GenomeNet

Database: PDB
Entry: 1Y4E
LinkDB: 1Y4E
Original site: 1Y4E 
HEADER    MEMBRANE PROTEIN                        30-NOV-04   1Y4E              
TITLE     NMR STRUCTURE OF TRANSMEMBRANE SEGMENT IV OF THE NHE1                 
TITLE    2 ISOFORM OF THE NA+/H+ EXCHANGER                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SODIUM/HYDROGEN EXCHANGER 1;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: TRANSMEMBRANE SEGMENT IV;                                  
COMPND   5 SYNONYM: NA+, /H+, EXCHANGER 1, NHE-1, NA+/H+ ANTIPORTER,            
COMPND   6 AMILORIDE-SENSITIVE, APNH;                                           
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SLC9A1, APNH1, NHE1;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 (PLYSS);                          
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: GEV-1                                 
KEYWDS    NHE1 ISOFORM, TRANSMEMBRANE, MEMBRANE PROTEIN                         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    100                                                                   
AUTHOR    E.R.SLEPKOV,J.K.RAINEY,X.LI,Y.LIU,D.A.LINDHOUT,B.D.SYKES,             
AUTHOR   2 L.FLIEGEL                                                            
REVDAT   3   24-FEB-09 1Y4E    1       VERSN                                    
REVDAT   2   10-MAY-05 1Y4E    1       JRNL                                     
REVDAT   1   01-FEB-05 1Y4E    0                                                
JRNL        AUTH   E.R.SLEPKOV,J.K.RAINEY,X.LI,Y.LIU,F.J.CHENG,                 
JRNL        AUTH 2 D.A.LINDHOUT,B.D.SYKES,L.FLIEGEL                             
JRNL        TITL   STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF                
JRNL        TITL 2 TRANSMEMBRANE SEGMENT IV OF THE NHE1 ISOFORM OF              
JRNL        TITL 3 THE NA+/H+ EXCHANGER.                                        
JRNL        REF    J.BIOL.CHEM.                  V. 280 17863 2005              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   15677483                                                     
JRNL        DOI    10.1074/JBC.M409608200                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   D.A.LINDHOUT,A.THIESSEN,D.SCHIEVE,B.D.SYKES                  
REMARK   1  TITL   HIGH-YIELD EXPRESSION OF ISOTOPICALLY LABELED                
REMARK   1  TITL 2 PEPTIDES FOR USE IN NMR STUDIES                              
REMARK   1  REF    PROTEIN SCI.                  V.  12  1786 2003              
REMARK   1  REFN                   ISSN 0961-8368                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : A.T.BRUNGER, P.D.ADAMS, G.M.CLORE, W.L.DELANO,       
REMARK   3                 P.GROS, R.W.GROSSE-KUNSTLEVE, J.-S.JIANG,            
REMARK   3                 J.KUSZEWSKI, M.NILGES, N.S.PANNU, R.J.READ,          
REMARK   3                 L.M.RICE, T.SIMONSON, G.L.WARREN                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 15 ROUNDS OF SIMULATED ANNEALING          
REMARK   3  WERE CARRIED OUT TO OPTIMIZE INCLUDED NOE CONTACTS AND              
REMARK   3  LENGTHS, AS WELL AS J-HNHA. FINALLY, HOMOSERINE LACTONE WAS         
REMARK   3  INCLUDED. THE ENSEMBLE OF STRUCTURES GIVEN IS SUPERPOSED OVER       
REMARK   3  THE REGION I169-F176. OTHER USEFUL SUPERPOSITIONS THAT SHOULD       
REMARK   3  BE EXAMINED ARE D159-L163 AND L165-P168.                            
REMARK   4                                                                      
REMARK   4 1Y4E COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-DEC-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB031101.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2 MM TM IV, UNLABELLED; 1 MM       
REMARK 210                                   DSS, CDCL3:CD3OH:H2O (4:4:1 V:     
REMARK 210                                   V:V); 2 MM TM IV, U-15N; 1 MM      
REMARK 210                                   DSS, CDCL3:CD3OH:H2O (4:4:1 V:     
REMARK 210                                   V:V)                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 2D TOCSY, DQF-COSY,      
REMARK 210                                   HNHA                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 600 MHZ, 500 MHZ          
REMARK 210  SPECTROMETER MODEL             : INOVA, UNITY                       
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR VARIOUS, NMRPIPE 2.3,         
REMARK 210                                   SPARKY 3.109 AND 3.110, CNS 1.1    
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 100                                
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES WITH THE EXCEPTION THAT HNHA J-COUPLING      
REMARK 210  CONSTANTS WERE INCORPORATED.                                        
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 LEU A 156       98.79   -165.35                                   
REMARK 500  1 GLN A 157      -31.35   -172.09                                   
REMARK 500  1 ASP A 159      -59.47     73.48                                   
REMARK 500  1 VAL A 160      -44.55     87.73                                   
REMARK 500  1 PHE A 164      -70.91    -76.71                                   
REMARK 500  1 PRO A 168       39.90    -80.98                                   
REMARK 500  1 ILE A 169      -71.24    -79.13                                   
REMARK 500  1 ALA A 173      -71.10    -71.75                                   
REMARK 500  1 TYR A 175      -61.90     69.74                                   
REMARK 500  2 GLN A 157       46.84   -168.97                                   
REMARK 500  2 SER A 158       56.30   -164.66                                   
REMARK 500  2 ASP A 159      -51.54     78.88                                   
REMARK 500  2 VAL A 160      -54.06     71.14                                   
REMARK 500  2 PHE A 162       11.88   -160.93                                   
REMARK 500  2 LEU A 166       41.81   -158.10                                   
REMARK 500  2 TYR A 175      -25.73     76.02                                   
REMARK 500  2 PRO A 178       90.95    -48.75                                   
REMARK 500  3 GLN A 157      -55.07   -170.53                                   
REMARK 500  3 ASP A 159      -47.00     72.74                                   
REMARK 500  3 VAL A 160      -52.52     90.17                                   
REMARK 500  3 PHE A 161       32.99    -78.53                                   
REMARK 500  3 PHE A 162      -14.23   -169.41                                   
REMARK 500  3 LEU A 165      -30.79     86.57                                   
REMARK 500  3 ALA A 173      -70.36    -71.67                                   
REMARK 500  3 TYR A 175      -20.14     79.15                                   
REMARK 500  3 PHE A 176       46.52    -94.83                                   
REMARK 500  4 LEU A 156      -76.53   -164.35                                   
REMARK 500  4 GLN A 157       -5.67     80.92                                   
REMARK 500  4 SER A 158      -47.18     76.38                                   
REMARK 500  4 VAL A 160      -50.60     66.94                                   
REMARK 500  4 PHE A 164      -71.74    -75.32                                   
REMARK 500  4 LEU A 166      110.93   -160.79                                   
REMARK 500  4 ASP A 172       13.84   -152.40                                   
REMARK 500  4 TYR A 175      -45.88     73.63                                   
REMARK 500  4 PRO A 178       60.83    -68.33                                   
REMARK 500  5 GLN A 157      -39.58   -170.87                                   
REMARK 500  5 ASP A 159      -62.18     78.12                                   
REMARK 500  5 VAL A 160      -47.87     82.01                                   
REMARK 500  5 PHE A 162        8.26   -166.23                                   
REMARK 500  5 PHE A 164       -1.74     59.42                                   
REMARK 500  5 LEU A 166       56.77   -164.47                                   
REMARK 500  5 PRO A 167      105.82    -51.28                                   
REMARK 500  5 ILE A 169     -108.75    -72.72                                   
REMARK 500  5 ILE A 170      -64.65     24.19                                   
REMARK 500  5 TYR A 175      -48.11     70.90                                   
REMARK 500  5 PRO A 178       86.24    -50.52                                   
REMARK 500  5 LEU A 179      -60.29    -93.81                                   
REMARK 500  6 SER A 158       38.61   -163.46                                   
REMARK 500  6 ASP A 159      -57.01   -162.27                                   
REMARK 500  6 VAL A 160      -63.63     63.46                                   
REMARK 500  6 PHE A 162       12.61   -168.94                                   
REMARK 500  6 PHE A 164       27.35     49.18                                   
REMARK 500  6 LEU A 165      -26.46     90.05                                   
REMARK 500  6 LEU A 166      103.68   -161.56                                   
REMARK 500  6 ILE A 170      -70.37    -83.75                                   
REMARK 500  6 TYR A 175      -34.11     78.10                                   
REMARK 500  6 PRO A 178     -156.45    -55.05                                   
REMARK 500  6 LEU A 179       70.65     76.70                                   
REMARK 500  7 GLN A 157      -79.41   -169.65                                   
REMARK 500  7 SER A 158       27.98   -164.28                                   
REMARK 500  7 ASP A 159      -53.26   -159.64                                   
REMARK 500  7 VAL A 160      -49.66     83.97                                   
REMARK 500  7 TYR A 175      -31.52     74.56                                   
REMARK 500  7 PHE A 176       50.25    -90.14                                   
REMARK 500  7 LEU A 177       67.16     62.45                                   
REMARK 500  7 PRO A 178     -140.92    -58.98                                   
REMARK 500  7 LEU A 179       76.99     86.67                                   
REMARK 500  8 LEU A 156      -98.09   -166.39                                   
REMARK 500  8 GLN A 157       75.38     73.20                                   
REMARK 500  8 ASP A 159      -59.03     75.46                                   
REMARK 500  8 VAL A 160      -51.54     83.74                                   
REMARK 500  8 PHE A 161       39.99    -76.40                                   
REMARK 500  8 PHE A 162      -24.11   -165.52                                   
REMARK 500  8 LEU A 165      -25.13     74.27                                   
REMARK 500  8 PRO A 167      109.54    -44.89                                   
REMARK 500  8 PRO A 168       79.24    -68.16                                   
REMARK 500  8 TYR A 175      -41.70     77.63                                   
REMARK 500  9 LEU A 156      -74.71     65.29                                   
REMARK 500  9 GLN A 157      -32.54     96.00                                   
REMARK 500  9 ASP A 159      -46.13     79.64                                   
REMARK 500  9 VAL A 160      -53.10     67.12                                   
REMARK 500  9 LEU A 166       88.87   -161.59                                   
REMARK 500  9 TYR A 175      -29.96     71.78                                   
REMARK 500  9 PRO A 178       93.16    -44.60                                   
REMARK 500 10 LEU A 156      117.78   -166.24                                   
REMARK 500 10 GLN A 157       89.69   -172.08                                   
REMARK 500 10 SER A 158      -53.66     78.07                                   
REMARK 500 10 ASP A 159      -33.13   -165.49                                   
REMARK 500 10 VAL A 160      -52.70     80.63                                   
REMARK 500 10 PHE A 161       38.39    -76.12                                   
REMARK 500 10 PHE A 162      -48.61   -165.44                                   
REMARK 500 10 LEU A 165      -52.21   -177.06                                   
REMARK 500 10 TYR A 175      -61.60     68.69                                   
REMARK 500 11 GLN A 157       74.87     76.89                                   
REMARK 500 11 ASP A 159      -54.66     73.86                                   
REMARK 500 11 VAL A 160      -49.34     87.84                                   
REMARK 500 11 PRO A 168     -151.16    -79.14                                   
REMARK 500 11 ILE A 169      -45.20   -161.03                                   
REMARK 500 11 TYR A 175      -32.91     59.23                                   
REMARK 500 11 PRO A 178       83.71    -51.94                                   
REMARK 500 11 LEU A 179      -64.45    -92.06                                   
REMARK 500 12 LEU A 156     -163.11   -166.21                                   
REMARK 500 12 GLN A 157       60.10     82.70                                   
REMARK 500 12 ASP A 159      -53.62     76.50                                   
REMARK 500 12 VAL A 160      -54.20     70.63                                   
REMARK 500 12 PHE A 162       14.52   -163.50                                   
REMARK 500 12 LEU A 166       39.85   -161.11                                   
REMARK 500 12 PRO A 167      101.68    -50.44                                   
REMARK 500 12 PRO A 168      -97.36    -74.21                                   
REMARK 500 12 ILE A 169      -39.02     82.38                                   
REMARK 500 12 TYR A 175      -20.39     77.66                                   
REMARK 500 12 PRO A 178       69.56    -63.59                                   
REMARK 500 13 GLN A 157      -37.62   -170.61                                   
REMARK 500 13 ASP A 159      -62.84     76.11                                   
REMARK 500 13 VAL A 160      -46.81     67.85                                   
REMARK 500 13 PHE A 162       17.82   -165.45                                   
REMARK 500 13 LEU A 166       82.69   -161.24                                   
REMARK 500 13 PRO A 168       40.43    -80.52                                   
REMARK 500 13 ALA A 173      -70.05    -72.46                                   
REMARK 500 13 TYR A 175      -22.92     75.25                                   
REMARK 500 14 LEU A 156      108.38     64.83                                   
REMARK 500 14 GLN A 157       83.23   -169.98                                   
REMARK 500 14 SER A 158       72.56     52.00                                   
REMARK 500 14 ASP A 159      -52.30     57.58                                   
REMARK 500 14 VAL A 160      -53.45     82.53                                   
REMARK 500 14 PHE A 161       40.70    -76.00                                   
REMARK 500 14 PHE A 162      -57.42   -168.23                                   
REMARK 500 14 PHE A 164       43.66    -79.21                                   
REMARK 500 14 LEU A 165      -40.07     81.22                                   
REMARK 500 14 PRO A 168       61.63    -68.84                                   
REMARK 500 14 TYR A 175      -12.28     77.44                                   
REMARK 500 14 PRO A 178     -151.04    -53.85                                   
REMARK 500 14 LEU A 179       68.79     72.10                                   
REMARK 500 15 GLN A 157       78.62     78.88                                   
REMARK 500 15 ASP A 159      -59.25     71.65                                   
REMARK 500 15 VAL A 160      -51.43     75.98                                   
REMARK 500 15 PHE A 162        5.29   -167.84                                   
REMARK 500 15 PHE A 164        7.81     56.68                                   
REMARK 500 15 LEU A 166       49.82   -161.93                                   
REMARK 500 15 PRO A 168       42.62    -90.78                                   
REMARK 500 15 TYR A 175      -44.04     71.12                                   
REMARK 500 15 PRO A 178      -12.54    -48.89                                   
REMARK 500 16 LEU A 156       21.32   -164.72                                   
REMARK 500 16 ASP A 159      -61.08     70.75                                   
REMARK 500 16 VAL A 160      -46.53     83.33                                   
REMARK 500 16 PHE A 162       12.74   -165.72                                   
REMARK 500 16 LEU A 166       58.97   -164.88                                   
REMARK 500 16 PRO A 168       45.15    -64.60                                   
REMARK 500 16 ALA A 173      -73.17    -72.85                                   
REMARK 500 16 TYR A 175      -46.73     69.70                                   
REMARK 500 16 PRO A 178     -155.42    -55.70                                   
REMARK 500 16 LEU A 179       73.74     80.98                                   
REMARK 500 17 GLN A 157       18.67   -165.79                                   
REMARK 500 17 SER A 158       32.83   -169.87                                   
REMARK 500 17 VAL A 160      -50.25     80.77                                   
REMARK 500 17 PHE A 161       24.70    -77.51                                   
REMARK 500 17 PHE A 162       -3.32   -163.53                                   
REMARK 500 17 LEU A 166       53.71   -161.48                                   
REMARK 500 17 PRO A 168       33.02    -90.70                                   
REMARK 500 17 TYR A 175      -29.10     79.36                                   
REMARK 500 17 PRO A 178       90.07    -45.72                                   
REMARK 500 17 LEU A 179      -65.63   -107.07                                   
REMARK 500 18 GLN A 157      -55.08   -170.35                                   
REMARK 500 18 ASP A 159      -48.19     72.99                                   
REMARK 500 18 VAL A 160      -60.76     77.57                                   
REMARK 500 18 PHE A 164     -120.22    -78.49                                   
REMARK 500 18 ILE A 169      -45.12   -160.93                                   
REMARK 500 18 TYR A 175      -30.50     77.76                                   
REMARK 500 18 PRO A 178       87.52    -55.83                                   
REMARK 500 19 GLN A 157      -81.67   -170.65                                   
REMARK 500 19 ASP A 159      -40.69     78.19                                   
REMARK 500 19 VAL A 160      -46.03     92.97                                   
REMARK 500 19 PHE A 164      -74.64    -78.90                                   
REMARK 500 19 PRO A 168       41.82    -94.89                                   
REMARK 500 19 TYR A 175       -8.97     77.01                                   
REMARK 500 19 PRO A 178       87.28    -48.51                                   
REMARK 500 20 LEU A 156       91.93   -164.91                                   
REMARK 500 20 GLN A 157      -43.97   -169.86                                   
REMARK 500 20 ASP A 159      -53.55     75.06                                   
REMARK 500 20 VAL A 160      -47.93     89.10                                   
REMARK 500 20 LEU A 165      -71.46    -62.34                                   
REMARK 500 20 LEU A 166      118.28   -162.03                                   
REMARK 500 20 PRO A 168       32.18    -81.09                                   
REMARK 500 20 ILE A 169     -100.31    -74.98                                   
REMARK 500 20 ILE A 170      -66.02     27.11                                   
REMARK 500 20 TYR A 175      -36.92     75.36                                   
REMARK 500 20 PRO A 178     -173.04    -55.01                                   
REMARK 500 20 LEU A 179       72.16     77.38                                   
REMARK 500 21 LEU A 156       66.62   -165.76                                   
REMARK 500 21 GLN A 157      -20.13   -172.65                                   
REMARK 500 21 ASP A 159      -37.08   -168.51                                   
REMARK 500 21 VAL A 160      -50.14     67.98                                   
REMARK 500 21 PHE A 162       11.87   -159.13                                   
REMARK 500 21 LEU A 166       78.56   -162.15                                   
REMARK 500 21 ALA A 173      -74.26    -74.51                                   
REMARK 500 21 TYR A 175      -47.34     75.09                                   
REMARK 500 22 GLN A 157      -58.96   -170.08                                   
REMARK 500 22 ASP A 159      -48.78     75.58                                   
REMARK 500 22 VAL A 160      -64.91     82.91                                   
REMARK 500 22 PHE A 161       46.05    -75.62                                   
REMARK 500 22 PHE A 162      -53.19   -171.95                                   
REMARK 500 22 LEU A 166       67.62   -162.12                                   
REMARK 500 22 TYR A 175      -47.33     70.16                                   
REMARK 500 22 PRO A 178     -161.24    -50.69                                   
REMARK 500 22 LEU A 179       -2.35     80.35                                   
REMARK 500 23 ASP A 159      -38.18   -164.17                                   
REMARK 500 23 VAL A 160      -38.26     81.40                                   
REMARK 500 23 LEU A 166       99.64   -160.16                                   
REMARK 500 23 TYR A 175      -37.32     58.51                                   
REMARK 500 24 GLN A 157      -83.38    -70.08                                   
REMARK 500 24 SER A 158       31.27   -163.15                                   
REMARK 500 24 ASP A 159      -54.60   -162.09                                   
REMARK 500 24 VAL A 160      -55.84     66.84                                   
REMARK 500 24 PHE A 162       12.49   -161.07                                   
REMARK 500 24 LEU A 166       53.52   -161.29                                   
REMARK 500 24 PRO A 167      107.16    -52.13                                   
REMARK 500 24 TYR A 175      -55.80     70.13                                   
REMARK 500 24 PRO A 178      -84.19    -44.86                                   
REMARK 500 25 GLN A 157       72.94   -170.28                                   
REMARK 500 25 SER A 158      -59.69     60.99                                   
REMARK 500 25 ASP A 159      -31.49   -158.20                                   
REMARK 500 25 VAL A 160      -51.45     80.46                                   
REMARK 500 25 PHE A 161       20.25    -76.96                                   
REMARK 500 25 PHE A 162       -4.44   -164.35                                   
REMARK 500 25 LEU A 165      -28.02     84.73                                   
REMARK 500 25 PRO A 168       80.88    -62.63                                   
REMARK 500 25 TYR A 175      -29.83     78.83                                   
REMARK 500 25 PRO A 178       68.93    -64.81                                   
REMARK 500 26 GLN A 157       26.98   -167.73                                   
REMARK 500 26 SER A 158       36.43   -168.48                                   
REMARK 500 26 ASP A 159      -30.15     82.42                                   
REMARK 500 26 VAL A 160      -45.76     81.03                                   
REMARK 500 26 PHE A 162        7.69   -160.29                                   
REMARK 500 26 LEU A 165      -66.20   -176.53                                   
REMARK 500 26 TYR A 175      -59.79     55.10                                   
REMARK 500 27 GLN A 157       80.67   -173.79                                   
REMARK 500 27 SER A 158       68.09     63.81                                   
REMARK 500 27 ASP A 159      -60.59     76.17                                   
REMARK 500 27 VAL A 160      -46.21     76.27                                   
REMARK 500 27 PHE A 162       13.78   -162.43                                   
REMARK 500 27 LEU A 166       44.41   -159.92                                   
REMARK 500 27 TYR A 175      -40.68     72.25                                   
REMARK 500 27 PRO A 178     -174.99    -53.54                                   
REMARK 500 27 LEU A 179       71.43     69.52                                   
REMARK 500 28 ASP A 159      -63.78     69.15                                   
REMARK 500 28 VAL A 160      -53.17     68.08                                   
REMARK 500 28 PHE A 162       15.31   -169.08                                   
REMARK 500 28 PHE A 164        8.27     53.89                                   
REMARK 500 28 LEU A 166       47.83   -161.18                                   
REMARK 500 28 TYR A 175      -56.83     70.35                                   
REMARK 500 28 PRO A 178       68.27    -62.05                                   
REMARK 500 28 LEU A 179      -66.13   -128.86                                   
REMARK 500 29 LEU A 156       78.56     38.97                                   
REMARK 500 29 GLN A 157       44.16   -169.01                                   
REMARK 500 29 SER A 158      -40.64   -165.53                                   
REMARK 500 29 ASP A 159      -35.96   -167.24                                   
REMARK 500 29 VAL A 160      -50.41     78.93                                   
REMARK 500 29 PHE A 162        2.75   -165.45                                   
REMARK 500 29 LEU A 165      -32.49     84.48                                   
REMARK 500 29 TYR A 175      -11.46     75.58                                   
REMARK 500 29 PRO A 178      -18.51    -46.92                                   
REMARK 500 30 LEU A 156     -161.47     48.66                                   
REMARK 500 30 GLN A 157       92.93   -169.75                                   
REMARK 500 30 SER A 158       75.67     47.74                                   
REMARK 500 30 ASP A 159      -60.05     75.26                                   
REMARK 500 30 VAL A 160      -49.15     85.88                                   
REMARK 500 30 PHE A 161       25.52    -76.73                                   
REMARK 500 30 PHE A 162      -22.73   -166.78                                   
REMARK 500 30 LEU A 163        0.16    -63.42                                   
REMARK 500 30 LEU A 165      -45.68   -172.81                                   
REMARK 500 30 TYR A 175      -51.06     70.91                                   
REMARK 500 30 PRO A 178     -145.95    -54.76                                   
REMARK 500 30 LEU A 179       76.63     83.61                                   
REMARK 500 31 LEU A 156       99.76     66.64                                   
REMARK 500 31 ASP A 159      -58.37     63.34                                   
REMARK 500 31 VAL A 160      -40.39     80.29                                   
REMARK 500 31 PHE A 161       34.26    -77.98                                   
REMARK 500 31 PHE A 162      -55.74   -170.67                                   
REMARK 500 31 LEU A 165      -40.42     79.83                                   
REMARK 500 31 PRO A 168       74.55    -68.09                                   
REMARK 500 31 TYR A 175      -57.65     66.36                                   
REMARK 500 32 LEU A 156       84.73   -162.94                                   
REMARK 500 32 SER A 158       62.18   -163.86                                   
REMARK 500 32 ASP A 159      -27.36     82.23                                   
REMARK 500 32 VAL A 160      -52.58     79.14                                   
REMARK 500 32 PHE A 161       37.92    -75.56                                   
REMARK 500 32 PHE A 162      -22.82   -162.39                                   
REMARK 500 32 PHE A 164       91.90     59.85                                   
REMARK 500 32 LEU A 165      -48.35     87.33                                   
REMARK 500 32 ILE A 169      -43.63   -170.35                                   
REMARK 500 32 TYR A 175      -10.61     75.89                                   
REMARK 500 32 PRO A 178     -137.48    -53.99                                   
REMARK 500 32 LEU A 179       74.83     84.45                                   
REMARK 500 33 ASP A 159      -55.76   -163.86                                   
REMARK 500 33 VAL A 160      -47.58     74.93                                   
REMARK 500 33 LEU A 165      -74.81   -170.97                                   
REMARK 500 33 LEU A 166       83.21   -160.50                                   
REMARK 500 33 ILE A 169      -38.36     79.48                                   
REMARK 500 33 TYR A 175      -52.51     57.54                                   
REMARK 500 33 LEU A 179       61.73     63.73                                   
REMARK 500 34 LEU A 156      119.94     60.40                                   
REMARK 500 34 GLN A 157       42.66   -170.34                                   
REMARK 500 34 SER A 158      -59.40     74.86                                   
REMARK 500 34 VAL A 160      -54.59     69.51                                   
REMARK 500 34 LEU A 165      -78.48    -62.65                                   
REMARK 500 34 ILE A 169     -101.07    -72.25                                   
REMARK 500 34 ILE A 170      -62.71     25.63                                   
REMARK 500 34 TYR A 175      -57.63     69.29                                   
REMARK 500 35 LEU A 156      -71.61   -167.68                                   
REMARK 500 35 GLN A 157       56.47     75.96                                   
REMARK 500 35 SER A 158       60.24     61.16                                   
REMARK 500 35 ASP A 159      -59.63     76.09                                   
REMARK 500 35 VAL A 160      -46.30     85.13                                   
REMARK 500 35 PHE A 162       11.40   -164.46                                   
REMARK 500 35 PHE A 164       29.20     48.94                                   
REMARK 500 35 LEU A 165      -30.71     89.70                                   
REMARK 500 35 LEU A 166       83.77   -165.24                                   
REMARK 500 35 TYR A 175      -53.59     68.99                                   
REMARK 500 35 PRO A 178       79.98    -56.51                                   
REMARK 500 36 GLN A 157      -31.33   -171.24                                   
REMARK 500 36 ASP A 159      -63.81     76.92                                   
REMARK 500 36 VAL A 160      -46.63     71.61                                   
REMARK 500 36 PHE A 162       15.67   -164.01                                   
REMARK 500 36 LEU A 166       77.54   -161.34                                   
REMARK 500 36 ILE A 169      -44.64   -171.85                                   
REMARK 500 36 ALA A 173      -76.15    -75.14                                   
REMARK 500 36 TYR A 175      -43.47     77.48                                   
REMARK 500 36 PRO A 178     -154.54    -55.63                                   
REMARK 500 36 LEU A 179       68.47     77.27                                   
REMARK 500 37 GLN A 157       87.59   -170.40                                   
REMARK 500 37 SER A 158      -56.00     78.77                                   
REMARK 500 37 ASP A 159      -31.76   -167.93                                   
REMARK 500 37 VAL A 160      -55.12     82.93                                   
REMARK 500 37 PHE A 161       32.34    -75.06                                   
REMARK 500 37 PHE A 162      -17.21   -169.96                                   
REMARK 500 37 PHE A 164      -13.25     61.87                                   
REMARK 500 37 LEU A 166       95.84   -160.19                                   
REMARK 500 37 ILE A 169      -45.35   -159.14                                   
REMARK 500 37 ALA A 173      -70.80    -71.73                                   
REMARK 500 37 TYR A 175      -13.53     71.25                                   
REMARK 500 37 PRO A 178       59.11    -68.90                                   
REMARK 500 38 LEU A 156       77.28   -165.33                                   
REMARK 500 38 ASP A 159      -51.87   -159.39                                   
REMARK 500 38 VAL A 160      -58.58     76.45                                   
REMARK 500 38 LEU A 166       98.66   -160.90                                   
REMARK 500 38 TYR A 175      -10.11     68.66                                   
REMARK 500 38 PRO A 178       81.76    -60.52                                   
REMARK 500 38 LEU A 179      -75.63    -93.30                                   
REMARK 500 39 LEU A 156     -179.04     65.37                                   
REMARK 500 39 GLN A 157       41.46   -170.47                                   
REMARK 500 39 SER A 158      -59.87     68.48                                   
REMARK 500 39 ASP A 159      -22.85   -148.27                                   
REMARK 500 39 VAL A 160      -50.10     56.95                                   
REMARK 500 39 PHE A 162       12.83   -164.82                                   
REMARK 500 39 LEU A 166       61.33   -160.76                                   
REMARK 500 39 PRO A 168       45.24    -92.28                                   
REMARK 500 39 TYR A 175      -53.07     70.08                                   
REMARK 500 39 PRO A 178       83.32    -52.95                                   
REMARK 500 39 LEU A 179      -69.11   -130.56                                   
REMARK 500 40 GLN A 157       61.79   -167.99                                   
REMARK 500 40 SER A 158       45.52   -165.13                                   
REMARK 500 40 ASP A 159      -56.89     78.25                                   
REMARK 500 40 VAL A 160      -56.44     66.23                                   
REMARK 500 40 PHE A 162        0.97   -169.68                                   
REMARK 500 40 PHE A 164       81.57     60.42                                   
REMARK 500 40 LEU A 165      -52.16   -170.51                                   
REMARK 500 40 LEU A 166       54.34   -161.20                                   
REMARK 500 40 PRO A 167      104.83    -54.20                                   
REMARK 500 40 TYR A 175      -21.63     79.44                                   
REMARK 500 40 PHE A 176       53.71    -94.70                                   
REMARK 500 41 GLN A 157      -38.67   -170.13                                   
REMARK 500 41 ASP A 159      -50.07     87.60                                   
REMARK 500 41 VAL A 160      -47.87     73.86                                   
REMARK 500 41 PHE A 162        3.24   -165.16                                   
REMARK 500 41 LEU A 165      -31.70     86.54                                   
REMARK 500 41 PRO A 168       76.51    -69.18                                   
REMARK 500 41 TYR A 175      -12.64     69.44                                   
REMARK 500 41 PHE A 176       37.67    -94.73                                   
REMARK 500 41 PRO A 178      -80.70    -40.16                                   
REMARK 500 42 GLN A 157       35.27     80.34                                   
REMARK 500 42 SER A 158       75.85   -164.72                                   
REMARK 500 42 ASP A 159      -57.18     76.94                                   
REMARK 500 42 VAL A 160      -45.17     70.65                                   
REMARK 500 42 PHE A 162       19.81   -162.86                                   
REMARK 500 42 LEU A 165      -74.82    -65.27                                   
REMARK 500 42 LEU A 166      101.35   -164.44                                   
REMARK 500 42 PRO A 168       48.84    -78.22                                   
REMARK 500 42 TYR A 175      -13.74     77.00                                   
REMARK 500 42 PHE A 176       37.90    -95.36                                   
REMARK 500 42 PRO A 178      -70.07    -41.77                                   
REMARK 500 43 ASP A 159      -68.20   -162.75                                   
REMARK 500 43 VAL A 160      -58.95     69.50                                   
REMARK 500 43 PHE A 162       -7.14   -172.18                                   
REMARK 500 43 LEU A 165      -33.01     88.18                                   
REMARK 500 43 LEU A 166       99.49   -166.01                                   
REMARK 500 43 ILE A 169      -46.91   -166.56                                   
REMARK 500 43 TYR A 175      -17.29     72.47                                   
REMARK 500 43 PRO A 178     -179.73    -47.11                                   
REMARK 500 43 LEU A 179       71.85     74.55                                   
REMARK 500 44 GLN A 157       81.25   -167.66                                   
REMARK 500 44 ASP A 159      -60.05     71.42                                   
REMARK 500 44 VAL A 160      -49.82     73.39                                   
REMARK 500 44 PHE A 162        9.74   -158.90                                   
REMARK 500 44 LEU A 165      -23.35     85.64                                   
REMARK 500 44 TYR A 175      -63.34     53.72                                   
REMARK 500 44 PRO A 178     -154.62    -58.02                                   
REMARK 500 44 LEU A 179       67.24     71.42                                   
REMARK 500 45 LEU A 156     -178.14     43.28                                   
REMARK 500 45 GLN A 157      -85.91   -172.25                                   
REMARK 500 45 ASP A 159      -47.19     79.61                                   
REMARK 500 45 VAL A 160      -51.50     83.82                                   
REMARK 500 45 PHE A 161       35.21    -76.67                                   
REMARK 500 45 PHE A 162      -19.44   -172.02                                   
REMARK 500 45 LEU A 165      -29.49   -172.62                                   
REMARK 500 45 LEU A 166       54.63   -156.55                                   
REMARK 500 45 ILE A 169      -33.85     80.94                                   
REMARK 500 45 TYR A 175      -25.13     75.43                                   
REMARK 500 45 PRO A 178     -155.49    -54.15                                   
REMARK 500 45 LEU A 179       80.81     87.92                                   
REMARK 500 46 GLN A 157       89.57   -172.05                                   
REMARK 500 46 SER A 158      -53.64     79.67                                   
REMARK 500 46 ASP A 159      -29.93   -165.73                                   
REMARK 500 46 VAL A 160      -53.51     83.16                                   
REMARK 500 46 PHE A 161       32.67    -74.91                                   
REMARK 500 46 PHE A 162      -12.60   -167.67                                   
REMARK 500 46 LEU A 165      -19.82     83.06                                   
REMARK 500 46 LEU A 166       83.61   -167.17                                   
REMARK 500 46 TYR A 175      -55.60     72.57                                   
REMARK 500 47 LEU A 156      -37.70   -166.80                                   
REMARK 500 47 ASP A 159      -64.78     68.87                                   
REMARK 500 47 VAL A 160      -42.74     69.64                                   
REMARK 500 47 PHE A 162       21.90   -162.29                                   
REMARK 500 47 PHE A 164       31.92    -82.64                                   
REMARK 500 47 LEU A 165      -46.78   -171.38                                   
REMARK 500 47 PRO A 168       47.04    -89.37                                   
REMARK 500 47 TYR A 175      -53.34     73.11                                   
REMARK 500 47 PRO A 178     -162.93    -54.89                                   
REMARK 500 47 LEU A 179       69.18     71.57                                   
REMARK 500 48 LEU A 156      -92.98     55.15                                   
REMARK 500 48 SER A 158      -11.00     77.93                                   
REMARK 500 48 ASP A 159      -38.74   -167.49                                   
REMARK 500 48 VAL A 160      -51.93     84.08                                   
REMARK 500 48 LEU A 166       97.55   -161.63                                   
REMARK 500 48 TYR A 175      -11.03     77.87                                   
REMARK 500 48 PRO A 178      -78.10    -43.17                                   
REMARK 500 49 LEU A 156       21.98   -163.34                                   
REMARK 500 49 SER A 158       35.79    -80.13                                   
REMARK 500 49 ASP A 159      -14.77     75.25                                   
REMARK 500 49 VAL A 160      -48.67     87.23                                   
REMARK 500 49 LEU A 165      -38.74   -173.60                                   
REMARK 500 49 PRO A 168     -152.76    -87.22                                   
REMARK 500 49 ILE A 169      -40.03   -157.78                                   
REMARK 500 49 TYR A 175      -10.19     75.66                                   
REMARK 500 49 LEU A 179       61.94     65.94                                   
REMARK 500 50 LEU A 156       45.73   -164.74                                   
REMARK 500 50 GLN A 157      -35.27   -170.09                                   
REMARK 500 50 ASP A 159      -60.62     73.24                                   
REMARK 500 50 VAL A 160      -58.92     69.28                                   
REMARK 500 50 PHE A 162        9.00   -167.18                                   
REMARK 500 50 PHE A 164       -9.51     63.47                                   
REMARK 500 50 LEU A 165      -76.25    -69.76                                   
REMARK 500 50 LEU A 166       53.37   -163.62                                   
REMARK 500 50 PRO A 167      106.93    -53.69                                   
REMARK 500 50 PRO A 168       48.63    -78.73                                   
REMARK 500 50 TYR A 175      -12.96     74.28                                   
REMARK 500 50 PHE A 176       45.84    -93.96                                   
REMARK 500 50 PRO A 178       64.41    -65.69                                   
REMARK 500 51 LEU A 156       92.74     57.01                                   
REMARK 500 51 GLN A 157       45.78   -169.82                                   
REMARK 500 51 SER A 158      -62.54   -168.31                                   
REMARK 500 51 VAL A 160      -55.16     44.44                                   
REMARK 500 51 PHE A 162       17.70   -164.57                                   
REMARK 500 51 LEU A 165      -42.36   -175.42                                   
REMARK 500 51 PRO A 168       81.13    -61.36                                   
REMARK 500 51 TYR A 175      -54.40     56.07                                   
REMARK 500 51 LEU A 179      -72.41    -85.59                                   
REMARK 500 52 LEU A 156      -80.24    -73.31                                   
REMARK 500 52 GLN A 157      -59.66     71.57                                   
REMARK 500 52 SER A 158       44.25   -162.80                                   
REMARK 500 52 ASP A 159       -5.98     82.62                                   
REMARK 500 52 VAL A 160      -47.27     88.46                                   
REMARK 500 52 ALA A 173      -70.27    -71.63                                   
REMARK 500 52 TYR A 175      -48.02     69.47                                   
REMARK 500 52 PRO A 178       64.35    -64.67                                   
REMARK 500 52 LEU A 179      -64.97    -97.71                                   
REMARK 500 53 GLN A 157      -71.62    -71.12                                   
REMARK 500 53 SER A 158       33.43   -163.76                                   
REMARK 500 53 ASP A 159      -54.61   -162.15                                   
REMARK 500 53 VAL A 160      -45.59     77.29                                   
REMARK 500 53 PHE A 162        9.03   -162.84                                   
REMARK 500 53 LEU A 166       48.08   -161.34                                   
REMARK 500 53 ILE A 169     -109.72    -73.31                                   
REMARK 500 53 ILE A 170      -62.82     26.77                                   
REMARK 500 53 ALA A 173      -73.07    -78.30                                   
REMARK 500 53 TYR A 175      -39.37     74.49                                   
REMARK 500 54 GLN A 157      -31.67   -170.77                                   
REMARK 500 54 ASP A 159      -60.37     75.53                                   
REMARK 500 54 VAL A 160      -48.70     73.08                                   
REMARK 500 54 PHE A 162        8.01   -159.83                                   
REMARK 500 54 LEU A 166       55.79   -164.57                                   
REMARK 500 54 TYR A 175      -30.08     77.64                                   
REMARK 500 55 LEU A 156      101.83     60.39                                   
REMARK 500 55 GLN A 157       89.67   -169.79                                   
REMARK 500 55 SER A 158       61.62     66.93                                   
REMARK 500 55 ASP A 159      -57.17     70.81                                   
REMARK 500 55 VAL A 160      -65.30     83.53                                   
REMARK 500 55 PHE A 161       48.24    -75.67                                   
REMARK 500 55 PHE A 162      -30.54   -169.53                                   
REMARK 500 55 PHE A 164      -34.36     58.59                                   
REMARK 500 55 LEU A 166       78.49   -163.15                                   
REMARK 500 55 PRO A 168       44.82    -74.02                                   
REMARK 500 55 ALA A 173      -73.70    -72.96                                   
REMARK 500 55 TYR A 175      -45.51     76.37                                   
REMARK 500 55 PRO A 178     -152.45    -54.87                                   
REMARK 500 55 LEU A 179       71.85     74.12                                   
REMARK 500 56 GLN A 157       79.40   -170.36                                   
REMARK 500 56 ASP A 159      -57.27     70.67                                   
REMARK 500 56 VAL A 160      -59.88     85.05                                   
REMARK 500 56 PHE A 161       41.35    -74.45                                   
REMARK 500 56 PHE A 162      -21.51   -173.43                                   
REMARK 500 56 PHE A 164      -29.72     59.66                                   
REMARK 500 56 LEU A 165      -32.29   -178.10                                   
REMARK 500 56 PRO A 168       62.88    -68.79                                   
REMARK 500 56 TYR A 175      -50.74     68.30                                   
REMARK 500 56 PRO A 178     -174.15    -50.39                                   
REMARK 500 56 LEU A 179       73.91     80.02                                   
REMARK 500 57 GLN A 157       91.19   -169.73                                   
REMARK 500 57 ASP A 159      -51.68     78.43                                   
REMARK 500 57 VAL A 160      -60.38     69.88                                   
REMARK 500 57 PHE A 162       14.06   -165.05                                   
REMARK 500 57 PHE A 164       29.20     47.71                                   
REMARK 500 57 LEU A 165      -30.39     89.82                                   
REMARK 500 57 LEU A 166       83.34   -162.86                                   
REMARK 500 57 PRO A 168     -158.38    -74.38                                   
REMARK 500 57 ILE A 169      -41.50     80.66                                   
REMARK 500 57 ALA A 173      -77.51    -73.06                                   
REMARK 500 57 TYR A 175      -61.52     71.55                                   
REMARK 500 57 PRO A 178       68.83    -65.23                                   
REMARK 500 58 LEU A 156      179.13     60.69                                   
REMARK 500 58 GLN A 157       48.68     84.87                                   
REMARK 500 58 SER A 158       35.83   -164.11                                   
REMARK 500 58 ASP A 159      -41.73     79.02                                   
REMARK 500 58 VAL A 160      -42.07     88.73                                   
REMARK 500 58 LEU A 166       63.37   -162.08                                   
REMARK 500 58 ILE A 169      -42.39   -162.01                                   
REMARK 500 58 TYR A 175      -12.93     77.33                                   
REMARK 500 58 PRO A 178       76.95    -56.18                                   
REMARK 500 59 LEU A 156     -168.47   -165.21                                   
REMARK 500 59 GLN A 157       82.08     79.24                                   
REMARK 500 59 ASP A 159      -52.52     74.13                                   
REMARK 500 59 VAL A 160      -40.62     94.23                                   
REMARK 500 59 LEU A 166       71.32   -162.17                                   
REMARK 500 59 ILE A 169      -45.19     81.02                                   
REMARK 500 59 ASP A 172       15.27   -147.05                                   
REMARK 500 59 TYR A 175      -12.59     71.62                                   
REMARK 500 59 PRO A 178     -157.82    -57.41                                   
REMARK 500 59 LEU A 179       -9.80     81.93                                   
REMARK 500 60 LEU A 156       23.64   -161.14                                   
REMARK 500 60 ASP A 159       -6.64     79.87                                   
REMARK 500 60 VAL A 160      -54.69     82.99                                   
REMARK 500 60 PHE A 161       34.11    -78.24                                   
REMARK 500 60 PHE A 162      -18.15   -166.79                                   
REMARK 500 60 PHE A 164      -25.29     64.57                                   
REMARK 500 60 LEU A 166      102.85   -162.81                                   
REMARK 500 60 PRO A 168       72.19    -64.79                                   
REMARK 500 60 TYR A 175      -53.58     55.76                                   
REMARK 500 60 PRO A 178       82.42    -46.15                                   
REMARK 500 60 LEU A 179      -61.76    -94.34                                   
REMARK 500 61 GLN A 157       65.42     78.33                                   
REMARK 500 61 ASP A 159      -58.99     73.70                                   
REMARK 500 61 VAL A 160      -48.33     84.32                                   
REMARK 500 61 PHE A 161       23.91    -76.47                                   
REMARK 500 61 PHE A 162      -10.23   -168.63                                   
REMARK 500 61 PHE A 164       -0.61     58.11                                   
REMARK 500 61 TYR A 175      -53.56     72.64                                   
REMARK 500 62 GLN A 157       78.51   -170.51                                   
REMARK 500 62 ASP A 159      -59.47     72.85                                   
REMARK 500 62 VAL A 160      -46.21     90.47                                   
REMARK 500 62 LEU A 165      -25.52     89.60                                   
REMARK 500 62 ILE A 169      -90.46    -72.37                                   
REMARK 500 62 ILE A 170      -63.26     25.62                                   
REMARK 500 62 ALA A 173      -90.34    -76.16                                   
REMARK 500 62 TYR A 175      -61.26     68.30                                   
REMARK 500 62 LEU A 179       63.81     69.54                                   
REMARK 500 63 LEU A 156     -177.85     55.06                                   
REMARK 500 63 GLN A 157      -58.90   -169.59                                   
REMARK 500 63 SER A 158       29.89   -163.88                                   
REMARK 500 63 ASP A 159      -54.57   -165.80                                   
REMARK 500 63 VAL A 160      -53.43     67.46                                   
REMARK 500 63 PHE A 162        9.56   -167.14                                   
REMARK 500 63 PHE A 164        6.93     57.64                                   
REMARK 500 63 ILE A 169     -111.90    -75.44                                   
REMARK 500 63 ILE A 170      -60.68     33.78                                   
REMARK 500 63 TYR A 175      -10.98     76.79                                   
REMARK 500 63 PRO A 178     -168.85    -53.87                                   
REMARK 500 63 LEU A 179       -9.70     81.65                                   
REMARK 500 64 GLN A 157      -84.89   -169.15                                   
REMARK 500 64 ASP A 159      -45.05     79.91                                   
REMARK 500 64 VAL A 160      -48.72     82.42                                   
REMARK 500 64 PHE A 161       26.20    -76.95                                   
REMARK 500 64 PHE A 162       -1.40   -162.95                                   
REMARK 500 64 LEU A 166      107.12   -162.88                                   
REMARK 500 64 PRO A 168       37.08    -83.49                                   
REMARK 500 64 TYR A 175      -18.31     70.51                                   
REMARK 500 64 PRO A 178      -77.67    -58.49                                   
REMARK 500 65 LEU A 156     -162.89    -75.37                                   
REMARK 500 65 GLN A 157       77.95     83.38                                   
REMARK 500 65 ASP A 159      -45.05     75.75                                   
REMARK 500 65 VAL A 160      -47.44     88.22                                   
REMARK 500 65 LEU A 166      119.48   -160.05                                   
REMARK 500 65 ALA A 173      -73.51    -74.10                                   
REMARK 500 65 TYR A 175      -53.74     57.68                                   
REMARK 500 65 PRO A 178       63.34    -64.38                                   
REMARK 500 66 LEU A 156      140.40     60.56                                   
REMARK 500 66 GLN A 157       72.25   -170.26                                   
REMARK 500 66 SER A 158      -49.72     80.49                                   
REMARK 500 66 VAL A 160      -58.50     73.51                                   
REMARK 500 66 PHE A 162      -59.32   -168.33                                   
REMARK 500 66 LEU A 165      -50.17     82.23                                   
REMARK 500 66 PRO A 168       59.50    -69.34                                   
REMARK 500 66 TYR A 175      -14.96     70.63                                   
REMARK 500 67 LEU A 156       24.52   -164.80                                   
REMARK 500 67 SER A 158       39.65    -81.81                                   
REMARK 500 67 ASP A 159      -18.17     76.13                                   
REMARK 500 67 VAL A 160      -55.41     87.45                                   
REMARK 500 67 PHE A 164      -80.40    -72.36                                   
REMARK 500 67 ILE A 169     -107.35    -72.56                                   
REMARK 500 67 ILE A 170      -62.20     33.24                                   
REMARK 500 67 TYR A 175      -44.83     70.89                                   
REMARK 500 68 LEU A 156      -80.29     62.48                                   
REMARK 500 68 GLN A 157       84.55   -170.23                                   
REMARK 500 68 SER A 158       70.71     55.63                                   
REMARK 500 68 ASP A 159      -59.39     75.50                                   
REMARK 500 68 VAL A 160      -47.45     90.95                                   
REMARK 500 68 TYR A 175      -50.54     67.69                                   
REMARK 500 69 LEU A 156      -35.42   -164.40                                   
REMARK 500 69 ASP A 159      -57.24   -163.01                                   
REMARK 500 69 VAL A 160      -58.53     71.95                                   
REMARK 500 69 PHE A 162      -69.17   -167.26                                   
REMARK 500 69 LEU A 165      -74.10    -64.59                                   
REMARK 500 69 LEU A 166       66.62   -105.09                                   
REMARK 500 69 TYR A 175      -11.86     76.53                                   
REMARK 500 69 PRO A 178       79.00    -60.60                                   
REMARK 500 70 LEU A 156      111.94   -164.33                                   
REMARK 500 70 GLN A 157       22.83    -79.05                                   
REMARK 500 70 SER A 158       46.13     78.73                                   
REMARK 500 70 ASP A 159      -63.11   -158.82                                   
REMARK 500 70 VAL A 160      -51.04     54.66                                   
REMARK 500 70 PHE A 162       14.24   -168.05                                   
REMARK 500 70 LEU A 165      -24.43     87.34                                   
REMARK 500 70 TYR A 175      -41.29     75.37                                   
REMARK 500 70 PRO A 178       69.11    -59.34                                   
REMARK 500 71 GLN A 157       95.00   -171.74                                   
REMARK 500 71 SER A 158       79.05     62.75                                   
REMARK 500 71 ASP A 159      -56.41     60.36                                   
REMARK 500 71 VAL A 160      -62.96     74.57                                   
REMARK 500 71 PHE A 162      -43.94   -168.12                                   
REMARK 500 71 LEU A 165      -61.08   -175.52                                   
REMARK 500 71 TYR A 175      -56.46     70.01                                   
REMARK 500 71 PRO A 178       88.41    -50.37                                   
REMARK 500 71 LEU A 179      -78.83   -107.13                                   
REMARK 500 72 ASP A 159      -35.75   -169.01                                   
REMARK 500 72 VAL A 160      -42.27     90.88                                   
REMARK 500 72 LEU A 165      -39.18     91.60                                   
REMARK 500 72 TYR A 175      -61.69     68.82                                   
REMARK 500 72 PRO A 178      -86.14    -72.73                                   
REMARK 500 73 LEU A 156       81.81   -162.11                                   
REMARK 500 73 GLN A 157       11.94   -165.15                                   
REMARK 500 73 ASP A 159      -37.79   -167.75                                   
REMARK 500 73 VAL A 160      -52.82     65.33                                   
REMARK 500 73 PHE A 162       14.47   -161.35                                   
REMARK 500 73 PRO A 168       38.52    -80.06                                   
REMARK 500 73 TYR A 175      -14.66     78.07                                   
REMARK 500 73 PHE A 176       43.91    -96.02                                   
REMARK 500 74 LEU A 156      -39.37   -166.14                                   
REMARK 500 74 ASP A 159      -19.21     80.72                                   
REMARK 500 74 VAL A 160      -50.61     85.50                                   
REMARK 500 74 TYR A 175      -30.34     76.72                                   
REMARK 500 74 PRO A 178       87.37    -48.40                                   
REMARK 500 74 LEU A 179      -57.96   -138.58                                   
REMARK 500 75 LEU A 156       73.19     63.65                                   
REMARK 500 75 GLN A 157       36.45   -170.08                                   
REMARK 500 75 SER A 158       90.49   -164.64                                   
REMARK 500 75 ASP A 159      -57.71     71.84                                   
REMARK 500 75 VAL A 160      -50.34     91.07                                   
REMARK 500 75 TYR A 175      -51.80     69.17                                   
REMARK 500 76 LEU A 156     -162.47   -167.40                                   
REMARK 500 76 GLN A 157       84.44     91.83                                   
REMARK 500 76 SER A 158      -63.76     77.87                                   
REMARK 500 76 ASP A 159      -21.70   -164.18                                   
REMARK 500 76 VAL A 160      -54.43     63.78                                   
REMARK 500 76 PHE A 162       12.10   -165.80                                   
REMARK 500 76 LEU A 165      -29.58     85.69                                   
REMARK 500 76 ILE A 169      -35.21     83.08                                   
REMARK 500 76 TYR A 175      -56.12     72.63                                   
REMARK 500 76 PRO A 178     -156.60    -57.92                                   
REMARK 500 76 LEU A 179       69.92     74.89                                   
REMARK 500 77 SER A 158      -61.65     78.45                                   
REMARK 500 77 VAL A 160      -48.71     83.55                                   
REMARK 500 77 LEU A 166       61.04   -156.85                                   
REMARK 500 77 TYR A 175      -11.08     75.14                                   
REMARK 500 77 PRO A 178       91.67    -65.05                                   
REMARK 500 77 LEU A 179      -70.96    -81.02                                   
REMARK 500 78 GLN A 157      -92.28   -170.23                                   
REMARK 500 78 SER A 158       18.75   -161.97                                   
REMARK 500 78 ASP A 159      -44.70   -168.90                                   
REMARK 500 78 VAL A 160      -50.67     87.09                                   
REMARK 500 78 ASP A 172       17.28   -145.88                                   
REMARK 500 78 TYR A 175      -61.42     54.97                                   
REMARK 500 78 PRO A 178     -157.23    -57.53                                   
REMARK 500 78 LEU A 179       68.34     71.13                                   
REMARK 500 79 LEU A 156       75.94   -161.18                                   
REMARK 500 79 GLN A 157      -37.73   -170.55                                   
REMARK 500 79 ASP A 159      -60.23     75.88                                   
REMARK 500 79 VAL A 160      -40.83     89.04                                   
REMARK 500 79 PRO A 168      -94.94    -67.65                                   
REMARK 500 79 ILE A 169      -35.74     80.23                                   
REMARK 500 79 TYR A 175      -13.38     75.47                                   
REMARK 500 79 PRO A 178       93.01    -47.39                                   
REMARK 500 80 GLN A 157      -38.98   -169.25                                   
REMARK 500 80 SER A 158       37.71   -164.46                                   
REMARK 500 80 ASP A 159      -57.15   -163.76                                   
REMARK 500 80 VAL A 160      -52.66     52.14                                   
REMARK 500 80 PHE A 162       14.79   -164.84                                   
REMARK 500 80 LEU A 166       92.36   -160.80                                   
REMARK 500 80 PRO A 168      -93.43    -86.73                                   
REMARK 500 80 ILE A 169      -39.79     88.12                                   
REMARK 500 80 TYR A 175      -12.66     78.75                                   
REMARK 500 80 PHE A 176       37.34    -95.92                                   
REMARK 500 81 GLN A 157       34.55   -168.21                                   
REMARK 500 81 SER A 158       88.06   -164.48                                   
REMARK 500 81 ASP A 159      -60.67     74.38                                   
REMARK 500 81 VAL A 160      -54.40     68.61                                   
REMARK 500 81 PHE A 162        1.52   -160.72                                   
REMARK 500 81 LEU A 166       67.97   -160.27                                   
REMARK 500 81 ILE A 169      -76.71    -78.01                                   
REMARK 500 81 TYR A 175      -24.62     77.80                                   
REMARK 500 81 PHE A 176       50.16    -92.76                                   
REMARK 500 82 GLN A 157       52.28   -170.04                                   
REMARK 500 82 ASP A 159      -38.75   -161.36                                   
REMARK 500 82 VAL A 160      -42.50     85.27                                   
REMARK 500 82 LEU A 165      -44.49   -174.80                                   
REMARK 500 82 PRO A 168       83.67    -66.79                                   
REMARK 500 82 TYR A 175      -69.22     68.50                                   
REMARK 500 82 PHE A 176        0.28   -151.69                                   
REMARK 500 82 LEU A 177      -68.31   -150.97                                   
REMARK 500 82 PRO A 178      173.76    -34.67                                   
REMARK 500 82 LEU A 179      -24.27     86.94                                   
REMARK 500 83 GLN A 157       26.61   -170.33                                   
REMARK 500 83 SER A 158       33.61   -167.65                                   
REMARK 500 83 ASP A 159       -6.59     77.06                                   
REMARK 500 83 VAL A 160      -44.85     89.31                                   
REMARK 500 83 PHE A 164      -72.41    -75.46                                   
REMARK 500 83 LEU A 166       97.14   -162.28                                   
REMARK 500 83 ILE A 169     -107.22    -70.60                                   
REMARK 500 83 ILE A 170      -61.80     21.03                                   
REMARK 500 83 TYR A 175      -40.76     77.30                                   
REMARK 500 83 PRO A 178       93.11    -48.22                                   
REMARK 500 83 LEU A 179      -71.14    -99.10                                   
REMARK 500 84 SER A 158       51.17   -164.90                                   
REMARK 500 84 ASP A 159      -23.91     86.91                                   
REMARK 500 84 VAL A 160      -55.16     68.85                                   
REMARK 500 84 PHE A 162       16.38   -166.39                                   
REMARK 500 84 LEU A 165      -19.78   -170.60                                   
REMARK 500 84 ILE A 169      -42.49   -167.44                                   
REMARK 500 84 TYR A 175      -38.86     75.13                                   
REMARK 500 85 LEU A 156       96.28   -162.92                                   
REMARK 500 85 GLN A 157       25.39    -79.79                                   
REMARK 500 85 SER A 158       47.23     72.97                                   
REMARK 500 85 ASP A 159      -61.74   -162.18                                   
REMARK 500 85 VAL A 160      -38.61     86.10                                   
REMARK 500 85 ILE A 169     -107.63    -72.11                                   
REMARK 500 85 ILE A 170      -63.13     21.98                                   
REMARK 500 85 TYR A 175      -11.82     76.66                                   
REMARK 500 85 PRO A 178      -85.58    -74.00                                   
REMARK 500 86 LEU A 156       70.28     56.56                                   
REMARK 500 86 GLN A 157       20.54    -78.39                                   
REMARK 500 86 SER A 158       45.93     75.57                                   
REMARK 500 86 ASP A 159      -61.34   -158.73                                   
REMARK 500 86 VAL A 160      -41.59     88.37                                   
REMARK 500 86 LEU A 165      -20.26     84.20                                   
REMARK 500 86 ILE A 169      -62.21     32.00                                   
REMARK 500 86 ALA A 173      -73.71    -73.71                                   
REMARK 500 86 TYR A 175      -44.86     73.03                                   
REMARK 500 87 LEU A 156       60.30   -165.72                                   
REMARK 500 87 GLN A 157      -41.99   -169.52                                   
REMARK 500 87 ASP A 159      -48.60     70.97                                   
REMARK 500 87 VAL A 160      -53.38     85.75                                   
REMARK 500 87 TYR A 175      -31.68     76.35                                   
REMARK 500 87 LEU A 179      -33.57    167.80                                   
REMARK 500 88 LEU A 156      -42.11   -165.62                                   
REMARK 500 88 GLN A 157       67.15     74.38                                   
REMARK 500 88 SER A 158      -61.22     72.41                                   
REMARK 500 88 ASP A 159       12.87   -159.44                                   
REMARK 500 88 VAL A 160      -46.10     83.49                                   
REMARK 500 88 LEU A 166       78.10   -160.29                                   
REMARK 500 88 PRO A 168       49.85    -88.30                                   
REMARK 500 88 TYR A 175      -12.39     72.33                                   
REMARK 500 88 PRO A 178      -71.64    -50.46                                   
REMARK 500 89 LEU A 156       79.36   -161.97                                   
REMARK 500 89 GLN A 157      -40.50   -169.82                                   
REMARK 500 89 ASP A 159      -58.88     72.41                                   
REMARK 500 89 VAL A 160      -65.23     74.25                                   
REMARK 500 89 PHE A 161       35.33    -79.89                                   
REMARK 500 89 PHE A 162      -26.65   -170.06                                   
REMARK 500 89 LEU A 165      -29.69     88.08                                   
REMARK 500 89 ALA A 173      -75.34    -71.16                                   
REMARK 500 89 TYR A 175      -59.59     69.76                                   
REMARK 500 89 PRO A 178     -149.61    -62.11                                   
REMARK 500 89 LEU A 179       74.10     81.02                                   
REMARK 500 90 LEU A 156      142.74     45.15                                   
REMARK 500 90 GLN A 157      -80.14   -171.13                                   
REMARK 500 90 SER A 158      -40.85   -170.10                                   
REMARK 500 90 VAL A 160      -52.39     80.00                                   
REMARK 500 90 TYR A 175      -52.67     68.55                                   
REMARK 500 91 LEU A 156       42.08   -167.48                                   
REMARK 500 91 GLN A 157       52.00   -168.61                                   
REMARK 500 91 SER A 158       64.38   -164.72                                   
REMARK 500 91 ASP A 159      -59.51     76.69                                   
REMARK 500 91 VAL A 160      -59.23     70.62                                   
REMARK 500 91 PHE A 161       20.56    -74.85                                   
REMARK 500 91 PHE A 162      -17.14   -166.87                                   
REMARK 500 91 LEU A 165      -22.85     85.38                                   
REMARK 500 91 LEU A 166      115.01   -161.59                                   
REMARK 500 91 ASP A 172       15.96   -148.14                                   
REMARK 500 91 TYR A 175      -52.72     56.61                                   
REMARK 500 92 GLN A 157       18.65     59.19                                   
REMARK 500 92 SER A 158      -10.86     74.91                                   
REMARK 500 92 VAL A 160      -44.87     58.39                                   
REMARK 500 92 PHE A 162       20.65   -161.85                                   
REMARK 500 92 LEU A 165      -72.76    -63.40                                   
REMARK 500 92 TYR A 175      -43.51     71.03                                   
REMARK 500 93 LEU A 156      -43.97     75.93                                   
REMARK 500 93 SER A 158       28.40    -79.70                                   
REMARK 500 93 ASP A 159      -25.44     79.59                                   
REMARK 500 93 VAL A 160      -54.46     81.62                                   
REMARK 500 93 LEU A 165      -70.99    -67.38                                   
REMARK 500 93 LEU A 166       95.39   -160.48                                   
REMARK 500 93 TYR A 175      -11.64     72.91                                   
REMARK 500 94 ASP A 159      -57.29   -162.28                                   
REMARK 500 94 VAL A 160      -58.48     67.46                                   
REMARK 500 94 PHE A 161       49.12    -73.60                                   
REMARK 500 94 PHE A 162      -30.53   -166.42                                   
REMARK 500 94 LEU A 165      -30.08     86.47                                   
REMARK 500 94 PRO A 167      108.64    -51.98                                   
REMARK 500 94 TYR A 175      -50.07     57.25                                   
REMARK 500 94 PRO A 178       78.73    -61.22                                   
REMARK 500 94 LEU A 179      -63.85    -92.94                                   
REMARK 500 95 LEU A 156      108.79     65.38                                   
REMARK 500 95 GLN A 157      -73.69   -168.62                                   
REMARK 500 95 SER A 158      -35.17   -171.06                                   
REMARK 500 95 VAL A 160      -51.93     63.40                                   
REMARK 500 95 PHE A 162       14.02   -160.58                                   
REMARK 500 95 PHE A 164      -84.03    -78.45                                   
REMARK 500 95 ILE A 169      -38.53     80.33                                   
REMARK 500 95 TYR A 175      -15.78     74.51                                   
REMARK 500 95 PRO A 178       71.67    -63.14                                   
REMARK 500 96 GLN A 157      -85.23   -169.18                                   
REMARK 500 96 ASP A 159      -34.88     75.87                                   
REMARK 500 96 VAL A 160      -57.02     80.45                                   
REMARK 500 96 PHE A 161       36.84    -73.71                                   
REMARK 500 96 PHE A 162      -25.71   -165.88                                   
REMARK 500 96 LEU A 166       66.57   -160.61                                   
REMARK 500 96 ALA A 173      -71.00    -70.11                                   
REMARK 500 96 TYR A 175      -55.66     70.59                                   
REMARK 500 96 LEU A 179      -10.83     81.49                                   
REMARK 500 97 LEU A 156      132.44     62.59                                   
REMARK 500 97 GLN A 157      -41.38   -172.06                                   
REMARK 500 97 ASP A 159      -29.03     75.37                                   
REMARK 500 97 VAL A 160      -41.34     92.29                                   
REMARK 500 97 LEU A 166       86.13   -160.61                                   
REMARK 500 97 PRO A 168     -146.88    -76.12                                   
REMARK 500 97 ILE A 169      -39.12     86.79                                   
REMARK 500 97 ALA A 173      -75.35    -72.22                                   
REMARK 500 97 TYR A 175      -57.21     68.99                                   
REMARK 500 97 LEU A 179      -72.91    -82.72                                   
REMARK 500 98 LEU A 156       80.66   -170.38                                   
REMARK 500 98 GLN A 157       71.42   -169.27                                   
REMARK 500 98 SER A 158       47.66   -166.14                                   
REMARK 500 98 ASP A 159      -57.66     76.67                                   
REMARK 500 98 VAL A 160      -47.97     71.29                                   
REMARK 500 98 PHE A 162       13.62   -166.53                                   
REMARK 500 98 LEU A 166       51.70   -159.34                                   
REMARK 500 98 PRO A 168      -97.41    -88.04                                   
REMARK 500 98 ILE A 169      -55.39     80.65                                   
REMARK 500 98 TYR A 175      -12.27     69.70                                   
REMARK 500 98 PRO A 178       73.49    -57.06                                   
REMARK 500 99 LEU A 156      156.51     64.47                                   
REMARK 500 99 GLN A 157      -64.89   -169.95                                   
REMARK 500 99 SER A 158       23.31    -79.96                                   
REMARK 500 99 ASP A 159       -1.58     76.62                                   
REMARK 500 99 VAL A 160      -53.91     82.01                                   
REMARK 500 99 PHE A 161       33.49    -77.25                                   
REMARK 500 99 PHE A 162      -17.02   -168.54                                   
REMARK 500 99 LEU A 165      -26.05     84.60                                   
REMARK 500 99 ALA A 173      -70.45    -73.20                                   
REMARK 500 99 TYR A 175      -37.16     77.52                                   
REMARK 500 100 GLN A 157       27.50     48.53                                  
REMARK 500 100 ASP A 159      -64.16   -164.74                                  
REMARK 500 100 VAL A 160      -36.12     71.80                                  
REMARK 500 100 PHE A 162        1.15   -162.99                                  
REMARK 500 100 LEU A 166       76.94   -159.73                                  
REMARK 500 100 ALA A 173      -70.19    -73.97                                  
REMARK 500 100 TYR A 175      -12.44     75.60                                  
REMARK 500 100 PHE A 176       45.79    -94.30                                  
REMARK 500 100 PRO A 178       56.58    -67.29                                  
REMARK 500 100 LEU A 179      -66.33   -101.28                                  
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1Y4E A  155   180  UNP    P19634   SL9A1_HUMAN    155    180             
SEQADV 1Y4E HSL A  181  UNP  P19634              INSERTION                      
SEQRES   1 A   27  PHE LEU GLN SER ASP VAL PHE PHE LEU PHE LEU LEU PRO          
SEQRES   2 A   27  PRO ILE ILE LEU ASP ALA GLY TYR PHE LEU PRO LEU ARG          
SEQRES   3 A   27  HSL                                                          
MODRES 1Y4E HSL A  181  SER  HOMOSERINE LACTONE                                 
HET    HSL  A 181      13                                                       
HETNAM     HSL HOMOSERINE LACTONE                                               
FORMUL   1  HSL    C4 H7 N O2                                                   
HELIX    1   1 PHE A  161  LEU A  166  1                                   6    
HELIX    2   2 ILE A  170  TYR A  175  1                                   6    
HELIX    3   3 PHE A  176  HSL A  181  5                                   6    
LINK         C   ARG A 180                 N   HSL A 181     1555   1555  1.38  
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system