HEADER    MEMBRANE PROTEIN                        22-MAY-06   2H3O              
TITLE     STRUCTURE OF MERFT, A MEMBRANE PROTEIN WITH TWO TRANS-MEMBRANE HELICES
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MERF;                                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HELIX-LOOP-HELIX, RESIDUES 12-72;                          
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MORGANELLA MORGANII;                            
SOURCE   3 ORGANISM_TAXID: 582;                                                 
SOURCE   4 GENE: MERF;                                                          
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: C43(DE3);                                  
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET31B-MERFT                              
KEYWDS    MEMBRANE PROTEIN, ALPHA-HELIX, BICELLE                                
EXPDTA    SOLID-STATE NMR                                                       
AUTHOR    S.J.OPELLA,A.A.DE ANGELIS,S.C.HOWELL,A.A.NEVZOROV                     
REVDAT   3   20-OCT-21 2H3O    1       REMARK SEQADV                            
REVDAT   2   24-FEB-09 2H3O    1       VERSN                                    
REVDAT   1   03-OCT-06 2H3O    0                                                
JRNL        AUTH   A.A.DE ANGELIS,S.C.HOWELL,A.A.NEVZOROV,S.J.OPELLA            
JRNL        TITL   STRUCTURE DETERMINATION OF A MEMBRANE PROTEIN WITH TWO       
JRNL        TITL 2 TRANS-MEMBRANE HELICES IN ALIGNED PHOSPHOLIPID BICELLES BY   
JRNL        TITL 3 SOLID-STATE NMR SPECTROSCOPY.                                
JRNL        REF    J.AM.CHEM.SOC.                V. 128 12256 2006              
JRNL        REFN                   ISSN 0002-7863                               
JRNL        PMID   16967977                                                     
JRNL        DOI    10.1021/JA063640W                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NMRPIPE 2.3, STRUCTURAL FITTING 2.0                  
REMARK   3   AUTHORS     : DELAGLIO, F ET AL. (NMRPIPE), NEVZOROV, A.A AND      
REMARK   3                 OPELLA, S.J. (STRUCTURAL FITTING)                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THIS STRUCTURE WAS CALCULATED BY USING    
REMARK   3  A STRUCTURAL FITTING ALGORITHM THAT FINDS TORSION ANGLES BETWEEN    
REMARK   3  CONSECUTIVE RESIDUES BASED ON THEIR 15N CHEMICAL SHIFT, 1H-15N      
REMARK   3  DIPOLAR COUPLING FREQUENCIES AND RAMACHANDRAN MAPS. ONE             
REMARK   3  HYDROPHOBIC MATCHING AND ONE LOOSE HELIX-HELIX DISTANCE             
REMARK   3  RESTRAINTS WERE USED                                                
REMARK   4                                                                      
REMARK   4 2H3O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-JUN-06.                  
REMARK 100 THE DEPOSITION ID IS D_1000037889.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313                                
REMARK 210  PH                             : 5                                  
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 6 MM MERFT ALIGNED IN LARGE 14-O   
REMARK 210                                   -PC/6-O-PC PHOSPHOLIPID BICELLES,  
REMARK 210                                   28% (W/V) IN H2O                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : PISEMA; SAMMY                      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : SPARKY 3.11                        
REMARK 210   METHOD USED                   : DIRECT STRUCTURAL FITTING OF 2D    
REMARK 210                                   SOLID-STATE NMR DATA               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: 15N CHEMICAL SHIFTS AND 1H-15N DIPOLAR COUPLINGS WERE        
REMARK 210  MEASURED BY SOLID-STATE NMR                                         
REMARK 217                                                                      
REMARK 217 SOLID STATE NMR STUDY                                                
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID              
REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT           
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 217 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     LEU A    12                                                      
REMARK 465     ILE A    13                                                      
REMARK 465     GLY A    14                                                      
REMARK 465     THR A    15                                                      
REMARK 465     THR A    16                                                      
REMARK 465     LEU A    17                                                      
REMARK 465     VAL A    18                                                      
REMARK 465     ALA A    19                                                      
REMARK 465     LEU A    20                                                      
REMARK 465     SER A    21                                                      
REMARK 465     SER A    22                                                      
REMARK 465     PHE A    23                                                      
REMARK 465     THR A    24                                                      
REMARK 465     PRO A    25                                                      
REMARK 465     SER A    71                                                      
REMARK 465     HSE A    72                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;         
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 470     RES CSSEQI  ATOMS                                                
REMARK 470     VAL A  26    N    CA   CB   CG1  CG2                             
REMARK 470     LEU A  27    CB   CG   CD1  CD2                                  
REMARK 470     VAL A  28    CB   CG1  CG2                                       
REMARK 470     ILE A  29    CB   CG1  CG2  CD1                                  
REMARK 470     LEU A  30    CB   CG   CD1  CD2                                  
REMARK 470     LEU A  31    CB   CG   CD1  CD2                                  
REMARK 470     VAL A  33    CB   CG1  CG2                                       
REMARK 470     VAL A  34    CB   CG1  CG2                                       
REMARK 470     LEU A  36    CB   CG   CD1  CD2                                  
REMARK 470     SER A  37    CB   OG                                             
REMARK 470     ALA A  38    CB                                                  
REMARK 470     LEU A  39    CB   CG   CD1  CD2                                  
REMARK 470     THR A  40    CB   OG1  CG2                                       
REMARK 470     TYR A  42    CB   CG   CD1  CD2  CE1  CE2  CZ                    
REMARK 470     TYR A  42    OH                                                  
REMARK 470     LEU A  43    CB   CG   CD1  CD2                                  
REMARK 470     ASP A  44    CB   CG   OD1  OD2                                  
REMARK 470     TYR A  45    CB   CG   CD1  CD2  CE1  CE2  CZ                    
REMARK 470     TYR A  45    OH                                                  
REMARK 470     VAL A  46    CB   CG1  CG2                                       
REMARK 470     LEU A  47    CB   CG   CD1  CD2                                  
REMARK 470     LEU A  48    CB   CG   CD1  CD2                                  
REMARK 470     PRO A  49    CB   CG   CD                                        
REMARK 470     ALA A  50    CB                                                  
REMARK 470     LEU A  51    CB   CG   CD1  CD2                                  
REMARK 470     ALA A  52    CB                                                  
REMARK 470     ILE A  53    CB   CG1  CG2  CD1                                  
REMARK 470     PHE A  54    CB   CG   CD1  CD2  CE1  CE2  CZ                    
REMARK 470     ILE A  55    CB   CG1  CG2  CD1                                  
REMARK 470     LEU A  57    CB   CG   CD1  CD2                                  
REMARK 470     THR A  58    CB   OG1  CG2                                       
REMARK 470     ILE A  59    CB   CG1  CG2  CD1                                  
REMARK 470     TYR A  60    CB   CG   CD1  CD2  CE1  CE2  CZ                    
REMARK 470     TYR A  60    OH                                                  
REMARK 470     ALA A  61    CB                                                  
REMARK 470     ILE A  62    CB   CG1  CG2  CD1                                  
REMARK 470     GLN A  63    CB   CG   CD   OE1  NE2                             
REMARK 470     ARG A  64    CB   CG   CD   NE   CZ   NH1  NH2                   
REMARK 470     LYS A  65    CB   CG   CD   CE   NZ                              
REMARK 470     ARG A  66    CB   CG   CD   NE   CZ   NH1  NH2                   
REMARK 470     GLN A  67    CB   CG   CD   OE1  NE2                             
REMARK 470     ALA A  68    CB                                                  
REMARK 470     ASP A  69    CB   CG   OD1  OD2                                  
REMARK 470     ALA A  70    C    O    CB                                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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   O    ILE A    29     H    VAL A    33              1.48            
REMARK 500   O    ALA A    38     H    TYR A    42              1.52            
REMARK 500   O    ALA A    38     N    TYR A    42              1.83            
REMARK 500   O    ARG A    66     O    ASP A    69              1.92            
REMARK 500   O    ALA A    38     CA   TYR A    42              1.98            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1WAZ   RELATED DB: PDB                                   
REMARK 900 SOLUTION STRUCTURE OF MERCURY TRANSPORT PROTEIN MERF, STRUCTURE IN   
REMARK 900 SDS MICELLES                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 RESIDUE AT POSITION 72 IS A C72S MUTATION. RESIDUE SER IS            
REMARK 999 FURTHER MODIFIED TO HOMOSERINE                                       
DBREF  2H3O A   12    72  UNP    Q56446   Q56446_MORMO    12     72             
SEQADV 2H3O LEU A   12  UNP  Q56446    ILE    12 ENGINEERED MUTATION            
SEQADV 2H3O SER A   21  UNP  Q56446    CYS    21 ENGINEERED MUTATION            
SEQADV 2H3O SER A   22  UNP  Q56446    CYS    22 ENGINEERED MUTATION            
SEQADV 2H3O SER A   71  UNP  Q56446    CYS    71 ENGINEERED MUTATION            
SEQADV 2H3O HSE A   72  UNP  Q56446    CYS    72 SEE REMARK 999                 
SEQRES   1 A   61  LEU ILE GLY THR THR LEU VAL ALA LEU SER SER PHE THR          
SEQRES   2 A   61  PRO VAL LEU VAL ILE LEU LEU GLY VAL VAL GLY LEU SER          
SEQRES   3 A   61  ALA LEU THR GLY TYR LEU ASP TYR VAL LEU LEU PRO ALA          
SEQRES   4 A   61  LEU ALA ILE PHE ILE GLY LEU THR ILE TYR ALA ILE GLN          
SEQRES   5 A   61  ARG LYS ARG GLN ALA ASP ALA SER HSE                          
HELIX    1   1 LEU A   27  LEU A   43  1                                  17    
HELIX    2   2 ALA A   50  ALA A   68  1                                  19    
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                         
ATOM      1  C   VAL A  26      -0.262  -0.955   1.153  1.00  0.00           C  
ATOM      2  O   VAL A  26      -0.518  -0.536   2.281  1.00  0.00           O  
ATOM      3  N   LEU A  27      -0.194  -2.249   0.854  1.00  0.00           N  
ATOM      4  CA  LEU A  27      -0.420  -3.293   1.850  1.00  0.00           C  
ATOM      5  C   LEU A  27       0.853  -3.564   2.635  1.00  0.00           C  
ATOM      6  O   LEU A  27       0.812  -3.889   3.821  1.00  0.00           O  
ATOM      7  H   LEU A  27       0.029  -2.542  -0.129  1.00  0.00           H  
ATOM      8  N   VAL A  28       1.988  -3.426   1.955  1.00  0.00           N  
ATOM      9  CA  VAL A  28       3.295  -3.651   2.566  1.00  0.00           C  
ATOM     10  C   VAL A  28       3.620  -2.541   3.552  1.00  0.00           C  
ATOM     11  O   VAL A  28       4.148  -2.787   4.635  1.00  0.00           O  
ATOM     12  H   VAL A  28       1.954  -3.146   0.944  1.00  0.00           H  
ATOM     13  N   ILE A  29       3.296  -1.311   3.161  1.00  0.00           N  
ATOM     14  CA  ILE A  29       3.543  -0.138   3.994  1.00  0.00           C  
ATOM     15  C   ILE A  29       2.817  -0.266   5.323  1.00  0.00           C  
ATOM     16  O   ILE A  29       3.433  -0.260   6.387  1.00  0.00           O  
ATOM     17  H   ILE A  29       2.847  -1.169   2.223  1.00  0.00           H  
ATOM     18  N   LEU A  30       1.494  -0.383   5.247  1.00  0.00           N  
ATOM     19  CA  LEU A  30       0.653  -0.515   6.433  1.00  0.00           C  
ATOM     20  C   LEU A  30       1.266  -1.501   7.413  1.00  0.00           C  
ATOM     21  O   LEU A  30       1.393  -1.219   8.604  1.00  0.00           O  
ATOM     22  H   LEU A  30       1.028  -0.381   4.306  1.00  0.00           H  
ATOM     23  N   LEU A  31       1.647  -2.665   6.895  1.00  0.00           N  
ATOM     24  CA  LEU A  31       2.253  -3.718   7.704  1.00  0.00           C  
ATOM     25  C   LEU A  31       3.601  -3.267   8.243  1.00  0.00           C  
ATOM     26  O   LEU A  31       3.946  -3.529   9.394  1.00  0.00           O  
ATOM     27  H   LEU A  31       1.511  -2.844   5.869  1.00  0.00           H  
ATOM     28  N   GLY A  32       4.359  -2.582   7.392  1.00  0.00           N  
ATOM     29  CA  GLY A  32       5.680  -2.078   7.756  1.00  0.00           C  
ATOM     30  C   GLY A  32       5.563  -0.998   8.819  1.00  0.00           C  
ATOM     31  O   GLY A  32       6.237  -1.042   9.848  1.00  0.00           O  
ATOM     32  H   GLY A  32       4.005  -2.391   6.422  1.00  0.00           H  
ATOM     33  N   VAL A  33       4.696  -0.024   8.557  1.00  0.00           N  
ATOM     34  CA  VAL A  33       4.468   1.086   9.477  1.00  0.00           C  
ATOM     35  C   VAL A  33       3.626   0.634  10.659  1.00  0.00           C  
ATOM     36  O   VAL A  33       3.752   1.154  11.766  1.00  0.00           O  
ATOM     37  H   VAL A  33       4.151  -0.045   7.660  1.00  0.00           H  
ATOM     38  N   VAL A  34       2.762  -0.345  10.407  1.00  0.00           N  
ATOM     39  CA  VAL A  34       1.880  -0.891  11.435  1.00  0.00           C  
ATOM     40  C   VAL A  34       2.588  -1.988  12.215  1.00  0.00           C  
ATOM     41  O   VAL A  34       2.281  -2.241  13.379  1.00  0.00           O  
ATOM     42  H   VAL A  34       2.703  -0.747   9.439  1.00  0.00           H  
ATOM     43  N   GLY A  35       3.542  -2.638  11.555  1.00  0.00           N  
ATOM     44  CA  GLY A  35       4.314  -3.718  12.163  1.00  0.00           C  
ATOM     45  C   GLY A  35       5.450  -3.153  13.001  1.00  0.00           C  
ATOM     46  O   GLY A  35       5.664  -3.563  14.141  1.00  0.00           O  
ATOM     47  H   GLY A  35       3.756  -2.374  10.561  1.00  0.00           H  
ATOM     48  N   LEU A  36       6.177  -2.204  12.419  1.00  0.00           N  
ATOM     49  CA  LEU A  36       7.302  -1.561  13.091  1.00  0.00           C  
ATOM     50  C   LEU A  36       6.828  -0.816  14.329  1.00  0.00           C  
ATOM     51  O   LEU A  36       7.438  -0.900  15.394  1.00  0.00           O  
ATOM     52  H   LEU A  36       5.942  -1.898  11.442  1.00  0.00           H  
ATOM     53  N   SER A  37       5.729  -0.085  14.173  1.00  0.00           N  
ATOM     54  CA  SER A  37       5.146   0.690  15.265  1.00  0.00           C  
ATOM     55  C   SER A  37       4.857  -0.207  16.458  1.00  0.00           C  
ATOM     56  O   SER A  37       4.903   0.229  17.608  1.00  0.00           O  
ATOM     57  H   SER A  37       5.255  -0.055  13.237  1.00  0.00           H  
ATOM     58  N   ALA A  38       4.557  -1.470  16.169  1.00  0.00           N  
ATOM     59  CA  ALA A  38       4.254  -2.456  17.201  1.00  0.00           C  
ATOM     60  C   ALA A  38       5.524  -2.882  17.920  1.00  0.00           C  
ATOM     61  O   ALA A  38       5.537  -3.060  19.137  1.00  0.00           O  
ATOM     62  H   ALA A  38       4.534  -1.779  15.165  1.00  0.00           H  
ATOM     63  N   LEU A  39       6.595  -3.042  17.148  1.00  0.00           N  
ATOM     64  CA  LEU A  39       7.890  -3.448  17.685  1.00  0.00           C  
ATOM     65  C   LEU A  39       8.421  -2.397  18.646  1.00  0.00           C  
ATOM     66  O   LEU A  39       8.938  -2.716  19.715  1.00  0.00           O  
ATOM     67  H   LEU A  39       6.517  -2.874  16.114  1.00  0.00           H  
ATOM     68  N   THR A  40       8.286  -1.135  18.249  1.00  0.00           N  
ATOM     69  CA  THR A  40       8.745  -0.009  19.057  1.00  0.00           C  
ATOM     70  C   THR A  40       7.674   0.401  20.055  1.00  0.00           C  
ATOM     71  O   THR A  40       7.967   0.974  21.103  1.00  0.00           O  
ATOM     72  H   THR A  40       7.835  -0.930  17.323  1.00  0.00           H  
ATOM     73  N   GLY A  41       6.424   0.099  19.713  1.00  0.00           N  
ATOM     74  CA  GLY A  41       5.283   0.426  20.562  1.00  0.00           C  
ATOM     75  C   GLY A  41       4.443  -0.813  20.825  1.00  0.00           C  
ATOM     76  O   GLY A  41       3.311  -0.726  21.299  1.00  0.00           O  
ATOM     77  H   GLY A  41       6.241  -0.391  18.803  1.00  0.00           H  
ATOM     78  N   TYR A  42       5.015  -1.972  20.510  1.00  0.00           N  
ATOM     79  CA  TYR A  42       4.340  -3.253  20.702  1.00  0.00           C  
ATOM     80  C   TYR A  42       5.220  -4.204  21.496  1.00  0.00           C  
ATOM     81  O   TYR A  42       4.735  -5.146  22.122  1.00  0.00           O  
ATOM     82  H   TYR A  42       5.985  -1.978  20.109  1.00  0.00           H  
ATOM     83  N   LEU A  43       6.524  -3.945  21.462  1.00  0.00           N  
ATOM     84  CA  LEU A  43       7.501  -4.765  22.172  1.00  0.00           C  
ATOM     85  C   LEU A  43       8.272  -3.924  23.176  1.00  0.00           C  
ATOM     86  O   LEU A  43       9.068  -4.440  23.960  1.00  0.00           O  
ATOM     87  H   LEU A  43       6.873  -3.124  20.908  1.00  0.00           H  
ATOM     88  N   ASP A  44       8.025  -2.618  23.142  1.00  0.00           N  
ATOM     89  CA  ASP A  44       8.684  -1.675  24.041  1.00  0.00           C  
ATOM     90  C   ASP A  44      10.194  -1.833  23.965  1.00  0.00           C  
ATOM     91  O   ASP A  44      10.916  -1.512  24.907  1.00  0.00           O  
ATOM     92  H   ASP A  44       7.334  -2.240  22.448  1.00  0.00           H  
ATOM     93  N   TYR A  45      10.662  -2.335  22.825  1.00  0.00           N  
ATOM     94  CA  TYR A  45      12.088  -2.548  22.595  1.00  0.00           C  
ATOM     95  C   TYR A  45      12.532  -1.847  21.321  1.00  0.00           C  
ATOM     96  O   TYR A  45      11.711  -1.391  20.527  1.00  0.00           O  
ATOM     97  H   TYR A  45       9.992  -2.589  22.058  1.00  0.00           H  
ATOM     98  N   VAL A  46      13.847  -1.768  21.137  1.00  0.00           N  
ATOM     99  CA  VAL A  46      14.433  -1.126  19.965  1.00  0.00           C  
ATOM    100  C   VAL A  46      14.522  -2.108  18.808  1.00  0.00           C  
ATOM    101  O   VAL A  46      14.164  -1.790  17.675  1.00  0.00           O  
ATOM    102  H   VAL A  46      14.495  -2.179  21.854  1.00  0.00           H  
ATOM    103  N   LEU A  47      15.004  -3.310  19.110  1.00  0.00           N  
ATOM    104  CA  LEU A  47      15.152  -4.365  18.112  1.00  0.00           C  
ATOM    105  C   LEU A  47      14.771  -5.713  18.702  1.00  0.00           C  
ATOM    106  O   LEU A  47      15.393  -6.192  19.649  1.00  0.00           O  
ATOM    107  H   LEU A  47      15.292  -3.518  20.098  1.00  0.00           H  
ATOM    108  N   LEU A  48      13.737  -6.320  18.127  1.00  0.00           N  
ATOM    109  CA  LEU A  48      13.247  -7.620  18.576  1.00  0.00           C  
ATOM    110  C   LEU A  48      13.980  -8.742  17.859  1.00  0.00           C  
ATOM    111  O   LEU A  48      13.746  -9.003  16.680  1.00  0.00           O  
ATOM    112  H   LEU A  48      13.248  -5.857  17.321  1.00  0.00           H  
ATOM    113  N   PRO A  49      14.873  -9.404  18.589  1.00  0.00           N  
ATOM    114  CA  PRO A  49      15.660 -10.508  18.047  1.00  0.00           C  
ATOM    115  C   PRO A  49      14.760 -11.502  17.331  1.00  0.00           C  
ATOM    116  O   PRO A  49      15.212 -12.283  16.495  1.00  0.00           O  
ATOM    117  N   ALA A  50      13.475 -11.462  17.672  1.00  0.00           N  
ATOM    118  CA  ALA A  50      12.482 -12.351  17.075  1.00  0.00           C  
ATOM    119  C   ALA A  50      11.396 -11.547  16.381  1.00  0.00           C  
ATOM    120  O   ALA A  50      10.986 -11.862  15.265  1.00  0.00           O  
ATOM    121  H   ALA A  50      13.152 -10.771  18.393  1.00  0.00           H  
ATOM    122  N   LEU A  51      10.934 -10.500  17.058  1.00  0.00           N  
ATOM    123  CA  LEU A  51       9.890  -9.626  16.529  1.00  0.00           C  
ATOM    124  C   LEU A  51      10.497  -8.540  15.657  1.00  0.00           C  
ATOM    125  O   LEU A  51      10.012  -8.258  14.562  1.00  0.00           O  
ATOM    126  H   LEU A  51      11.327 -10.284  18.008  1.00  0.00           H  
ATOM    127  N   ALA A  52      11.568  -7.931  16.159  1.00  0.00           N  
ATOM    128  CA  ALA A  52      12.266  -6.866  15.445  1.00  0.00           C  
ATOM    129  C   ALA A  52      12.681  -7.337  14.060  1.00  0.00           C  
ATOM    130  O   ALA A  52      12.276  -6.769  13.047  1.00  0.00           O  
ATOM    131  H   ALA A  52      11.932  -8.219  17.100  1.00  0.00           H  
ATOM    132  N   ILE A  53      13.497  -8.386  14.030  1.00  0.00           N  
ATOM    133  CA  ILE A  53      13.987  -8.959  12.780  1.00  0.00           C  
ATOM    134  C   ILE A  53      12.853  -9.094  11.776  1.00  0.00           C  
ATOM    135  O   ILE A  53      13.019  -8.823  10.588  1.00  0.00           O  
ATOM    136  H   ILE A  53      13.807  -8.826  14.932  1.00  0.00           H  
ATOM    137  N   PHE A  54      11.694  -9.518  12.272  1.00  0.00           N  
ATOM    138  CA  PHE A  54      10.509  -9.700  11.440  1.00  0.00           C  
ATOM    139  C   PHE A  54      10.059  -8.370  10.857  1.00  0.00           C  
ATOM    140  O   PHE A  54       9.709  -8.276   9.681  1.00  0.00           O  
ATOM    141  H   PHE A  54      11.618  -9.733  13.297  1.00  0.00           H  
ATOM    142  N   ILE A  55      10.072  -7.340  11.698  1.00  0.00           N  
ATOM    143  CA  ILE A  55       9.669  -5.996  11.293  1.00  0.00           C  
ATOM    144  C   ILE A  55      10.680  -5.407  10.324  1.00  0.00           C  
ATOM    145  O   ILE A  55      10.320  -4.872   9.276  1.00  0.00           O  
ATOM    146  H   ILE A  55      10.381  -7.487  12.691  1.00  0.00           H  
ATOM    147  N   GLY A  56      11.955  -5.512  10.688  1.00  0.00           N  
ATOM    148  CA  GLY A  56      13.046  -4.996   9.867  1.00  0.00           C  
ATOM    149  C   GLY A  56      13.128  -5.754   8.552  1.00  0.00           C  
ATOM    150  O   GLY A  56      13.075  -5.165   7.474  1.00  0.00           O  
ATOM    151  H   GLY A  56      12.196  -5.981  11.596  1.00  0.00           H  
ATOM    152  N   LEU A  57      13.256  -7.074   8.657  1.00  0.00           N  
ATOM    153  CA  LEU A  57      13.348  -7.944   7.488  1.00  0.00           C  
ATOM    154  C   LEU A  57      12.084  -7.843   6.649  1.00  0.00           C  
ATOM    155  O   LEU A  57      12.140  -7.669   5.433  1.00  0.00           O  
ATOM    156  H   LEU A  57      13.295  -7.516   9.608  1.00  0.00           H  
ATOM    157  N   THR A  58      10.940  -7.956   7.318  1.00  0.00           N  
ATOM    158  CA  THR A  58       9.640  -7.881   6.658  1.00  0.00           C  
ATOM    159  C   THR A  58       9.484  -6.552   5.937  1.00  0.00           C  
ATOM    160  O   THR A  58       9.020  -6.496   4.799  1.00  0.00           O  
ATOM    161  H   THR A  58      10.961  -8.103   8.358  1.00  0.00           H  
ATOM    162  N   ILE A  59       9.880  -5.480   6.617  1.00  0.00           N  
ATOM    163  CA  ILE A  59       9.796  -4.131   6.065  1.00  0.00           C  
ATOM    164  C   ILE A  59      10.551  -4.047   4.748  1.00  0.00           C  
ATOM    165  O   ILE A  59       9.978  -3.735   3.705  1.00  0.00           O  
ATOM    166  H   ILE A  59      10.268  -5.596   7.586  1.00  0.00           H  
ATOM    167  N   TYR A  60      11.848  -4.331   4.810  1.00  0.00           N  
ATOM    168  CA  TYR A  60      12.712  -4.296   3.634  1.00  0.00           C  
ATOM    169  C   TYR A  60      12.028  -4.962   2.451  1.00  0.00           C  
ATOM    170  O   TYR A  60      12.114  -4.491   1.318  1.00  0.00           O  
ATOM    171  H   TYR A  60      12.277  -4.591   5.733  1.00  0.00           H  
ATOM    172  N   ALA A  61      11.344  -6.068   2.730  1.00  0.00           N  
ATOM    173  CA  ALA A  61      10.631  -6.824   1.705  1.00  0.00           C  
ATOM    174  C   ALA A  61       9.605  -5.943   1.011  1.00  0.00           C  
ATOM    175  O   ALA A  61       9.454  -5.984  -0.209  1.00  0.00           O  
ATOM    176  H   ALA A  61      11.310  -6.418   3.720  1.00  0.00           H  
ATOM    177  N   ILE A  62       8.901  -5.144   1.807  1.00  0.00           N  
ATOM    178  CA  ILE A  62       7.878  -4.237   1.294  1.00  0.00           C  
ATOM    179  C   ILE A  62       8.506  -3.167   0.416  1.00  0.00           C  
ATOM    180  O   ILE A  62       7.977  -2.817  -0.637  1.00  0.00           O  
ATOM    181  H   ILE A  62       9.079  -5.157   2.841  1.00  0.00           H  
ATOM    182  N   GLN A  63       9.647  -2.651   0.866  1.00  0.00           N  
ATOM    183  CA  GLN A  63      10.374  -1.614   0.140  1.00  0.00           C  
ATOM    184  C   GLN A  63      10.856  -2.143  -1.201  1.00  0.00           C  
ATOM    185  O   GLN A  63      10.498  -1.623  -2.257  1.00  0.00           O  
ATOM    186  H   GLN A  63      10.046  -2.994   1.775  1.00  0.00           H  
ATOM    187  N   ARG A  64      11.677  -3.188  -1.146  1.00  0.00           N  
ATOM    188  CA  ARG A  64      12.228  -3.812  -2.345  1.00  0.00           C  
ATOM    189  C   ARG A  64      11.120  -4.132  -3.335  1.00  0.00           C  
ATOM    190  O   ARG A  64      11.247  -3.887  -4.534  1.00  0.00           O  
ATOM    191  H   ARG A  64      11.945  -3.586  -0.212  1.00  0.00           H  
ATOM    192  N   LYS A  65      10.027  -4.685  -2.816  1.00  0.00           N  
ATOM    193  CA  LYS A  65       8.874  -5.052  -3.634  1.00  0.00           C  
ATOM    194  C   LYS A  65       8.435  -3.877  -4.492  1.00  0.00           C  
ATOM    195  O   LYS A  65       7.984  -4.049  -5.623  1.00  0.00           O  
ATOM    196  H   LYS A  65       9.981  -4.869  -1.783  1.00  0.00           H  
ATOM    197  N   ARG A  66       8.572  -2.676  -3.936  1.00  0.00           N  
ATOM    198  CA  ARG A  66       8.196  -1.448  -4.629  1.00  0.00           C  
ATOM    199  C   ARG A  66       9.321  -0.986  -5.541  1.00  0.00           C  
ATOM    200  O   ARG A  66       9.085  -0.388  -6.590  1.00  0.00           O  
ATOM    201  H   ARG A  66       8.964  -2.598  -2.965  1.00  0.00           H  
ATOM    202  N   GLN A  67      10.552  -1.272  -5.126  1.00  0.00           N  
ATOM    203  CA  GLN A  67      11.739  -0.896  -5.888  1.00  0.00           C  
ATOM    204  C   GLN A  67      11.851  -1.738  -7.149  1.00  0.00           C  
ATOM    205  O   GLN A  67      11.786  -1.224  -8.265  1.00  0.00           O  
ATOM    206  H   GLN A  67      10.686  -1.785  -4.220  1.00  0.00           H  
ATOM    207  N   ALA A  68      12.019  -3.043  -6.956  1.00  0.00           N  
ATOM    208  CA  ALA A  68      12.144  -3.986  -8.064  1.00  0.00           C  
ATOM    209  C   ALA A  68      10.780  -4.281  -8.667  1.00  0.00           C  
ATOM    210  O   ALA A  68      10.641  -5.141  -9.536  1.00  0.00           O  
ATOM    211  H   ALA A  68      12.066  -3.419  -5.977  1.00  0.00           H  
ATOM    212  N   ASP A  69       9.772  -3.554  -8.192  1.00  0.00           N  
ATOM    213  CA  ASP A  69       8.401  -3.717  -8.668  1.00  0.00           C  
ATOM    214  C   ASP A  69       7.576  -2.482  -8.346  1.00  0.00           C  
ATOM    215  O   ASP A  69       7.985  -1.631  -7.557  1.00  0.00           O  
ATOM    216  H   ASP A  69       9.958  -2.836  -7.450  1.00  0.00           H  
ATOM    217  N   ALA A  70       6.405  -2.394  -8.971  1.00  0.00           N  
ATOM    218  CA  ALA A  70       5.496  -1.270  -8.769  1.00  0.00           C  
ATOM    219  H   ALA A  70       6.114  -3.155  -9.633  1.00  0.00           H  
TER     220      ALA A  70                                                      
MASTER      168    0    0    2    0    0    0    6  176    1    0    5          
END