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Database: PDB
Entry: 3RJR
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HEADER    CYTOKINE                                15-APR-11   3RJR              
TITLE     CRYSTAL STRUCTURE OF PRO-TGF BETA 1                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TRANSFORMING GROWTH FACTOR BETA-1;                         
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: TGF-BETA-1, LATENCY-ASSOCIATED PEPTIDE, LAP;                
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
SOURCE   3 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR;                               
SOURCE   4 ORGANISM_TAXID: 9823;                                                
SOURCE   5 GENE: TGFB1;                                                         
SOURCE   6 EXPRESSION_SYSTEM: CRICETULUS GRISEUS;                               
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 10029;                                      
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: LEC 3.2.8.1;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PCDNA3.1                                  
KEYWDS    TGF BETA, ACTIVATION, INTEGRIN, CYTOKINE                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.H.ZHU,M.L.SHI,T.A.SPRINGER                                          
REVDAT   4   29-JUL-20 3RJR    1       COMPND REMARK SEQADV HETNAM              
REVDAT   4 2                   1       LINK   SITE   ATOM                       
REVDAT   3   08-NOV-17 3RJR    1       REMARK                                   
REVDAT   2   13-FEB-13 3RJR    1       JRNL   VERSN                             
REVDAT   1   15-JUN-11 3RJR    0                                                
JRNL        AUTH   M.SHI,J.ZHU,R.WANG,X.CHEN,L.MI,T.WALZ,T.A.SPRINGER           
JRNL        TITL   LATENT TGF-BETA STRUCTURE AND ACTIVATION                     
JRNL        REF    NATURE                        V. 474   343 2011              
JRNL        REFN                   ISSN 0028-0836                               
JRNL        PMID   21677751                                                     
JRNL        DOI    10.1038/NATURE10152                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.05 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX DEV_276                                       
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MLHL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.05                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.55                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.440                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 35267                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.275                           
REMARK   3   R VALUE            (WORKING SET) : 0.274                           
REMARK   3   FREE R VALUE                     : 0.311                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 2.950                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1040                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 46.5595 -  5.8312    0.99     4971   179  0.2459 0.2681        
REMARK   3     2  5.8312 -  4.6298    0.99     4907   159  0.2500 0.3186        
REMARK   3     3  4.6298 -  4.0449    0.99     4907   139  0.2565 0.2977        
REMARK   3     4  4.0449 -  3.6753    0.99     4873   144  0.2912 0.3294        
REMARK   3     5  3.6753 -  3.4119    0.99     4859   145  0.3207 0.3512        
REMARK   3     6  3.4119 -  3.2108    0.98     4853   124  0.3366 0.3901        
REMARK   3     7  3.2108 -  3.0500    0.98     4857   150  0.3668 0.4188        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.20                                          
REMARK   3   SHRINKAGE RADIUS   : 1.20                                          
REMARK   3   K_SOL              : 0.30                                          
REMARK   3   B_SOL              : 242.9                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.510            
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) : 214.8                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -11.61110                                            
REMARK   3    B22 (A**2) : -17.93140                                            
REMARK   3    B33 (A**2) : -22.11040                                            
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -4.76920                                             
REMARK   3    B23 (A**2) : 0.00000                                              
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      :  0.002          11236                                  
REMARK   3   ANGLE     :  0.488          15215                                  
REMARK   3   CHIRALITY :  0.032           1690                                  
REMARK   3   PLANARITY :  0.002           1939                                  
REMARK   3   DIHEDRAL  : 12.461           4211                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 40                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 1:30                                 
REMARK   3    ORIGIN FOR THE GROUP (A): -84.6996  55.2195 -39.7024              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.9445 T22:   0.7840                                     
REMARK   3      T33:   1.6305 T12:   0.4269                                     
REMARK   3      T13:  -0.6968 T23:  -0.3838                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2017 L22:   0.3906                                     
REMARK   3      L33:   0.1301 L12:   0.2136                                     
REMARK   3      L13:   0.1929 L23:   0.2850                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2655 S12:  -0.7811 S13:  -0.0349                       
REMARK   3      S21:   0.5686 S22:  -0.1133 S23:  -0.4492                       
REMARK   3      S31:  -1.0960 S32:   0.0066 S33:  -0.0002                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 31:61                                
REMARK   3    ORIGIN FOR THE GROUP (A): -87.8041  62.7726 -16.2105              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.3288 T22:   1.7124                                     
REMARK   3      T33:   0.9648 T12:   0.4194                                     
REMARK   3      T13:  -0.0795 T23:   0.2300                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0790 L22:   0.2226                                     
REMARK   3      L33:   0.0237 L12:   0.3479                                     
REMARK   3      L13:   0.2602 L23:  -0.0323                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4059 S12:  -1.2910 S13:   0.1329                       
REMARK   3      S21:   0.1988 S22:   0.2271 S23:   0.5414                       
REMARK   3      S31:  -1.9573 S32:  -0.2670 S33:   0.0003                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 62:116                               
REMARK   3    ORIGIN FOR THE GROUP (A): -85.7603  50.2919   1.1620              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3145 T22:   1.7773                                     
REMARK   3      T33:   1.8771 T12:   0.3273                                     
REMARK   3      T13:  -0.2889 T23:  -0.3080                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0122 L22:   0.8710                                     
REMARK   3      L33:  -0.1437 L12:   0.2869                                     
REMARK   3      L13:   0.6086 L23:   0.2027                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4943 S12:  -0.3724 S13:   0.2889                       
REMARK   3      S21:  -0.2277 S22:  -0.0288 S23:   0.7157                       
REMARK   3      S31:  -0.0351 S32:  -0.2523 S33:  -0.0001                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 117:202                              
REMARK   3    ORIGIN FOR THE GROUP (A): -76.3851  43.8873   1.3589              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.9685 T22:   1.7428                                     
REMARK   3      T33:   0.8955 T12:  -0.0288                                     
REMARK   3      T13:   0.0205 T23:  -0.0165                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1077 L22:   1.5521                                     
REMARK   3      L33:   0.0606 L12:  -0.3149                                     
REMARK   3      L13:  -0.0360 L23:   0.6051                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7440 S12:  -0.2309 S13:   1.2277                       
REMARK   3      S21:  -0.6345 S22:   0.1635 S23:  -0.2493                       
REMARK   3      S31:   0.5087 S32:   0.2131 S33:  -0.0001                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 203:227                              
REMARK   3    ORIGIN FOR THE GROUP (A): -70.1387  52.1929   6.9298              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5101 T22:   1.7650                                     
REMARK   3      T33:   1.2361 T12:  -0.3871                                     
REMARK   3      T13:   0.0411 T23:  -0.4831                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0835 L22:   0.2811                                     
REMARK   3      L33:   0.2881 L12:   0.0751                                     
REMARK   3      L13:  -0.0138 L23:  -0.1127                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.2205 S12:   0.0306 S13:   0.0800                       
REMARK   3      S21:  -0.7787 S22:  -0.1389 S23:   0.3328                       
REMARK   3      S31:  -0.2378 S32:   1.5903 S33:  -0.0111                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 228:263                              
REMARK   3    ORIGIN FOR THE GROUP (A): -80.2795  49.4094 -24.5551              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.7190 T22:   1.1309                                     
REMARK   3      T33:   1.5895 T12:   0.1987                                     
REMARK   3      T13:  -0.4321 T23:   0.1230                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0442 L22:   0.3989                                     
REMARK   3      L33:  -0.0526 L12:  -0.3586                                     
REMARK   3      L13:  -0.0923 L23:  -0.1950                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3612 S12:  -0.3341 S13:   1.0817                       
REMARK   3      S21:   0.6895 S22:  -0.4285 S23:   0.4315                       
REMARK   3      S31:  -0.0623 S32:   0.8831 S33:  -0.0000                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 264:299                              
REMARK   3    ORIGIN FOR THE GROUP (A): -80.9383  57.0859 -33.3787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8056 T22:   1.5360                                     
REMARK   3      T33:   1.1763 T12:   0.4189                                     
REMARK   3      T13:  -0.2611 T23:   0.1678                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2803 L22:   0.5407                                     
REMARK   3      L33:   0.6123 L12:   0.2245                                     
REMARK   3      L13:   0.3048 L23:  -0.6417                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1371 S12:  -1.3340 S13:   0.0784                       
REMARK   3      S21:  -0.6564 S22:   0.1235 S23:  -0.7324                       
REMARK   3      S31:  -0.9302 S32:   0.0254 S33:   0.0002                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 300:313                              
REMARK   3    ORIGIN FOR THE GROUP (A): -62.1950  32.7115 -44.6607              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.9869 T22:   1.8039                                     
REMARK   3      T33:   1.9711 T12:   1.2569                                     
REMARK   3      T13:  -0.2783 T23:   0.3369                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0037 L22:   0.0016                                     
REMARK   3      L33:   0.0031 L12:  -0.0015                                     
REMARK   3      L13:  -0.0049 L23:  -0.0023                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2822 S12:  -0.1285 S13:  -0.1447                       
REMARK   3      S21:  -0.0210 S22:  -0.1336 S23:  -0.0203                       
REMARK   3      S31:  -0.0532 S32:   0.0109 S33:  -0.0001                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN A AND RESID 314:324                              
REMARK   3    ORIGIN FOR THE GROUP (A): -70.0183  33.6250 -39.9448              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1059 T22:   0.9243                                     
REMARK   3      T33:   3.9801 T12:  -0.1338                                     
REMARK   3      T13:   0.5993 T23:   0.4107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0070 L22:  -0.0014                                     
REMARK   3      L33:  -0.0149 L12:   0.0127                                     
REMARK   3      L13:  -0.0136 L23:   0.0243                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3458 S12:  -0.0400 S13:  -0.0060                       
REMARK   3      S21:  -0.2327 S22:  -0.5981 S23:  -0.7786                       
REMARK   3      S31:  -0.3738 S32:   1.2158 S33:  -0.0004                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN A AND RESID 325:361                              
REMARK   3    ORIGIN FOR THE GROUP (A): -83.8884  51.5010 -25.1319              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5278 T22:   0.7765                                     
REMARK   3      T33:   0.5442 T12:   0.3234                                     
REMARK   3      T13:  -0.9686 T23:  -0.2905                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7830 L22:   1.3698                                     
REMARK   3      L33:   1.4357 L12:   1.3041                                     
REMARK   3      L13:  -0.7624 L23:  -0.9653                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -2.3457 S12:   0.3276 S13:   0.1892                       
REMARK   3      S21:  -0.0793 S22:  -0.8912 S23:  -0.7051                       
REMARK   3      S31:  -2.3661 S32:   0.7507 S33:  -0.6705                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 1:30                                 
REMARK   3    ORIGIN FOR THE GROUP (A): -76.5441  22.4656 -43.3148              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4235 T22:   1.3523                                     
REMARK   3      T33:   0.5432 T12:   0.3749                                     
REMARK   3      T13:   0.1015 T23:   0.1448                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3836 L22:   1.8099                                     
REMARK   3      L33:  -0.5247 L12:  -0.6959                                     
REMARK   3      L13:   0.5516 L23:  -0.9292                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.2324 S12:   0.4092 S13:   2.2388                       
REMARK   3      S21:   0.1263 S22:  -0.0049 S23:  -0.0282                       
REMARK   3      S31:  -0.6485 S32:  -0.4496 S33:   0.0540                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 31:61                                
REMARK   3    ORIGIN FOR THE GROUP (A): -61.2300  12.9337 -26.4307              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6999 T22:   1.5372                                     
REMARK   3      T33:   0.8526 T12:  -0.4745                                     
REMARK   3      T13:   0.0711 T23:  -0.2996                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7378 L22:   0.2152                                     
REMARK   3      L33:   0.2145 L12:   0.7146                                     
REMARK   3      L13:   0.0921 L23:  -0.0729                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7355 S12:  -0.2302 S13:   1.2386                       
REMARK   3      S21:   1.0330 S22:   0.7795 S23:  -1.4293                       
REMARK   3      S31:   1.8087 S32:   0.6854 S33:   0.0006                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 62:116                               
REMARK   3    ORIGIN FOR THE GROUP (A): -53.3864  23.5162  -9.7300              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1049 T22:   1.6017                                     
REMARK   3      T33:   0.8237 T12:  -0.1420                                     
REMARK   3      T13:   0.0953 T23:  -0.4312                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0461 L22:   0.5656                                     
REMARK   3      L33:   0.1512 L12:   0.7583                                     
REMARK   3      L13:  -0.1996 L23:  -0.3774                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0319 S12:   0.3529 S13:   0.0329                       
REMARK   3      S21:  -0.8261 S22:   0.0339 S23:  -1.0775                       
REMARK   3      S31:  -1.3036 S32:   1.0347 S33:  -0.0027                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 117:200                              
REMARK   3    ORIGIN FOR THE GROUP (A): -61.0645  29.1959  -4.2023              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3227 T22:   1.4963                                     
REMARK   3      T33:   0.9061 T12:  -0.1977                                     
REMARK   3      T13:  -0.3220 T23:  -0.2773                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6198 L22:   0.4100                                     
REMARK   3      L33:   0.4917 L12:  -0.8616                                     
REMARK   3      L13:   0.6767 L23:   0.8733                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.4615 S12:  -0.4917 S13:   0.4526                       
REMARK   3      S21:   0.6235 S22:   0.6340 S23:   0.8702                       
REMARK   3      S31:   0.2669 S32:  -0.3103 S33:  -0.0033                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 201:263                              
REMARK   3    ORIGIN FOR THE GROUP (A): -68.4017  25.2558 -14.7882              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8955 T22:   1.0172                                     
REMARK   3      T33:   1.2443 T12:  -0.5087                                     
REMARK   3      T13:  -0.0050 T23:   0.1363                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1930 L22:   0.0679                                     
REMARK   3      L33:   0.7712 L12:  -0.8383                                     
REMARK   3      L13:   0.2453 L23:   1.4839                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1317 S12:   0.0259 S13:   0.1566                       
REMARK   3      S21:   0.2907 S22:   0.3824 S23:   0.8180                       
REMARK   3      S31:  -0.1862 S32:  -0.3311 S33:  -0.0011                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 264:274                              
REMARK   3    ORIGIN FOR THE GROUP (A): -79.0914  19.0512 -35.9327              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6558 T22:   1.1146                                     
REMARK   3      T33:   0.9573 T12:  -0.2251                                     
REMARK   3      T13:  -0.1855 T23:  -0.1732                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.1119 L22:   0.0545                                     
REMARK   3      L33:  -0.2030 L12:  -0.0801                                     
REMARK   3      L13:  -0.0040 L23:   0.1826                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3416 S12:   0.4873 S13:  -0.9237                       
REMARK   3      S21:   1.0435 S22:   0.2437 S23:  -0.1156                       
REMARK   3      S31:   0.3934 S32:  -0.5504 S33:   0.0003                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 275:296                              
REMARK   3    ORIGIN FOR THE GROUP (A): -72.6041  17.1603 -36.3774              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6443 T22:   1.0635                                     
REMARK   3      T33:   1.0219 T12:  -0.0440                                     
REMARK   3      T13:  -0.3022 T23:  -0.5569                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2436 L22:   0.4280                                     
REMARK   3      L33:   0.1196 L12:   0.5682                                     
REMARK   3      L13:   0.2591 L23:   0.0967                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5292 S12:   0.4165 S13:   0.0382                       
REMARK   3      S21:  -1.1117 S22:   0.2298 S23:  -0.3643                       
REMARK   3      S31:   0.4367 S32:   0.2556 S33:   0.0000                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 297:311                              
REMARK   3    ORIGIN FOR THE GROUP (A): -95.6622  39.9690 -31.9919              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.8264 T22:   2.5049                                     
REMARK   3      T33:   2.1282 T12:  -0.2497                                     
REMARK   3      T13:  -0.1999 T23:  -0.0902                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0308 L22:  -0.0035                                     
REMARK   3      L33:   0.0238 L12:   0.0947                                     
REMARK   3      L13:  -0.0263 L23:  -0.0627                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0323 S12:  -0.2670 S13:  -1.2834                       
REMARK   3      S21:  -0.2140 S22:  -0.7272 S23:   0.4804                       
REMARK   3      S31:   0.1794 S32:  -0.5089 S33:  -0.0004                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 312:324                              
REMARK   3    ORIGIN FOR THE GROUP (A): -85.4423  42.9772 -32.7974              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1362 T22:   1.3175                                     
REMARK   3      T33:   1.6361 T12:  -0.6798                                     
REMARK   3      T13:  -0.1274 T23:   0.2879                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0127 L22:  -0.0128                                     
REMARK   3      L33:   0.0358 L12:   0.0471                                     
REMARK   3      L13:  -0.0693 L23:   0.0453                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0806 S12:  -0.7964 S13:  -0.6642                       
REMARK   3      S21:   0.0979 S22:  -0.2519 S23:   0.3397                       
REMARK   3      S31:   0.7071 S32:  -0.5010 S33:  -0.0000                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN B AND RESID 325:361                              
REMARK   3    ORIGIN FOR THE GROUP (A): -69.2170  24.8029 -30.5868              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0504 T22:   1.2699                                     
REMARK   3      T33:   0.6984 T12:  -0.0402                                     
REMARK   3      T13:   0.0058 T23:  -0.0299                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0482 L22:   0.8498                                     
REMARK   3      L33:   0.6967 L12:   0.6153                                     
REMARK   3      L13:   0.4763 L23:   0.2041                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5990 S12:  -0.5086 S13:   0.7163                       
REMARK   3      S21:  -0.3895 S22:  -0.1331 S23:  -0.4585                       
REMARK   3      S31:   0.8253 S32:  -0.3071 S33:   0.0000                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN C AND RESID -1:49                                
REMARK   3    ORIGIN FOR THE GROUP (A): -40.1509  55.6674  71.9351              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2441 T22:   0.3947                                     
REMARK   3      T33:   1.3973 T12:   0.1487                                     
REMARK   3      T13:  -0.3283 T23:  -0.0483                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4014 L22:   1.2790                                     
REMARK   3      L33:   0.4588 L12:   0.2768                                     
REMARK   3      L13:  -0.0383 L23:   1.6527                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2633 S12:   0.0735 S13:   0.6190                       
REMARK   3      S21:   1.3079 S22:  -0.0266 S23:  -0.4164                       
REMARK   3      S31:  -2.0951 S32:   0.2279 S33:   0.0013                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 50:100                               
REMARK   3    ORIGIN FOR THE GROUP (A): -44.2007  49.9031  41.3836              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0351 T22:   0.8068                                     
REMARK   3      T33:   1.3587 T12:   0.0528                                     
REMARK   3      T13:  -0.0100 T23:   0.1850                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1381 L22:   0.4173                                     
REMARK   3      L33:   0.4957 L12:  -0.0684                                     
REMARK   3      L13:  -0.0687 L23:  -0.2258                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4155 S12:  -0.1869 S13:   0.5966                       
REMARK   3      S21:  -0.5956 S22:   0.0520 S23:  -1.3742                       
REMARK   3      S31:   1.0482 S32:  -0.4398 S33:   0.0003                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 101:142                              
REMARK   3    ORIGIN FOR THE GROUP (A): -46.1360  47.4090  38.4754              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1449 T22:   0.9829                                     
REMARK   3      T33:   1.0975 T12:   0.0312                                     
REMARK   3      T13:  -0.0647 T23:   0.0117                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2015 L22:   1.6659                                     
REMARK   3      L33:  -0.0059 L12:   0.2876                                     
REMARK   3      L13:   0.0128 L23:  -0.2463                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3732 S12:   0.9671 S13:  -0.2128                       
REMARK   3      S21:  -0.3426 S22:   0.0907 S23:  -0.6504                       
REMARK   3      S31:  -0.5238 S32:   0.3274 S33:   0.0001                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 143:200                              
REMARK   3    ORIGIN FOR THE GROUP (A): -49.1762  41.2225  34.5191              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5427 T22:   0.8805                                     
REMARK   3      T33:   0.7728 T12:   0.1953                                     
REMARK   3      T13:   0.3500 T23:   0.3341                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4835 L22:   1.2575                                     
REMARK   3      L33:   2.3138 L12:   0.4700                                     
REMARK   3      L13:   0.5335 L23:   0.9408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2963 S12:   1.1114 S13:   0.4617                       
REMARK   3      S21:  -0.7254 S22:  -0.4956 S23:  -0.1361                       
REMARK   3      S31:   0.5839 S32:  -0.2260 S33:  -0.3563                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 201:240                              
REMARK   3    ORIGIN FOR THE GROUP (A): -48.0634  48.2205  37.7475              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0453 T22:   0.5924                                     
REMARK   3      T33:   1.3315 T12:   0.3229                                     
REMARK   3      T13:   0.4256 T23:   0.0394                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3027 L22:   0.2330                                     
REMARK   3      L33:   2.3945 L12:   0.7900                                     
REMARK   3      L13:   0.8855 L23:  -1.2162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.8827 S12:  -1.3934 S13:   1.5417                       
REMARK   3      S21:   0.3621 S22:   0.1302 S23:  -1.3543                       
REMARK   3      S31:  -0.9201 S32:  -1.3335 S33:  -0.0903                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 251:263                              
REMARK   3    ORIGIN FOR THE GROUP (A): -61.8745  45.2496  74.1571              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7905 T22:   2.0089                                     
REMARK   3      T33:   2.7489 T12:   0.5222                                     
REMARK   3      T13:  -0.1105 T23:   0.1091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0045 L22:  -0.0526                                     
REMARK   3      L33:  -0.0064 L12:   0.0174                                     
REMARK   3      L13:  -0.0134 L23:  -0.0801                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2461 S12:  -0.5337 S13:  -0.3950                       
REMARK   3      S21:  -0.0421 S22:  -0.9146 S23:   0.1873                       
REMARK   3      S31:  -0.7988 S32:  -0.4384 S33:  -0.0000                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 264:274                              
REMARK   3    ORIGIN FOR THE GROUP (A): -49.6866  53.8699  72.5897              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5576 T22:   0.7447                                     
REMARK   3      T33:   2.1068 T12:   0.4538                                     
REMARK   3      T13:  -0.8251 T23:  -0.5898                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0922 L22:   0.0344                                     
REMARK   3      L33:   0.2170 L12:  -0.0278                                     
REMARK   3      L13:   0.1290 L23:   0.0851                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0593 S12:  -0.2398 S13:   0.0387                       
REMARK   3      S21:   0.3959 S22:   0.0536 S23:   0.4015                       
REMARK   3      S31:  -0.7751 S32:   0.3497 S33:   0.0002                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 275:298                              
REMARK   3    ORIGIN FOR THE GROUP (A): -44.8467  54.4327  70.4582              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8484 T22:  -0.6881                                     
REMARK   3      T33:   0.0687 T12:   0.1882                                     
REMARK   3      T13:  -0.1423 T23:  -1.5098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8847 L22:   0.8499                                     
REMARK   3      L33:   2.0665 L12:  -0.7108                                     
REMARK   3      L13:  -0.1831 L23:   0.4587                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -2.0485 S12:  -1.6560 S13:   2.8680                       
REMARK   3      S21:   2.2538 S22:   0.2404 S23:  -1.0347                       
REMARK   3      S31:  -1.7440 S32:   1.7293 S33:  -1.6938                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 299:314                              
REMARK   3    ORIGIN FOR THE GROUP (A): -62.4633  27.4699  85.4460              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4146 T22:   1.1865                                     
REMARK   3      T33:   1.3869 T12:   0.5917                                     
REMARK   3      T13:   0.6159 T23:   0.1167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0205 L22:   0.0262                                     
REMARK   3      L33:   0.0307 L12:  -0.1072                                     
REMARK   3      L13:   0.1371 L23:   0.0302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.7763 S12:   0.5078 S13:   1.5371                       
REMARK   3      S21:   0.6173 S22:  -0.4929 S23:  -0.7664                       
REMARK   3      S31:  -0.6081 S32:  -0.9318 S33:   0.0003                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN C AND RESID 315:361                              
REMARK   3    ORIGIN FOR THE GROUP (A): -45.9728  44.7803  65.5754              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -4.8923 T22:  -1.8958                                     
REMARK   3      T33:  -0.4432 T12:   3.5532                                     
REMARK   3      T13:   1.7252 T23:  -0.9553                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7438 L22:   5.0819                                     
REMARK   3      L33:   5.5120 L12:   1.3742                                     
REMARK   3      L13:  -0.5641 L23:  -4.4880                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -6.3318 S12:   0.6154 S13:   2.4809                       
REMARK   3      S21:  -0.1435 S22:  -1.4502 S23:   0.1731                       
REMARK   3      S31:  -4.5827 S32:   0.3692 S33:  -7.1854                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 1:36                                 
REMARK   3    ORIGIN FOR THE GROUP (A): -53.6161  17.8719  78.3028              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5056 T22:   1.0325                                     
REMARK   3      T33:   0.5721 T12:  -0.0253                                     
REMARK   3      T13:   0.1215 T23:   0.4750                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5338 L22:   1.4656                                     
REMARK   3      L33:   0.7611 L12:   0.2225                                     
REMARK   3      L13:   0.0887 L23:   0.3484                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0397 S12:  -1.8659 S13:  -0.1640                       
REMARK   3      S21:   1.3201 S22:  -1.4039 S23:  -0.6741                       
REMARK   3      S31:   0.4963 S32:   0.5556 S33:  -0.2206                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 37:59                                
REMARK   3    ORIGIN FOR THE GROUP (A): -65.6700   9.1782  58.4109              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6774 T22:   0.9649                                     
REMARK   3      T33:   0.6371 T12:   0.0450                                     
REMARK   3      T13:  -0.3305 T23:   0.1885                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0026 L22:   0.0573                                     
REMARK   3      L33:   0.1389 L12:  -0.0227                                     
REMARK   3      L13:   0.0742 L23:  -0.2315                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4650 S12:   1.0687 S13:  -0.2223                       
REMARK   3      S21:  -0.7993 S22:  -0.8065 S23:   1.5629                       
REMARK   3      S31:   1.4696 S32:  -0.3748 S33:  -0.0042                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 60:73                                
REMARK   3    ORIGIN FOR THE GROUP (A): -61.0878  31.3895  59.0000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.3481 T22:   2.0234                                     
REMARK   3      T33:   0.6937 T12:   1.0822                                     
REMARK   3      T13:   0.0838 T23:  -0.6593                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0761 L22:   0.0060                                     
REMARK   3      L33:  -0.0231 L12:   0.0413                                     
REMARK   3      L13:  -0.0025 L23:   0.0280                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2943 S12:   0.3625 S13:  -0.2317                       
REMARK   3      S21:   1.2996 S22:   0.3642 S23:  -0.3131                       
REMARK   3      S31:  -0.6725 S32:   0.1999 S33:   0.0003                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 74:137                               
REMARK   3    ORIGIN FOR THE GROUP (A): -70.8127  21.2767  43.7745              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8030 T22:   0.9090                                     
REMARK   3      T33:   0.7312 T12:   0.1661                                     
REMARK   3      T13:  -0.1881 T23:  -0.1455                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0775 L22:   1.6288                                     
REMARK   3      L33:   0.4089 L12:   0.5810                                     
REMARK   3      L13:  -1.1930 L23:   0.0789                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0426 S12:   0.0089 S13:  -0.5402                       
REMARK   3      S21:  -0.3924 S22:   0.1595 S23:   0.8478                       
REMARK   3      S31:   0.2265 S32:  -0.2363 S33:   0.0000                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 138:200                              
REMARK   3    ORIGIN FOR THE GROUP (A): -66.6467  29.5934  38.5411              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2179 T22:   0.8063                                     
REMARK   3      T33:   0.9426 T12:   0.0744                                     
REMARK   3      T13:  -0.4162 T23:  -0.0868                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5485 L22:   0.5212                                     
REMARK   3      L33:  -0.1820 L12:  -0.3684                                     
REMARK   3      L13:  -0.3477 L23:  -1.2151                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6008 S12:   0.4774 S13:   0.2981                       
REMARK   3      S21:  -0.5234 S22:   0.1530 S23:  -0.3306                       
REMARK   3      S31:  -0.1465 S32:   0.0956 S33:  -0.0002                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 201:223                              
REMARK   3    ORIGIN FOR THE GROUP (A): -60.9472  25.1284  26.2959              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9545 T22:   0.7752                                     
REMARK   3      T33:   1.3495 T12:   0.5192                                     
REMARK   3      T13:  -0.1899 T23:  -0.5095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3264 L22:   0.1832                                     
REMARK   3      L33:   1.1398 L12:  -0.4758                                     
REMARK   3      L13:   0.3105 L23:   0.0260                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4273 S12:   2.6128 S13:  -0.3880                       
REMARK   3      S21:   0.0774 S22:   1.1162 S23:  -0.1447                       
REMARK   3      S31:  -0.6079 S32:   1.9009 S33:   0.0027                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 224:255                              
REMARK   3    ORIGIN FOR THE GROUP (A): -64.5293  22.1308  58.7252              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3608 T22:   0.5244                                     
REMARK   3      T33:   0.3042 T12:   0.3009                                     
REMARK   3      T13:  -0.1162 T23:   0.1631                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0551 L22:   1.1777                                     
REMARK   3      L33:   1.1617 L12:  -0.7435                                     
REMARK   3      L13:   0.6287 L23:  -0.5132                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2392 S12:  -2.5746 S13:   0.2169                       
REMARK   3      S21:  -0.2190 S22:   0.2935 S23:  -0.4533                       
REMARK   3      S31:   0.5230 S32:   0.1464 S33:   0.0695                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 256:275                              
REMARK   3    ORIGIN FOR THE GROUP (A): -43.4262  17.6306  70.6728              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2096 T22:   0.2997                                     
REMARK   3      T33:   1.0551 T12:   0.4774                                     
REMARK   3      T13:   0.1058 T23:   0.2303                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0204 L22:   0.2694                                     
REMARK   3      L33:   0.2931 L12:  -0.0385                                     
REMARK   3      L13:   0.2398 L23:   0.0219                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2439 S12:  -0.8349 S13:  -2.6919                       
REMARK   3      S21:   0.1650 S22:  -0.1681 S23:  -2.4304                       
REMARK   3      S31:  -1.0949 S32:   2.0252 S33:   0.0412                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 276:324                              
REMARK   3    ORIGIN FOR THE GROUP (A): -44.1364  27.3606  70.1682              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2920 T22:   0.6306                                     
REMARK   3      T33:   0.9859 T12:   0.3727                                     
REMARK   3      T13:  -0.1258 T23:   0.1338                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1854 L22:   1.5431                                     
REMARK   3      L33:   1.2295 L12:  -0.9663                                     
REMARK   3      L13:   0.2243 L23:   0.6003                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6094 S12:  -0.1770 S13:   0.1667                       
REMARK   3      S21:  -0.1646 S22:   0.5301 S23:  -0.7809                       
REMARK   3      S31:   0.2850 S32:   0.4977 S33:  -0.3859                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN D AND RESID 325:361                              
REMARK   3    ORIGIN FOR THE GROUP (A): -57.9149  21.6597  66.2035              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3035 T22:   0.4543                                     
REMARK   3      T33:   0.5608 T12:   0.0289                                     
REMARK   3      T13:   0.0458 T23:  -0.0758                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9412 L22:   1.3020                                     
REMARK   3      L33:   1.1865 L12:  -1.3594                                     
REMARK   3      L13:  -0.7381 L23:   0.9284                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5377 S12:  -0.1991 S13:  -0.0718                       
REMARK   3      S21:   0.0027 S22:  -0.0078 S23:  -0.3049                       
REMARK   3      S31:   0.3959 S32:  -0.3684 S33:  -1.1269                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 2                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     SELECTION          : CHAIN B AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     ATOM PAIRS NUMBER  : 1945                                        
REMARK   3     RMSD               : 0.002                                       
REMARK   3    NCS OPERATOR : 2                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     SELECTION          : CHAIN C AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     ATOM PAIRS NUMBER  : 1945                                        
REMARK   3     RMSD               : 0.004                                       
REMARK   3    NCS OPERATOR : 3                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     SELECTION          : CHAIN D AND (RESID 26:60 OR RESID 75:190    
REMARK   3                          OR RESID 216:239 OR RESID 264:295 OR        
REMARK   3                          RESID 328:360)                              
REMARK   3     ATOM PAIRS NUMBER  : 1945                                        
REMARK   3     RMSD               : 0.004                                       
REMARK   3   NCS GROUP : 2                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND RESID 193:208                   
REMARK   3     SELECTION          : CHAIN B AND RESID 193:208                   
REMARK   3     ATOM PAIRS NUMBER  : 124                                         
REMARK   3     RMSD               : 0.009                                       
REMARK   3    NCS OPERATOR : 2                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND RESID 193:208                   
REMARK   3     SELECTION          : CHAIN C AND RESID 193:208                   
REMARK   3     ATOM PAIRS NUMBER  : 124                                         
REMARK   3     RMSD               : 0.004                                       
REMARK   3    NCS OPERATOR : 3                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND RESID 193:208                   
REMARK   3     SELECTION          : CHAIN D AND RESID 193:208                   
REMARK   3     ATOM PAIRS NUMBER  : 124                                         
REMARK   3     RMSD               : 0.004                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3RJR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-APR-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000065017.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 12-NOV-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-B                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97934, 0.97932, 0.97956,         
REMARK 200                                   0.95667                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 35401                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.050                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.9                               
REMARK 200  DATA REDUNDANCY                : 5.600                              
REMARK 200  R MERGE                    (I) : 0.04700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.13                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 7% PEG 3350, 17% ISOPROPANOL, 0.1M NA    
REMARK 280  CITRATE PH 5.6, VAPOR DIFFUSION, TEMPERATURE 293K, VAPOR            
REMARK 280  DIFFUSION                                                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
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 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       63.47000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 9920 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 34660 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -55.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E                               
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10270 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 35870 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -51.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, F                               
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     GLY A    -1                                                      
REMARK 465     SER A    63                                                      
REMARK 465     VAL A    64                                                      
REMARK 465     GLU A    65                                                      
REMARK 465     PRO A    66                                                      
REMARK 465     GLU A    67                                                      
REMARK 465     PRO A    68                                                      
REMARK 465     GLU A    69                                                      
REMARK 465     GLY A   209                                                      
REMARK 465     PHE A   210                                                      
REMARK 465     ASN A   211                                                      
REMARK 465     SER A   212                                                      
REMARK 465     GLY A   213                                                      
REMARK 465     ARG A   214                                                      
REMARK 465     ARG A   215                                                      
REMARK 465     LEU A   242                                                      
REMARK 465     HIS A   243                                                      
REMARK 465     SER A   244                                                      
REMARK 465     SER A   245                                                      
REMARK 465     ARG A   246                                                      
REMARK 465     HIS A   247                                                      
REMARK 465     ARG A   248                                                      
REMARK 465     ARG A   249                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     PRO B     0                                                      
REMARK 465     SER B    63                                                      
REMARK 465     VAL B    64                                                      
REMARK 465     GLU B    65                                                      
REMARK 465     PRO B    66                                                      
REMARK 465     GLU B    67                                                      
REMARK 465     PRO B    68                                                      
REMARK 465     GLU B    69                                                      
REMARK 465     GLY B   209                                                      
REMARK 465     PHE B   210                                                      
REMARK 465     ASN B   211                                                      
REMARK 465     SER B   212                                                      
REMARK 465     GLY B   213                                                      
REMARK 465     ARG B   214                                                      
REMARK 465     ARG B   215                                                      
REMARK 465     HIS B   243                                                      
REMARK 465     SER B   244                                                      
REMARK 465     SER B   245                                                      
REMARK 465     ARG B   246                                                      
REMARK 465     HIS B   247                                                      
REMARK 465     ARG B   248                                                      
REMARK 465     ARG B   249                                                      
REMARK 465     ILE B   300                                                      
REMARK 465     TRP B   301                                                      
REMARK 465     SER B   302                                                      
REMARK 465     LEU B   303                                                      
REMARK 465     ASP B   304                                                      
REMARK 465     THR B   305                                                      
REMARK 465     GLN B   306                                                      
REMARK 465     TYR B   307                                                      
REMARK 465     SER B   308                                                      
REMARK 465     LYS B   309                                                      
REMARK 465     SER C    63                                                      
REMARK 465     VAL C    64                                                      
REMARK 465     GLU C    65                                                      
REMARK 465     PRO C    66                                                      
REMARK 465     GLU C    67                                                      
REMARK 465     GLY C   209                                                      
REMARK 465     PHE C   210                                                      
REMARK 465     ASN C   211                                                      
REMARK 465     SER C   212                                                      
REMARK 465     GLY C   213                                                      
REMARK 465     ARG C   214                                                      
REMARK 465     ARG C   215                                                      
REMARK 465     LEU C   242                                                      
REMARK 465     HIS C   243                                                      
REMARK 465     SER C   244                                                      
REMARK 465     SER C   245                                                      
REMARK 465     ARG C   246                                                      
REMARK 465     HIS C   247                                                      
REMARK 465     ARG C   248                                                      
REMARK 465     ARG C   249                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     SER D    63                                                      
REMARK 465     VAL D    64                                                      
REMARK 465     GLU D    65                                                      
REMARK 465     PRO D    66                                                      
REMARK 465     GLU D    67                                                      
REMARK 465     PRO D    68                                                      
REMARK 465     GLY D   209                                                      
REMARK 465     PHE D   210                                                      
REMARK 465     ASN D   211                                                      
REMARK 465     SER D   212                                                      
REMARK 465     GLY D   213                                                      
REMARK 465     ARG D   214                                                      
REMARK 465     ARG D   215                                                      
REMARK 465     HIS D   243                                                      
REMARK 465     SER D   244                                                      
REMARK 465     SER D   245                                                      
REMARK 465     ARG D   246                                                      
REMARK 465     HIS D   247                                                      
REMARK 465     ARG D   248                                                      
REMARK 465     ARG D   249                                                      
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     PRO A   0    N    CB   CG   CD                                   
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   ND2  ASN C    53     C2   NAG F     1              2.05            
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    LYS A  96     -169.92    -74.66                                   
REMARK 500    TYR A 145      -79.13    -58.82                                   
REMARK 500    LEU A 153      -68.75   -123.14                                   
REMARK 500    PRO A 160      104.14    -58.12                                   
REMARK 500    PRO A 164       89.16    -63.99                                   
REMARK 500    ALA A 184       43.26    -87.89                                   
REMARK 500    LYS A 199      137.95   -176.73                                   
REMARK 500    ALA A 219     -165.28   -165.51                                   
REMARK 500    LEU A 269      111.20   -168.25                                   
REMARK 500    ASN A 291     -176.03     57.90                                   
REMARK 500    ALA A 321      160.64     67.58                                   
REMARK 500    SER A 322      -36.78     71.37                                   
REMARK 500    ALA A 323      -23.90     68.54                                   
REMARK 500    LYS B  96     -169.87    -74.71                                   
REMARK 500    TYR B 145      -79.12    -58.80                                   
REMARK 500    LEU B 153      -68.92   -123.18                                   
REMARK 500    PRO B 160      104.16    -58.18                                   
REMARK 500    PRO B 164       89.17    -64.02                                   
REMARK 500    ALA B 184       43.29    -87.96                                   
REMARK 500    LYS B 199      137.96   -176.75                                   
REMARK 500    ALA B 219     -165.23   -165.52                                   
REMARK 500    LEU B 269      111.28   -168.17                                   
REMARK 500    ASN B 291     -175.92     58.06                                   
REMARK 500    PRO B 298      157.29    -48.99                                   
REMARK 500    ASN B 318       63.64   -156.87                                   
REMARK 500    ALA B 323       -9.08    -57.12                                   
REMARK 500    CYS B 327       90.86    -66.35                                   
REMARK 500    PRO C   0      -74.58    -44.41                                   
REMARK 500    PRO C  70     -178.03    -64.32                                   
REMARK 500    TYR C  74      -58.17    -29.44                                   
REMARK 500    LYS C  96     -169.76    -74.74                                   
REMARK 500    TYR C 145      -79.18    -58.76                                   
REMARK 500    LEU C 153      -68.95   -123.24                                   
REMARK 500    PRO C 160      104.12    -58.15                                   
REMARK 500    PRO C 164       89.17    -64.05                                   
REMARK 500    ALA C 184       43.19    -87.90                                   
REMARK 500    LYS C 199      137.95   -176.66                                   
REMARK 500    ALA C 219     -165.28   -165.50                                   
REMARK 500    LEU C 269      111.23   -168.06                                   
REMARK 500    ASN C 291     -176.11     58.06                                   
REMARK 500    CYS C 297       77.20   -119.16                                   
REMARK 500    TYR C 299      129.17    -35.83                                   
REMARK 500    THR C 305      173.09    -59.49                                   
REMARK 500    GLN C 306       71.28     58.93                                   
REMARK 500    TYR C 314       46.35    -96.84                                   
REMARK 500    ALA C 323       -1.41     63.51                                   
REMARK 500    ALA C 324      112.12   -169.43                                   
REMARK 500    PRO D  70     -112.83    -87.48                                   
REMARK 500    TYR D  74      -76.03    -57.93                                   
REMARK 500    LYS D  96     -169.85    -74.74                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      64 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE AUTHORS SEQUENCE CORRESPONDS TO REFERENCE SEQUENCE NP_999180.1   
DBREF  3RJR A    1   361  UNP    P07200   TGFB1_PIG       30    390             
DBREF  3RJR B    1   361  UNP    P07200   TGFB1_PIG       30    390             
DBREF  3RJR C    1   361  UNP    P07200   TGFB1_PIG       30    390             
DBREF  3RJR D    1   361  UNP    P07200   TGFB1_PIG       30    390             
SEQADV 3RJR GLY A   -1  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR PRO A    0  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR SER A    4  UNP  P07200    CYS    33 ENGINEERED MUTATION            
SEQADV 3RJR VAL A   85  UNP  P07200    LEU   114 SEE REMARK 999                 
SEQADV 3RJR GLN A  147  UNP  P07200    ASN   176 ENGINEERED MUTATION            
SEQADV 3RJR GLY B   -1  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR PRO B    0  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR SER B    4  UNP  P07200    CYS    33 ENGINEERED MUTATION            
SEQADV 3RJR VAL B   85  UNP  P07200    LEU   114 SEE REMARK 999                 
SEQADV 3RJR GLN B  147  UNP  P07200    ASN   176 ENGINEERED MUTATION            
SEQADV 3RJR GLY C   -1  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR PRO C    0  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR SER C    4  UNP  P07200    CYS    33 ENGINEERED MUTATION            
SEQADV 3RJR VAL C   85  UNP  P07200    LEU   114 SEE REMARK 999                 
SEQADV 3RJR GLN C  147  UNP  P07200    ASN   176 ENGINEERED MUTATION            
SEQADV 3RJR GLY D   -1  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR PRO D    0  UNP  P07200              EXPRESSION TAG                 
SEQADV 3RJR SER D    4  UNP  P07200    CYS    33 ENGINEERED MUTATION            
SEQADV 3RJR VAL D   85  UNP  P07200    LEU   114 SEE REMARK 999                 
SEQADV 3RJR GLN D  147  UNP  P07200    ASN   176 ENGINEERED MUTATION            
SEQRES   1 A  363  GLY PRO LEU SER THR SER LYS THR ILE ASP MET GLU LEU          
SEQRES   2 A  363  VAL LYS ARG LYS ARG ILE GLU ALA ILE ARG GLY GLN ILE          
SEQRES   3 A  363  LEU SER LYS LEU ARG LEU ALA SER PRO PRO SER GLN GLY          
SEQRES   4 A  363  ASP VAL PRO PRO GLY PRO LEU PRO GLU ALA VAL LEU ALA          
SEQRES   5 A  363  LEU TYR ASN SER THR ARG ASP ARG VAL ALA GLY GLU SER          
SEQRES   6 A  363  VAL GLU PRO GLU PRO GLU PRO GLU ALA ASP TYR TYR ALA          
SEQRES   7 A  363  LYS GLU VAL THR ARG VAL LEU MET VAL GLU SER GLY ASN          
SEQRES   8 A  363  GLN ILE TYR ASP LYS PHE LYS GLY THR PRO HIS SER LEU          
SEQRES   9 A  363  TYR MET LEU PHE ASN THR SER GLU LEU ARG GLU ALA VAL          
SEQRES  10 A  363  PRO GLU PRO VAL LEU LEU SER ARG ALA GLU LEU ARG LEU          
SEQRES  11 A  363  LEU ARG LEU LYS LEU LYS VAL GLU GLN HIS VAL GLU LEU          
SEQRES  12 A  363  TYR GLN LYS TYR SER GLN ASP SER TRP ARG TYR LEU SER          
SEQRES  13 A  363  ASN ARG LEU LEU ALA PRO SER ASP SER PRO GLU TRP LEU          
SEQRES  14 A  363  SER PHE ASP VAL THR GLY VAL VAL ARG GLN TRP LEU THR          
SEQRES  15 A  363  ARG ARG GLU ALA ILE GLU GLY PHE ARG LEU SER ALA HIS          
SEQRES  16 A  363  CYS SER CYS ASP SER LYS ASP ASN THR LEU HIS VAL GLU          
SEQRES  17 A  363  ILE ASN GLY PHE ASN SER GLY ARG ARG GLY ASP LEU ALA          
SEQRES  18 A  363  THR ILE HIS GLY MET ASN ARG PRO PHE LEU LEU LEU MET          
SEQRES  19 A  363  ALA THR PRO LEU GLU ARG ALA GLN HIS LEU HIS SER SER          
SEQRES  20 A  363  ARG HIS ARG ARG ALA LEU ASP THR ASN TYR CYS PHE SER          
SEQRES  21 A  363  SER THR GLU LYS ASN CYS CYS VAL ARG GLN LEU TYR ILE          
SEQRES  22 A  363  ASP PHE ARG LYS ASP LEU GLY TRP LYS TRP ILE HIS GLU          
SEQRES  23 A  363  PRO LYS GLY TYR HIS ALA ASN PHE CYS LEU GLY PRO CYS          
SEQRES  24 A  363  PRO TYR ILE TRP SER LEU ASP THR GLN TYR SER LYS VAL          
SEQRES  25 A  363  LEU ALA LEU TYR ASN GLN HIS ASN PRO GLY ALA SER ALA          
SEQRES  26 A  363  ALA PRO CYS CYS VAL PRO GLN ALA LEU GLU PRO LEU PRO          
SEQRES  27 A  363  ILE VAL TYR TYR VAL GLY ARG LYS PRO LYS VAL GLU GLN          
SEQRES  28 A  363  LEU SER ASN MET ILE VAL ARG SER CYS LYS CYS SER              
SEQRES   1 B  363  GLY PRO LEU SER THR SER LYS THR ILE ASP MET GLU LEU          
SEQRES   2 B  363  VAL LYS ARG LYS ARG ILE GLU ALA ILE ARG GLY GLN ILE          
SEQRES   3 B  363  LEU SER LYS LEU ARG LEU ALA SER PRO PRO SER GLN GLY          
SEQRES   4 B  363  ASP VAL PRO PRO GLY PRO LEU PRO GLU ALA VAL LEU ALA          
SEQRES   5 B  363  LEU TYR ASN SER THR ARG ASP ARG VAL ALA GLY GLU SER          
SEQRES   6 B  363  VAL GLU PRO GLU PRO GLU PRO GLU ALA ASP TYR TYR ALA          
SEQRES   7 B  363  LYS GLU VAL THR ARG VAL LEU MET VAL GLU SER GLY ASN          
SEQRES   8 B  363  GLN ILE TYR ASP LYS PHE LYS GLY THR PRO HIS SER LEU          
SEQRES   9 B  363  TYR MET LEU PHE ASN THR SER GLU LEU ARG GLU ALA VAL          
SEQRES  10 B  363  PRO GLU PRO VAL LEU LEU SER ARG ALA GLU LEU ARG LEU          
SEQRES  11 B  363  LEU ARG LEU LYS LEU LYS VAL GLU GLN HIS VAL GLU LEU          
SEQRES  12 B  363  TYR GLN LYS TYR SER GLN ASP SER TRP ARG TYR LEU SER          
SEQRES  13 B  363  ASN ARG LEU LEU ALA PRO SER ASP SER PRO GLU TRP LEU          
SEQRES  14 B  363  SER PHE ASP VAL THR GLY VAL VAL ARG GLN TRP LEU THR          
SEQRES  15 B  363  ARG ARG GLU ALA ILE GLU GLY PHE ARG LEU SER ALA HIS          
SEQRES  16 B  363  CYS SER CYS ASP SER LYS ASP ASN THR LEU HIS VAL GLU          
SEQRES  17 B  363  ILE ASN GLY PHE ASN SER GLY ARG ARG GLY ASP LEU ALA          
SEQRES  18 B  363  THR ILE HIS GLY MET ASN ARG PRO PHE LEU LEU LEU MET          
SEQRES  19 B  363  ALA THR PRO LEU GLU ARG ALA GLN HIS LEU HIS SER SER          
SEQRES  20 B  363  ARG HIS ARG ARG ALA LEU ASP THR ASN TYR CYS PHE SER          
SEQRES  21 B  363  SER THR GLU LYS ASN CYS CYS VAL ARG GLN LEU TYR ILE          
SEQRES  22 B  363  ASP PHE ARG LYS ASP LEU GLY TRP LYS TRP ILE HIS GLU          
SEQRES  23 B  363  PRO LYS GLY TYR HIS ALA ASN PHE CYS LEU GLY PRO CYS          
SEQRES  24 B  363  PRO TYR ILE TRP SER LEU ASP THR GLN TYR SER LYS VAL          
SEQRES  25 B  363  LEU ALA LEU TYR ASN GLN HIS ASN PRO GLY ALA SER ALA          
SEQRES  26 B  363  ALA PRO CYS CYS VAL PRO GLN ALA LEU GLU PRO LEU PRO          
SEQRES  27 B  363  ILE VAL TYR TYR VAL GLY ARG LYS PRO LYS VAL GLU GLN          
SEQRES  28 B  363  LEU SER ASN MET ILE VAL ARG SER CYS LYS CYS SER              
SEQRES   1 C  363  GLY PRO LEU SER THR SER LYS THR ILE ASP MET GLU LEU          
SEQRES   2 C  363  VAL LYS ARG LYS ARG ILE GLU ALA ILE ARG GLY GLN ILE          
SEQRES   3 C  363  LEU SER LYS LEU ARG LEU ALA SER PRO PRO SER GLN GLY          
SEQRES   4 C  363  ASP VAL PRO PRO GLY PRO LEU PRO GLU ALA VAL LEU ALA          
SEQRES   5 C  363  LEU TYR ASN SER THR ARG ASP ARG VAL ALA GLY GLU SER          
SEQRES   6 C  363  VAL GLU PRO GLU PRO GLU PRO GLU ALA ASP TYR TYR ALA          
SEQRES   7 C  363  LYS GLU VAL THR ARG VAL LEU MET VAL GLU SER GLY ASN          
SEQRES   8 C  363  GLN ILE TYR ASP LYS PHE LYS GLY THR PRO HIS SER LEU          
SEQRES   9 C  363  TYR MET LEU PHE ASN THR SER GLU LEU ARG GLU ALA VAL          
SEQRES  10 C  363  PRO GLU PRO VAL LEU LEU SER ARG ALA GLU LEU ARG LEU          
SEQRES  11 C  363  LEU ARG LEU LYS LEU LYS VAL GLU GLN HIS VAL GLU LEU          
SEQRES  12 C  363  TYR GLN LYS TYR SER GLN ASP SER TRP ARG TYR LEU SER          
SEQRES  13 C  363  ASN ARG LEU LEU ALA PRO SER ASP SER PRO GLU TRP LEU          
SEQRES  14 C  363  SER PHE ASP VAL THR GLY VAL VAL ARG GLN TRP LEU THR          
SEQRES  15 C  363  ARG ARG GLU ALA ILE GLU GLY PHE ARG LEU SER ALA HIS          
SEQRES  16 C  363  CYS SER CYS ASP SER LYS ASP ASN THR LEU HIS VAL GLU          
SEQRES  17 C  363  ILE ASN GLY PHE ASN SER GLY ARG ARG GLY ASP LEU ALA          
SEQRES  18 C  363  THR ILE HIS GLY MET ASN ARG PRO PHE LEU LEU LEU MET          
SEQRES  19 C  363  ALA THR PRO LEU GLU ARG ALA GLN HIS LEU HIS SER SER          
SEQRES  20 C  363  ARG HIS ARG ARG ALA LEU ASP THR ASN TYR CYS PHE SER          
SEQRES  21 C  363  SER THR GLU LYS ASN CYS CYS VAL ARG GLN LEU TYR ILE          
SEQRES  22 C  363  ASP PHE ARG LYS ASP LEU GLY TRP LYS TRP ILE HIS GLU          
SEQRES  23 C  363  PRO LYS GLY TYR HIS ALA ASN PHE CYS LEU GLY PRO CYS          
SEQRES  24 C  363  PRO TYR ILE TRP SER LEU ASP THR GLN TYR SER LYS VAL          
SEQRES  25 C  363  LEU ALA LEU TYR ASN GLN HIS ASN PRO GLY ALA SER ALA          
SEQRES  26 C  363  ALA PRO CYS CYS VAL PRO GLN ALA LEU GLU PRO LEU PRO          
SEQRES  27 C  363  ILE VAL TYR TYR VAL GLY ARG LYS PRO LYS VAL GLU GLN          
SEQRES  28 C  363  LEU SER ASN MET ILE VAL ARG SER CYS LYS CYS SER              
SEQRES   1 D  363  GLY PRO LEU SER THR SER LYS THR ILE ASP MET GLU LEU          
SEQRES   2 D  363  VAL LYS ARG LYS ARG ILE GLU ALA ILE ARG GLY GLN ILE          
SEQRES   3 D  363  LEU SER LYS LEU ARG LEU ALA SER PRO PRO SER GLN GLY          
SEQRES   4 D  363  ASP VAL PRO PRO GLY PRO LEU PRO GLU ALA VAL LEU ALA          
SEQRES   5 D  363  LEU TYR ASN SER THR ARG ASP ARG VAL ALA GLY GLU SER          
SEQRES   6 D  363  VAL GLU PRO GLU PRO GLU PRO GLU ALA ASP TYR TYR ALA          
SEQRES   7 D  363  LYS GLU VAL THR ARG VAL LEU MET VAL GLU SER GLY ASN          
SEQRES   8 D  363  GLN ILE TYR ASP LYS PHE LYS GLY THR PRO HIS SER LEU          
SEQRES   9 D  363  TYR MET LEU PHE ASN THR SER GLU LEU ARG GLU ALA VAL          
SEQRES  10 D  363  PRO GLU PRO VAL LEU LEU SER ARG ALA GLU LEU ARG LEU          
SEQRES  11 D  363  LEU ARG LEU LYS LEU LYS VAL GLU GLN HIS VAL GLU LEU          
SEQRES  12 D  363  TYR GLN LYS TYR SER GLN ASP SER TRP ARG TYR LEU SER          
SEQRES  13 D  363  ASN ARG LEU LEU ALA PRO SER ASP SER PRO GLU TRP LEU          
SEQRES  14 D  363  SER PHE ASP VAL THR GLY VAL VAL ARG GLN TRP LEU THR          
SEQRES  15 D  363  ARG ARG GLU ALA ILE GLU GLY PHE ARG LEU SER ALA HIS          
SEQRES  16 D  363  CYS SER CYS ASP SER LYS ASP ASN THR LEU HIS VAL GLU          
SEQRES  17 D  363  ILE ASN GLY PHE ASN SER GLY ARG ARG GLY ASP LEU ALA          
SEQRES  18 D  363  THR ILE HIS GLY MET ASN ARG PRO PHE LEU LEU LEU MET          
SEQRES  19 D  363  ALA THR PRO LEU GLU ARG ALA GLN HIS LEU HIS SER SER          
SEQRES  20 D  363  ARG HIS ARG ARG ALA LEU ASP THR ASN TYR CYS PHE SER          
SEQRES  21 D  363  SER THR GLU LYS ASN CYS CYS VAL ARG GLN LEU TYR ILE          
SEQRES  22 D  363  ASP PHE ARG LYS ASP LEU GLY TRP LYS TRP ILE HIS GLU          
SEQRES  23 D  363  PRO LYS GLY TYR HIS ALA ASN PHE CYS LEU GLY PRO CYS          
SEQRES  24 D  363  PRO TYR ILE TRP SER LEU ASP THR GLN TYR SER LYS VAL          
SEQRES  25 D  363  LEU ALA LEU TYR ASN GLN HIS ASN PRO GLY ALA SER ALA          
SEQRES  26 D  363  ALA PRO CYS CYS VAL PRO GLN ALA LEU GLU PRO LEU PRO          
SEQRES  27 D  363  ILE VAL TYR TYR VAL GLY ARG LYS PRO LYS VAL GLU GLN          
SEQRES  28 D  363  LEU SER ASN MET ILE VAL ARG SER CYS LYS CYS SER              
MODRES 3RJR ASN B   53  ASN  GLYCOSYLATION SITE                                 
MODRES 3RJR ASN C  107  ASN  GLYCOSYLATION SITE                                 
MODRES 3RJR ASN A   53  ASN  GLYCOSYLATION SITE                                 
MODRES 3RJR ASN D  107  ASN  GLYCOSYLATION SITE                                 
MODRES 3RJR ASN D   53  ASN  GLYCOSYLATION SITE                                 
MODRES 3RJR ASN C   53  ASN  GLYCOSYLATION SITE                                 
HET    NAG  E   1      14                                                       
HET    NAG  E   2      14                                                       
HET    NAG  F   1      14                                                       
HET    NAG  F   2      14                                                       
HET    NAG  A3053      14                                                       
HET    NAG  C3107      14                                                       
HET    NAG  D3053      14                                                       
HET    NAG  D3107      14                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
FORMUL   5  NAG    8(C8 H15 N O6)                                               
HELIX    1   1 PRO A    0  ARG A   29  1                                  30    
HELIX    2   2 PRO A   45  ASP A   57  1                                  13    
HELIX    3   3 ASN A  107  VAL A  115  1                                   9    
HELIX    4   4 VAL A  171  ARG A  181  1                                  11    
HELIX    5   5 PRO A  235  HIS A  241  1                                   7    
HELIX    6   6 PHE A  273  GLY A  278  1                                   6    
HELIX    7   7 TYR A  307  TYR A  314  1                                   8    
HELIX    8   8 LEU B    1  ARG B   29  1                                  29    
HELIX    9   9 PRO B   45  ASP B   57  1                                  13    
HELIX   10  10 PRO B   70  TYR B   75  1                                   6    
HELIX   11  11 ASN B  107  VAL B  115  1                                   9    
HELIX   12  12 VAL B  171  ARG B  181  1                                  11    
HELIX   13  13 PRO B  235  HIS B  241  1                                   7    
HELIX   14  14 ASP B  252  PHE B  257  1                                   6    
HELIX   15  15 PHE B  273  GLY B  278  1                                   6    
HELIX   16  16 LEU C    1  ARG C   29  1                                  29    
HELIX   17  17 PRO C   45  ASP C   57  1                                  13    
HELIX   18  18 ASN C  107  VAL C  115  1                                   9    
HELIX   19  19 VAL C  171  ARG C  181  1                                  11    
HELIX   20  20 PRO C  235  GLN C  240  1                                   6    
HELIX   21  21 ASP C  252  PHE C  257  1                                   6    
HELIX   22  22 PHE C  273  GLY C  278  1                                   6    
HELIX   23  23 TYR C  299  LEU C  303  5                                   5    
HELIX   24  24 GLN C  306  TYR C  314  1                                   9    
HELIX   25  25 PRO D    0  ARG D   29  1                                  30    
HELIX   26  26 PRO D   45  ASP D   57  1                                  13    
HELIX   27  27 ASN D  107  VAL D  115  1                                   9    
HELIX   28  28 VAL D  171  ARG D  181  1                                  11    
HELIX   29  29 PRO D  235  HIS D  241  1                                   7    
HELIX   30  30 ASP D  252  PHE D  257  1                                   6    
HELIX   31  31 PHE D  273  GLY D  278  1                                   6    
HELIX   32  32 GLN D  306  LEU D  313  1                                   8    
HELIX   33  33 TYR D  314  HIS D  317  5                                   4    
SHEET    1   A 8 ALA A  60  GLU A  62  0                                        
SHEET    2   A 8 TRP A 166  ASP A 170  1  O  TRP A 166   N  ALA A  60           
SHEET    3   A 8 ARG A 123  LEU A 129 -1  N  LEU A 128   O  LEU A 167           
SHEET    4   A 8 PHE A 228  ALA A 233 -1  O  PHE A 228   N  ARG A 127           
SHEET    5   A 8 LYS A  77  LEU A  83 -1  N  THR A  80   O  LEU A 231           
SHEET    6   A 8 LYS B 344  VAL B 355 -1  O  VAL B 347   N  VAL A  79           
SHEET    7   A 8 LEU B 332  VAL B 341 -1  N  GLU B 333   O  ILE B 354           
SHEET    8   A 8 ILE B 282  GLU B 284 -1  N  GLU B 284   O  VAL B 338           
SHEET    1   B 4 SER A 101  PHE A 106  0                                        
SHEET    2   B 4 GLU A 186  ALA A 192 -1  O  LEU A 190   N  LEU A 102           
SHEET    3   B 4 GLN A 137  LYS A 144 -1  N  TYR A 142   O  ARG A 189           
SHEET    4   B 4 TRP A 150  LEU A 158 -1  O  SER A 154   N  LEU A 141           
SHEET    1   C 4 CYS A 194  LYS A 199  0                                        
SHEET    2   C 4 THR A 202  ILE A 207 -1  O  HIS A 204   N  ASP A 197           
SHEET    3   C 4 THR D 202  ILE D 207 -1  O  VAL D 205   N  LEU A 203           
SHEET    4   C 4 CYS D 194  LYS D 199 -1  N  ASP D 197   O  HIS D 204           
SHEET    1   D 2 CYS A 265  ARG A 267  0                                        
SHEET    2   D 2 PHE A 292  LEU A 294 -1  O  PHE A 292   N  ARG A 267           
SHEET    1   E 2 TYR A 270  ASP A 272  0                                        
SHEET    2   E 2 GLY A 287  HIS A 289 -1  O  TYR A 288   N  ILE A 271           
SHEET    1   F 7 ILE A 282  GLU A 284  0                                        
SHEET    2   F 7 LEU A 332  VAL A 341 -1  O  VAL A 338   N  GLU A 284           
SHEET    3   F 7 LYS A 344  VAL A 355 -1  O  ILE A 354   N  GLU A 333           
SHEET    4   F 7 LYS B  77  LEU B  83 -1  O  VAL B  79   N  VAL A 347           
SHEET    5   F 7 PHE B 228  ALA B 233 -1  O  LEU B 231   N  THR B  80           
SHEET    6   F 7 ARG B 123  LEU B 129 -1  N  ARG B 127   O  PHE B 228           
SHEET    7   F 7 TRP B 166  ASP B 170 -1  O  LEU B 167   N  LEU B 128           
SHEET    1   G 2 CYS A 326  PRO A 329  0                                        
SHEET    2   G 2 CYS A 358  SER A 361 -1  O  LYS A 359   N  VAL A 328           
SHEET    1   H 4 SER B 101  PHE B 106  0                                        
SHEET    2   H 4 GLU B 186  ALA B 192 -1  O  LEU B 190   N  LEU B 102           
SHEET    3   H 4 GLN B 137  LYS B 144 -1  N  TYR B 142   O  ARG B 189           
SHEET    4   H 4 TRP B 150  LEU B 158 -1  O  SER B 154   N  LEU B 141           
SHEET    1   I 4 CYS B 194  LYS B 199  0                                        
SHEET    2   I 4 THR B 202  ILE B 207 -1  O  HIS B 204   N  ASP B 197           
SHEET    3   I 4 THR C 202  ILE C 207 -1  O  LEU C 203   N  VAL B 205           
SHEET    4   I 4 CYS C 194  LYS C 199 -1  N  ASP C 197   O  HIS C 204           
SHEET    1   J 2 CYS B 265  ARG B 267  0                                        
SHEET    2   J 2 PHE B 292  LEU B 294 -1  O  PHE B 292   N  ARG B 267           
SHEET    1   K 2 TYR B 270  ASP B 272  0                                        
SHEET    2   K 2 GLY B 287  HIS B 289 -1  O  TYR B 288   N  ILE B 271           
SHEET    1   L 2 VAL B 328  PRO B 329  0                                        
SHEET    2   L 2 CYS B 358  LYS B 359 -1  O  LYS B 359   N  VAL B 328           
SHEET    1   M 8 ALA C  60  GLU C  62  0                                        
SHEET    2   M 8 TRP C 166  ASP C 170  1  O  TRP C 166   N  ALA C  60           
SHEET    3   M 8 ARG C 123  LEU C 129 -1  N  LEU C 128   O  LEU C 167           
SHEET    4   M 8 PHE C 228  ALA C 233 -1  O  PHE C 228   N  ARG C 127           
SHEET    5   M 8 LYS C  77  LEU C  83 -1  N  THR C  80   O  LEU C 231           
SHEET    6   M 8 LYS D 344  VAL D 355 -1  O  VAL D 347   N  VAL C  79           
SHEET    7   M 8 LEU D 332  VAL D 341 -1  N  GLU D 333   O  ILE D 354           
SHEET    8   M 8 ILE D 282  GLU D 284 -1  N  GLU D 284   O  VAL D 338           
SHEET    1   N 4 SER C 101  PHE C 106  0                                        
SHEET    2   N 4 GLU C 186  ALA C 192 -1  O  LEU C 190   N  LEU C 102           
SHEET    3   N 4 GLN C 137  LYS C 144 -1  N  TYR C 142   O  ARG C 189           
SHEET    4   N 4 TRP C 150  LEU C 158 -1  O  SER C 154   N  LEU C 141           
SHEET    1   O 2 CYS C 265  ARG C 267  0                                        
SHEET    2   O 2 PHE C 292  LEU C 294 -1  O  PHE C 292   N  ARG C 267           
SHEET    1   P 2 TYR C 270  ASP C 272  0                                        
SHEET    2   P 2 GLY C 287  HIS C 289 -1  O  TYR C 288   N  ILE C 271           
SHEET    1   Q 8 ILE C 282  GLU C 284  0                                        
SHEET    2   Q 8 LEU C 332  VAL C 341 -1  O  VAL C 338   N  GLU C 284           
SHEET    3   Q 8 LYS C 344  VAL C 355 -1  O  ILE C 354   N  GLU C 333           
SHEET    4   Q 8 LYS D  77  LEU D  83 -1  O  VAL D  79   N  VAL C 347           
SHEET    5   Q 8 PHE D 228  ALA D 233 -1  O  LEU D 231   N  THR D  80           
SHEET    6   Q 8 ARG D 123  LEU D 129 -1  N  ARG D 127   O  PHE D 228           
SHEET    7   Q 8 TRP D 166  ASP D 170 -1  O  LEU D 167   N  LEU D 128           
SHEET    8   Q 8 ALA D  60  GLU D  62  1  N  ALA D  60   O  TRP D 166           
SHEET    1   R 2 CYS C 327  PRO C 329  0                                        
SHEET    2   R 2 CYS C 358  CYS C 360 -1  O  LYS C 359   N  VAL C 328           
SHEET    1   S 4 SER D 101  PHE D 106  0                                        
SHEET    2   S 4 GLU D 186  ALA D 192 -1  O  LEU D 190   N  LEU D 102           
SHEET    3   S 4 GLN D 137  LYS D 144 -1  N  TYR D 142   O  ARG D 189           
SHEET    4   S 4 TRP D 150  LEU D 158 -1  O  SER D 154   N  LEU D 141           
SHEET    1   T 2 CYS D 265  ARG D 267  0                                        
SHEET    2   T 2 PHE D 292  LEU D 294 -1  O  PHE D 292   N  ARG D 267           
SHEET    1   U 2 TYR D 270  ASP D 272  0                                        
SHEET    2   U 2 GLY D 287  HIS D 289 -1  O  TYR D 288   N  ILE D 271           
SHEET    1   V 2 CYS D 326  PRO D 329  0                                        
SHEET    2   V 2 CYS D 358  SER D 361 -1  O  LYS D 359   N  VAL D 328           
SSBOND   1 CYS A  194    CYS B  196                          1555   1555  2.03  
SSBOND   2 CYS A  196    CYS B  194                          1555   1555  2.03  
SSBOND   3 CYS A  256    CYS A  265                          1555   1555  2.03  
SSBOND   4 CYS A  264    CYS A  327                          1555   1555  2.03  
SSBOND   5 CYS A  293    CYS A  358                          1555   1555  2.03  
SSBOND   6 CYS A  297    CYS A  360                          1555   1555  2.03  
SSBOND   7 CYS A  326    CYS B  326                          1555   1555  2.03  
SSBOND   8 CYS B  256    CYS B  265                          1555   1555  2.03  
SSBOND   9 CYS B  264    CYS B  327                          1555   1555  2.03  
SSBOND  10 CYS B  293    CYS B  358                          1555   1555  2.03  
SSBOND  11 CYS B  297    CYS B  360                          1555   1555  2.03  
SSBOND  12 CYS C  194    CYS D  196                          1555   1555  2.03  
SSBOND  13 CYS C  196    CYS D  194                          1555   1555  2.02  
SSBOND  14 CYS C  256    CYS C  265                          1555   1555  2.03  
SSBOND  15 CYS C  264    CYS C  327                          1555   1555  2.03  
SSBOND  16 CYS C  293    CYS C  358                          1555   1555  2.03  
SSBOND  17 CYS C  297    CYS C  360                          1555   1555  2.03  
SSBOND  18 CYS C  326    CYS D  326                          1555   1555  2.03  
SSBOND  19 CYS D  256    CYS D  265                          1555   1555  2.03  
SSBOND  20 CYS D  264    CYS D  327                          1555   1555  2.03  
SSBOND  21 CYS D  293    CYS D  358                          1555   1555  2.03  
SSBOND  22 CYS D  297    CYS D  360                          1555   1555  2.03  
LINK         ND2 ASN A  53                 C1  NAG A3053     1555   1555  1.44  
LINK         ND2 ASN B  53                 C1  NAG E   1     1555   1555  1.44  
LINK         ND2 ASN C  53                 C1  NAG F   1     1555   1555  1.44  
LINK         ND2 ASN C 107                 C1  NAG C3107     1555   1555  1.44  
LINK         ND2 ASN D  53                 C1  NAG D3053     1555   1555  1.44  
LINK         ND2 ASN D 107                 C1  NAG D3107     1555   1555  1.44  
LINK         O4  NAG E   1                 C1  NAG E   2     1555   1555  1.44  
LINK         O4  NAG F   1                 C1  NAG F   2     1555   1555  1.44  
CISPEP   1 GLU A  284    PRO A  285          0        -0.14                     
CISPEP   2 GLU B  284    PRO B  285          0        -0.11                     
CISPEP   3 GLU C  284    PRO C  285          0        -0.21                     
CISPEP   4 GLU D  284    PRO D  285          0        -0.19                     
CRYST1   54.690  126.940  137.930  90.00  96.72  90.00 P 1 21 1      8          
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      0.018285  0.000000  0.002154        0.00000                         
SCALE2      0.000000  0.007878  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007300        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system