO GLU ASP MET VAL          
SEQRES  51 C  791  LEU PHE HIS ASN LEU THR GLN PRO ARG GLY VAL ASN TRP          
SEQRES  52 C  791  CYS GLU ARG THR THR LEU SER ASN GLY GLY CYS GLN TYR          
SEQRES  53 C  791  LEU CYS LEU PRO ALA PRO GLN ILE ASN PRO HIS SER PRO          
SEQRES  54 C  791  LYS PHE THR CYS ALA CYS PRO ASP GLY MET LEU LEU ALA          
SEQRES  55 C  791  ARG ASP MET ARG SER CYS LEU THR GLU ALA GLU ALA ALA          
SEQRES  56 C  791  VAL ALA THR GLN GLU THR SER THR VAL ARG LEU LYS VAL          
SEQRES  57 C  791  SER SER THR ALA VAL ARG THR GLN HIS THR THR THR ARG          
SEQRES  58 C  791  PRO VAL PRO ASP THR SER ARG LEU PRO GLY ALA THR PRO          
SEQRES  59 C  791  GLY LEU THR THR VAL GLU ILE VAL THR MET SER HIS GLN          
SEQRES  60 C  791  ALA LEU GLY ASP VAL ALA GLY ARG GLY ASN GLU LYS LYS          
SEQRES  61 C  791  PRO SER SER VAL ARG HIS HIS HIS HIS HIS HIS                  
HET     CA  C1001       1                                                       
HET     CA  C1002       1                                                       
HET     CA  C1003       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   4   CA    3(CA 2+)                                                     
HELIX    1   1 LYS A   69  PRO A   71  5                                   3    
HELIX    2   2 HIS A   87  ARG A  105  1                                  19    
HELIX    3   3 SER A  127  ASP A  129  5                                   3    
HELIX    4   4 LEU A  130  LYS A  136  1                                   7    
HELIX    5   5 PRO B  155  ILE B  161  1                                   7    
HELIX    6   6 ASP B  224  GLY B  236  1                                  13    
HELIX    7   7 VAL B  261  GLN B  278  1                                  18    
HELIX    8   8 SER B  294  ALA B  307  1                                  14    
HELIX    9   9 ASP B  321  CYS B  323  5                                   3    
HELIX   10  10 GLY B  384  GLU B  403  1                                  20    
HELIX   11  11 THR B  407  PHE B  418  1                                  12    
HELIX   12  12 ASN B  425  PHE B  429  5                                   5    
HELIX   13  13 PRO B  430  ARG B  434  5                                   5    
HELIX   14  14 ASP C  299  CYS C  304  5                                   6    
HELIX   15  15 HIS C  635  GLN C  639  5                                   5    
HELIX   16  16 LEU C  651  CYS C  656  5                                   6    
SHEET    1   A 3 THR A  63  HIS A  65  0                                        
SHEET    2   A 3 VAL A 140  ALA A 151  1  O  ILE A 143   N  HIS A  65           
SHEET    3   A 3 LYS B 258  THR B 260 -1  O  GLY B 259   N  VAL A 149           
SHEET    1   B 6 LYS A 110  PHE A 115  0                                        
SHEET    2   B 6 GLY A 121  LYS A 125 -1  O  LYS A 125   N  LYS A 110           
SHEET    3   B 6 ARG A  73  LEU A  82 -1  N  VAL A  80   O  PHE A 122           
SHEET    4   B 6 VAL A 140  ALA A 151 -1  O  TYR A 142   N  VAL A  81           
SHEET    5   B 6 LEU B 289  GLY B 292 -1  O  ALA B 290   N  PHE A 150           
SHEET    6   B 6 TYR B 325  SER B 326 -1  O  SER B 326   N  GLY B 291           
SHEET    1   C 7 VAL B 200  GLU B 206  0                                        
SHEET    2   C 7 SER B 246  ARG B 251  1  O  MET B 247   N  MET B 201           
SHEET    3   C 7 GLU B 181  ASP B 186  1  N  LEU B 184   O  LEU B 250           
SHEET    4   C 7 LEU B 283  LEU B 287  1  O  VAL B 284   N  TYR B 183           
SHEET    5   C 7 VAL B 310  ALA B 314  1  O  VAL B 310   N  VAL B 285           
SHEET    6   C 7 ILE B 334  THR B 339  1  O  ILE B 334   N  LEU B 311           
SHEET    7   C 7 LEU B 361  PRO B 364  1  O  LEU B 361   N  GLY B 337           
SHEET    1   D 2 THR B 347  LEU B 348  0                                        
SHEET    2   D 2 LEU B 351  GLY B 352 -1  O  LEU B 351   N  LEU B 348           
SHEET    1   E 4 ILE B 368  ALA B 371  0                                        
SHEET    2   E 4 CYS B 378  GLN B 382 -1  O  GLN B 382   N  ILE B 368           
SHEET    3   E 4 VAL C 307  ASP C 310 -1  O  CYS C 308   N  PHE B 379           
SHEET    4   E 4 TYR C 315  LEU C 318 -1  O  GLU C 316   N  ASN C 309           
SHEET    1   F 2 ALA B 420  LYS B 421  0                                        
SHEET    2   F 2 LEU B 440  VAL B 441 -1  O  VAL B 441   N  ALA B 420           
SHEET    1   G 3 PHE B 456  TRP B 461  0                                        
SHEET    2   G 3 TYR B 521  LEU B 528 -1  O  ALA B 524   N  VAL B 460           
SHEET    3   G 3 GLU B 482  PHE B 489 -1  N  GLU B 482   O  CYS B 527           
SHEET    1   H 3 THR B 472  ALA B 475  0                                        
SHEET    2   H 3 LYS B 506  ASN B 513 -1  O  ALA B 511   N  ALA B 473           
SHEET    3   H 3 ARG B 495  GLN B 503 -1  N  ARG B 499   O  ARG B 510           
SHEET    1   I 3 ASN B 533  ALA B 539  0                                        
SHEET    2   I 3 SER B 595  HIS B 602 -1  O  HIS B 602   N  ASN B 533           
SHEET    3   I 3 VAL B 558  HIS B 565 -1  N  SER B 563   O  HIS B 597           
SHEET    1   J 2 THR B 548  HIS B 551  0                                        
SHEET    2   J 2 GLN B 587  GLY B 590 -1  O  GLY B 590   N  THR B 548           
SHEET    1   K 3 LEU B 606  ILE B 615  0                                        
SHEET    2   K 3 VAL B 672  SER B 681 -1  O  ALA B 676   N  LYS B 611           
SHEET    3   K 3 THR B 631  ALA B 637 -1  N  THR B 631   O  CYS B 679           
SHEET    1   L 3 GLN B 621  ALA B 625  0                                        
SHEET    2   L 3 THR B 653  SER B 658 -1  O  CYS B 654   N  VAL B 624           
SHEET    3   L 3 VAL B 644  VAL B 650 -1  N  VAL B 650   O  THR B 653           
SHEET    1   M 2 GLN C 324  VAL C 326  0                                        
SHEET    2   M 2 ARG C 330  GLU C 332 -1  O  ARG C 330   N  VAL C 326           
SHEET    1   N 2 PHE C 362  GLN C 363  0                                        
SHEET    2   N 2 LYS C 372  ALA C 373 -1  O  LYS C 372   N  GLN C 363           
SHEET    1   O 4 THR C 399  ILE C 402  0                                        
SHEET    2   O 4 VAL C 388  MET C 391 -1  N  LYS C 390   O  THR C 399           
SHEET    3   O 4 TYR C 379  THR C 383 -1  N  LEU C 380   O  MET C 391           
SHEET    4   O 4 MET C 631  PHE C 634 -1  O  PHE C 634   N  TYR C 379           
SHEET    1   P 4 VAL C 408  GLU C 414  0                                        
SHEET    2   P 4 ARG C 419  ASP C 424 -1  O  TYR C 421   N  ASP C 412           
SHEET    3   P 4 MET C 429  GLN C 434 -1  O  CYS C 431   N  TRP C 422           
SHEET    4   P 4 ASP C 445  ILE C 448 -1  O  VAL C 447   N  ILE C 430           
SHEET    1   Q 4 GLY C 457  ASP C 461  0                                        
SHEET    2   Q 4 ASN C 466  ASP C 471 -1  O  ASN C 466   N  ASP C 461           
SHEET    3   Q 4 THR C 476  ASP C 481 -1  O  ALA C 480   N  ILE C 467           
SHEET    4   Q 4 ARG C 487  ARG C 492 -1  O  LYS C 488   N  VAL C 479           
SHEET    1   R 4 PRO C 498  ASP C 504  0                                        
SHEET    2   R 4 PHE C 509  ASP C 514 -1  O  PHE C 509   N  ASP C 504           
SHEET    3   R 4 LYS C 520  GLY C 525 -1  O  GLY C 524   N  MET C 510           
SHEET    4   R 4 ILE C 531  VAL C 535 -1  O  TYR C 532   N  LYS C 523           
SHEET    1   S 4 PRO C 542  ASP C 548  0                                        
SHEET    2   S 4 ARG C 553  ASP C 558 -1  O  ARG C 553   N  ASP C 548           
SHEET    3   S 4 SER C 563  ASP C 568 -1  O  ILE C 567   N  LEU C 554           
SHEET    4   S 4 LYS C 575  GLU C 579 -1  O  LYS C 575   N  SER C 566           
SHEET    1   T 4 PRO C 587  PHE C 593  0                                        
SHEET    2   T 4 LYS C 596  ASP C 601 -1  O  PHE C 598   N  ALA C 591           
SHEET    3   T 4 ALA C 606  ASN C 611 -1  O  ALA C 610   N  VAL C 597           
SHEET    4   T 4 ASN C 619  ALA C 622 -1  O  LEU C 621   N  ILE C 607           
SHEET    1   U 2 LEU C 659  PRO C 662  0                                        
SHEET    2   U 2 PHE C 673  ALA C 676 -1  O  ALA C 676   N  LEU C 659           
SHEET    1   V 2 LEU C 682  LEU C 683  0                                        
SHEET    2   V 2 CYS C 690  LEU C 691 -1  O  LEU C 691   N  LEU C 682           
SSBOND   1 CYS B  223    CYS B  255                          1555   1555  2.08  
SSBOND   2 CYS B  323    CYS B  358                          1555   1555  2.13  
SSBOND   3 CYS B  375    CYS B  378                          1555   1555  2.07  
SSBOND   4 CYS B  457    CYS B  527                          1555   1555  2.05  
SSBOND   5 CYS B  477    CYS B  526                          1555   1555  2.03  
SSBOND   6 CYS B  486    CYS B  509                          1555   1555  1.99  
SSBOND   7 CYS B  534    CYS B  601                          1555   1555  2.06  
SSBOND   8 CYS B  552    CYS B  600                          1555   1555  2.01  
SSBOND   9 CYS B  562    CYS B  588                          1555   1555  2.05  
SSBOND  10 CYS B  608    CYS B  679                          1555   1555  2.04  
SSBOND  11 CYS B  626    CYS B  678                          1555   1555  2.03  
SSBOND  12 CYS B  635    CYS B  654                          1555   1555  2.06  
SSBOND  13 CYS C  255    CYS C  268                          1555   1555  2.04  
SSBOND  14 CYS C  263    CYS C  281                          1555   1555  2.03  
SSBOND  15 CYS C  297    CYS C  308                          1555   1555  2.05  
SSBOND  16 CYS C  304    CYS C  317                          1555   1555  2.05  
SSBOND  17 CYS C  319    CYS C  331                          1555   1555  2.04  
SSBOND  18 CYS C  337    CYS C  347                          1555   1555  2.06  
SSBOND  19 CYS C  343    CYS C  356                          1555   1555  2.03  
SSBOND  20 CYS C  358    CYS C  371                          1555   1555  2.03  
SSBOND  21 CYS C  646    CYS C  660                          1555   1555  2.70  
SSBOND  22 CYS C  656    CYS C  675                          1555   1555  2.50  
SSBOND  23 CYS C  677    CYS C  690                          1555   1555  2.72  
LINK         OD2 ASP C 310                CA    CA C1001     1555   1555  2.11  
LINK         O   LEU C 311                CA    CA C1001     1555   1555  2.39  
LINK         O   LEU C 350                CA    CA C1002     1555   1555  2.45  
LINK         OD1 ASP C 286                CA    CA C1003     1555   1555  2.54  
LINK         O   LYS C 273                CA    CA C1003     1555   1555  2.56  
LINK         O   GLY C 314                CA    CA C1001     1555   1555  2.57  
LINK         OE1 GLU C 296                CA    CA C1001     1555   1555  2.67  
LINK         OE2 GLU C 287                CA    CA C1003     1555   1555  2.68  
LINK         O   THR C 294                CA    CA C1001     1555   1555  2.69  
LINK         OD2 ASP C 280                CA    CA C1003     1555   1555  2.77  
LINK         OD2 ASP C 333                CA    CA C1002     1555   1555  2.97  
LINK         OD1 ASN C 276                CA    CA C1003     1555   1555  2.98  
LINK         OD2 ASP C 286                CA    CA C1003     1555   1555  3.11  
CISPEP   1 SER B  326    PRO B  327          0        -1.89                     
CISPEP   2 ASP C  339    PRO C  340          0         0.70                     
CISPEP   3 VAL C  643    ASN C  644          0         0.07                     
SITE     1 AC1  5 THR C 294  GLU C 296  ASP C 310  LEU C 311                    
SITE     2 AC1  5 GLY C 314                                                     
SITE     1 AC2  4 ASP C 333  ASP C 335  LEU C 350  GLU C 351                    
SITE     1 AC3  5 LYS C 273  ASN C 276  ASP C 280  ASP C 286                    
SITE     2 AC3  5 GLU C 287                                                     
CRYST1  322.906  322.906   76.733  90.00  90.00 120.00 P 65          6          
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      0.003097  0.001788  0.000000        0.00000                         
SCALE2      0.000000  0.003576  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013032        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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