HEADER    SIGNALING PROTEIN                       13-JAN-00   1DU1              
TITLE     PEPTIDE FRAGMENT THR671-LEU690 OF THE RABBIT SKELETAL DIHYDROPYRIDINE 
TITLE    2 RECEPTOR                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SKELETAL DIHYDROPYRIDINE RECEPTOR;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: II-III LOOP REGION, FRAGMENT THR671-LEU690 A1;             
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE 
SOURCE   4 OF THIS PEPTIDE NATURALLY OCCURS IN RABBIT (ORYCTOLAGUS CUNICULUS)   
KEYWDS    DIHYDROPYRIDINE RECEPTOR, RYANODINE RECEPTOR, SIGNALING PROTEIN       
EXPDTA    SOLUTION NMR                                                          
AUTHOR    M.CASAROTTO,A.DULHUNTY                                                
REVDAT   4   16-FEB-22 1DU1    1       REMARK                                   
REVDAT   3   24-FEB-09 1DU1    1       VERSN                                    
REVDAT   2   01-APR-03 1DU1    1       JRNL                                     
REVDAT   1   19-JUL-00 1DU1    0                                                
JRNL        AUTH   M.G.CASAROTTO,F.GIBSON,S.M.PACE,S.M.CURTIS,M.MULCAIR,        
JRNL        AUTH 2 A.F.DULHUNTY                                                 
JRNL        TITL   A STRUCTURAL REQUIREMENT FOR ACTIVATION OF SKELETAL          
JRNL        TITL 2 RYANODINE RECEPTORS BY PEPTIDES OF THE DIHYDROPYRIDINE       
JRNL        TITL 3 RECEPTOR II-III LOOP.                                        
JRNL        REF    J.BIOL.CHEM.                  V. 275 11631 2000              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   10766780                                                     
JRNL        DOI    10.1074/JBC.275.16.11631                                     
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   A.F.DULHUNTY,D.R.LAVER,E.M.GALLANT,M.G.CASAROTTO,S.M.PACE,   
REMARK   1  AUTH 2 S.CURTIS,S.PACE,S.CURTIS,M.MULCAIR                           
REMARK   1  TITL   ACTIVATION AND INHIBITION OF SKELETAL RYR CHANNELS BY A PART 
REMARK   1  TITL 2 OF THE SKELETAL DHPR II-III LOOP: EFFECTS OF DHPR SER687 AND 
REMARK   1  TITL 3 FKBP12                                                       
REMARK   1  REF    BIOPHYS.J.                    V.  77   189 1999              
REMARK   1  REFN                   ISSN 0006-3495                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF    
REMARK   3  223 RESTRAINTS, 212 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 7         
REMARK   3  DIHEDRAL ANGLE RESTRAINTS AND 4 DISTANCE CONSTRAINTS DERIVED        
REMARK   3  FROM HYDROGEN BONDS                                                 
REMARK   4                                                                      
REMARK   4 1DU1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-00.                  
REMARK 100 THE DEPOSITION ID IS D_1000010366.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 278                                
REMARK 210  PH                             : 5.0                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 4 MM PEPTIDE, NO BUFFER            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERNINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES                                              
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 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 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    ARG A    13     H    LYS A    15              1.51            
REMARK 500   O    ARG A    18     H    LEU A    20              1.53            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ALA A   8       33.95    -91.80                                   
REMARK 500    GLU A   9      -35.24   -163.72                                   
REMARK 500    GLU A  10       37.14    -75.37                                   
REMARK 500    ARG A  13       53.78     35.64                                   
REMARK 500    ARG A  14       61.54    -62.77                                   
REMARK 500    LYS A  15       92.41     51.38                                   
REMARK 500    MET A  16      177.86    -48.18                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  13         0.18    SIDE CHAIN                              
REMARK 500    ARG A  14         0.17    SIDE CHAIN                              
REMARK 500    ARG A  18         0.21    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1DU1 A    1    20  UNP    P07293   CAC1S_RABIT    671    690             
SEQRES   1 A   20  THR SER ALA GLN LYS ALA LYS ALA GLU GLU ARG LYS ARG          
SEQRES   2 A   20  ARG LYS MET SER ARG GLY LEU                                  
HELIX    1   1 THR A    1  ALA A    8  1                                   8    
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  N   THR A   1       5.700  -9.286  -9.888  1.00  3.05           N  
ATOM      2  CA  THR A   1       6.418  -9.657  -8.635  1.00  3.09           C  
ATOM      3  C   THR A   1       5.549  -9.342  -7.415  1.00  2.89           C  
ATOM      4  O   THR A   1       4.527  -8.693  -7.519  1.00  2.56           O  
ATOM      5  CB  THR A   1       7.681  -8.796  -8.632  1.00  3.07           C  
ATOM      6  OG1 THR A   1       7.316  -7.423  -8.632  1.00  2.71           O  
ATOM      7  CG2 THR A   1       8.516  -9.104  -9.876  1.00  3.41           C  
ATOM      8  H1  THR A   1       5.914  -8.298 -10.131  1.00  3.12           H  
ATOM      9  H2  THR A   1       4.675  -9.395  -9.746  1.00  3.40           H  
ATOM     10  H3  THR A   1       6.011  -9.905 -10.663  1.00  3.17           H  
ATOM     11  HA  THR A   1       6.685 -10.702  -8.649  1.00  3.57           H  
ATOM     12  HB  THR A   1       8.264  -9.013  -7.750  1.00  3.37           H  
ATOM     13  HG1 THR A   1       8.100  -6.907  -8.835  1.00  2.79           H  
ATOM     14 HG21 THR A   1       8.154  -8.517 -10.707  1.00  3.36           H  
ATOM     15 HG22 THR A   1       8.432 -10.155 -10.113  1.00  3.79           H  
ATOM     16 HG23 THR A   1       9.550  -8.859  -9.685  1.00  3.75           H  
ATOM     17  N   SER A   2       5.948  -9.795  -6.258  1.00  3.33           N  
ATOM     18  CA  SER A   2       5.144  -9.520  -5.032  1.00  3.40           C  
ATOM     19  C   SER A   2       5.053  -8.012  -4.786  1.00  2.91           C  
ATOM     20  O   SER A   2       3.984  -7.468  -4.591  1.00  2.65           O  
ATOM     21  CB  SER A   2       5.906 -10.203  -3.898  1.00  4.23           C  
ATOM     22  OG  SER A   2       6.706 -11.249  -4.433  1.00  4.55           O  
ATOM     23  H   SER A   2       6.775 -10.316  -6.194  1.00  3.76           H  
ATOM     24  HA  SER A   2       4.158  -9.948  -5.124  1.00  3.42           H  
ATOM     25  HB2 SER A   2       6.542  -9.487  -3.406  1.00  4.79           H  
ATOM     26  HB3 SER A   2       5.200 -10.605  -3.183  1.00  4.42           H  
ATOM     27  HG  SER A   2       7.604 -10.922  -4.518  1.00  4.89           H  
ATOM     28  N   ALA A   3       6.167  -7.331  -4.792  1.00  3.00           N  
ATOM     29  CA  ALA A   3       6.145  -5.865  -4.558  1.00  2.94           C  
ATOM     30  C   ALA A   3       5.305  -5.176  -5.632  1.00  2.25           C  
ATOM     31  O   ALA A   3       4.522  -4.290  -5.353  1.00  2.14           O  
ATOM     32  CB  ALA A   3       7.606  -5.425  -4.653  1.00  3.52           C  
ATOM     33  H   ALA A   3       7.016  -7.783  -4.949  1.00  3.28           H  
ATOM     34  HA  ALA A   3       5.760  -5.653  -3.581  1.00  3.24           H  
ATOM     35  HB1 ALA A   3       8.083  -5.936  -5.477  1.00  3.81           H  
ATOM     36  HB2 ALA A   3       8.117  -5.670  -3.734  1.00  3.93           H  
ATOM     37  HB3 ALA A   3       7.651  -4.359  -4.817  1.00  3.65           H  
ATOM     38  N   GLN A   4       5.465  -5.580  -6.859  1.00  2.01           N  
ATOM     39  CA  GLN A   4       4.687  -4.960  -7.957  1.00  1.86           C  
ATOM     40  C   GLN A   4       3.191  -5.075  -7.668  1.00  1.57           C  
ATOM     41  O   GLN A   4       2.418  -4.182  -7.957  1.00  1.73           O  
ATOM     42  CB  GLN A   4       5.056  -5.760  -9.208  1.00  2.15           C  
ATOM     43  CG  GLN A   4       6.227  -5.081  -9.920  1.00  2.90           C  
ATOM     44  CD  GLN A   4       6.451  -5.744 -11.281  1.00  3.49           C  
ATOM     45  OE1 GLN A   4       7.517  -6.262 -11.549  1.00  3.83           O  
ATOM     46  NE2 GLN A   4       5.484  -5.750 -12.157  1.00  4.09           N  
ATOM     47  H   GLN A   4       6.098  -6.289  -7.056  1.00  2.20           H  
ATOM     48  HA  GLN A   4       4.975  -3.938  -8.077  1.00  2.18           H  
ATOM     49  HB2 GLN A   4       5.339  -6.763  -8.923  1.00  2.34           H  
ATOM     50  HB3 GLN A   4       4.207  -5.800  -9.873  1.00  2.36           H  
ATOM     51  HG2 GLN A   4       6.004  -4.033 -10.062  1.00  3.32           H  
ATOM     52  HG3 GLN A   4       7.120  -5.181  -9.322  1.00  3.22           H  
ATOM     53 HE21 GLN A   4       4.624  -5.332 -11.941  1.00  4.25           H  
ATOM     54 HE22 GLN A   4       5.618  -6.172 -13.031  1.00  4.61           H  
ATOM     55  N   LYS A   5       2.781  -6.171  -7.096  1.00  1.60           N  
ATOM     56  CA  LYS A   5       1.335  -6.356  -6.781  1.00  1.80           C  
ATOM     57  C   LYS A   5       0.906  -5.384  -5.680  1.00  1.39           C  
ATOM     58  O   LYS A   5      -0.248  -5.018  -5.577  1.00  1.46           O  
ATOM     59  CB  LYS A   5       1.216  -7.801  -6.296  1.00  2.44           C  
ATOM     60  CG  LYS A   5      -0.258  -8.147  -6.079  1.00  3.10           C  
ATOM     61  CD  LYS A   5      -0.496  -8.464  -4.601  1.00  3.84           C  
ATOM     62  CE  LYS A   5      -0.847  -9.946  -4.447  1.00  4.68           C  
ATOM     63  NZ  LYS A   5      -0.604 -10.250  -3.010  1.00  5.20           N  
ATOM     64  H   LYS A   5       3.427  -6.874  -6.872  1.00  1.81           H  
ATOM     65  HA  LYS A   5       0.735  -6.213  -7.666  1.00  2.13           H  
ATOM     66  HB2 LYS A   5       1.638  -8.465  -7.036  1.00  2.76           H  
ATOM     67  HB3 LYS A   5       1.751  -7.912  -5.364  1.00  2.58           H  
ATOM     68  HG2 LYS A   5      -0.871  -7.306  -6.371  1.00  3.14           H  
ATOM     69  HG3 LYS A   5      -0.518  -9.008  -6.676  1.00  3.50           H  
ATOM     70  HD2 LYS A   5       0.400  -8.245  -4.038  1.00  4.13           H  
ATOM     71  HD3 LYS A   5      -1.312  -7.862  -4.230  1.00  3.95           H  
ATOM     72  HE2 LYS A   5      -1.885 -10.113  -4.699  1.00  4.98           H  
ATOM     73  HE3 LYS A   5      -0.205 -10.552  -5.067  1.00  5.02           H  
ATOM     74  HZ1 LYS A   5      -1.257 -10.996  -2.697  1.00  5.61           H  
ATOM     75  HZ2 LYS A   5      -0.760  -9.392  -2.442  1.00  5.38           H  
ATOM     76  HZ3 LYS A   5       0.376 -10.576  -2.885  1.00  5.38           H  
ATOM     77  N   ALA A   6       1.826  -4.965  -4.856  1.00  1.37           N  
ATOM     78  CA  ALA A   6       1.472  -4.021  -3.766  1.00  1.48           C  
ATOM     79  C   ALA A   6       0.829  -2.766  -4.354  1.00  1.25           C  
ATOM     80  O   ALA A   6      -0.085  -2.201  -3.792  1.00  1.29           O  
ATOM     81  CB  ALA A   6       2.799  -3.680  -3.088  1.00  2.18           C  
ATOM     82  H   ALA A   6       2.746  -5.269  -4.954  1.00  1.61           H  
ATOM     83  HA  ALA A   6       0.811  -4.494  -3.066  1.00  1.65           H  
ATOM     84  HB1 ALA A   6       3.342  -2.972  -3.696  1.00  2.37           H  
ATOM     85  HB2 ALA A   6       3.385  -4.579  -2.972  1.00  2.60           H  
ATOM     86  HB3 ALA A   6       2.606  -3.248  -2.117  1.00  2.72           H  
ATOM     87  N   LYS A   7       1.311  -2.325  -5.479  1.00  1.45           N  
ATOM     88  CA  LYS A   7       0.748  -1.110  -6.108  1.00  1.94           C  
ATOM     89  C   LYS A   7      -0.659  -1.383  -6.651  1.00  1.93           C  
ATOM     90  O   LYS A   7      -1.499  -0.506  -6.696  1.00  2.28           O  
ATOM     91  CB  LYS A   7       1.706  -0.777  -7.253  1.00  2.42           C  
ATOM     92  CG  LYS A   7       3.052  -0.329  -6.680  1.00  2.86           C  
ATOM     93  CD  LYS A   7       3.857   0.383  -7.769  1.00  3.59           C  
ATOM     94  CE  LYS A   7       5.336   0.011  -7.637  1.00  4.30           C  
ATOM     95  NZ  LYS A   7       5.995   0.634  -8.818  1.00  4.78           N  
ATOM     96  H   LYS A   7       2.049  -2.787  -5.904  1.00  1.50           H  
ATOM     97  HA  LYS A   7       0.736  -0.313  -5.401  1.00  2.31           H  
ATOM     98  HB2 LYS A   7       1.849  -1.654  -7.868  1.00  2.51           H  
ATOM     99  HB3 LYS A   7       1.289   0.018  -7.851  1.00  2.93           H  
ATOM    100  HG2 LYS A   7       2.884   0.347  -5.854  1.00  3.04           H  
ATOM    101  HG3 LYS A   7       3.601  -1.191  -6.335  1.00  3.06           H  
ATOM    102  HD2 LYS A   7       3.494   0.080  -8.740  1.00  3.90           H  
ATOM    103  HD3 LYS A   7       3.745   1.451  -7.659  1.00  3.76           H  
ATOM    104  HE2 LYS A   7       5.743   0.415  -6.719  1.00  4.62           H  
ATOM    105  HE3 LYS A   7       5.459  -1.060  -7.666  1.00  4.61           H  
ATOM    106  HZ1 LYS A   7       6.876   0.125  -9.032  1.00  4.97           H  
ATOM    107  HZ2 LYS A   7       6.211   1.630  -8.609  1.00  4.99           H  
ATOM    108  HZ3 LYS A   7       5.359   0.581  -9.639  1.00  5.12           H  
ATOM    109  N   ALA A   8      -0.919  -2.592  -7.068  1.00  1.93           N  
ATOM    110  CA  ALA A   8      -2.256  -2.925  -7.610  1.00  2.45           C  
ATOM    111  C   ALA A   8      -3.154  -3.440  -6.502  1.00  2.16           C  
ATOM    112  O   ALA A   8      -4.000  -4.290  -6.699  1.00  2.70           O  
ATOM    113  CB  ALA A   8      -2.017  -3.995  -8.675  1.00  3.13           C  
ATOM    114  H   ALA A   8      -0.241  -3.274  -7.021  1.00  1.87           H  
ATOM    115  HA  ALA A   8      -2.682  -2.054  -8.044  1.00  2.80           H  
ATOM    116  HB1 ALA A   8      -2.914  -4.125  -9.262  1.00  3.08           H  
ATOM    117  HB2 ALA A   8      -1.761  -4.928  -8.196  1.00  3.73           H  
ATOM    118  HB3 ALA A   8      -1.207  -3.687  -9.320  1.00  3.51           H  
ATOM    119  N   GLU A   9      -2.969  -2.916  -5.342  1.00  1.56           N  
ATOM    120  CA  GLU A   9      -3.798  -3.340  -4.186  1.00  1.64           C  
ATOM    121  C   GLU A   9      -3.689  -2.329  -3.041  1.00  1.43           C  
ATOM    122  O   GLU A   9      -4.639  -2.090  -2.322  1.00  1.72           O  
ATOM    123  CB  GLU A   9      -3.238  -4.702  -3.769  1.00  1.87           C  
ATOM    124  CG  GLU A   9      -3.035  -4.734  -2.252  1.00  2.10           C  
ATOM    125  CD  GLU A   9      -2.721  -6.163  -1.806  1.00  2.78           C  
ATOM    126  OE1 GLU A   9      -1.792  -6.741  -2.345  1.00  3.04           O  
ATOM    127  OE2 GLU A   9      -3.416  -6.655  -0.932  1.00  3.40           O  
ATOM    128  H   GLU A   9      -2.285  -2.236  -5.237  1.00  1.38           H  
ATOM    129  HA  GLU A   9      -4.816  -3.441  -4.493  1.00  2.05           H  
ATOM    130  HB2 GLU A   9      -3.933  -5.479  -4.055  1.00  2.39           H  
ATOM    131  HB3 GLU A   9      -2.292  -4.868  -4.260  1.00  1.67           H  
ATOM    132  HG2 GLU A   9      -2.213  -4.083  -1.990  1.00  1.88           H  
ATOM    133  HG3 GLU A   9      -3.935  -4.392  -1.761  1.00  2.27           H  
ATOM    134  N   GLU A  10      -2.541  -1.742  -2.857  1.00  1.30           N  
ATOM    135  CA  GLU A  10      -2.378  -0.763  -1.753  1.00  1.66           C  
ATOM    136  C   GLU A  10      -3.047   0.563  -2.100  1.00  1.80           C  
ATOM    137  O   GLU A  10      -2.571   1.625  -1.749  1.00  2.22           O  
ATOM    138  CB  GLU A  10      -0.869  -0.585  -1.584  1.00  2.06           C  
ATOM    139  CG  GLU A  10      -0.554  -0.257  -0.123  1.00  2.86           C  
ATOM    140  CD  GLU A  10       0.873  -0.700   0.204  1.00  3.55           C  
ATOM    141  OE1 GLU A  10       1.557  -1.144  -0.703  1.00  4.05           O  
ATOM    142  OE2 GLU A  10       1.259  -0.587   1.356  1.00  3.95           O  
ATOM    143  H   GLU A  10      -1.789  -1.951  -3.432  1.00  1.26           H  
ATOM    144  HA  GLU A  10      -2.804  -1.160  -0.856  1.00  1.90           H  
ATOM    145  HB2 GLU A  10      -0.365  -1.498  -1.865  1.00  2.26           H  
ATOM    146  HB3 GLU A  10      -0.529   0.224  -2.213  1.00  2.18           H  
ATOM    147  HG2 GLU A  10      -0.647   0.808   0.035  1.00  3.13           H  
ATOM    148  HG3 GLU A  10      -1.247  -0.778   0.521  1.00  3.16           H  
ATOM    149  N   ARG A  11      -4.163   0.506  -2.760  1.00  1.74           N  
ATOM    150  CA  ARG A  11      -4.886   1.751  -3.102  1.00  2.18           C  
ATOM    151  C   ARG A  11      -5.537   2.281  -1.831  1.00  2.25           C  
ATOM    152  O   ARG A  11      -5.551   3.465  -1.560  1.00  2.60           O  
ATOM    153  CB  ARG A  11      -5.941   1.341  -4.129  1.00  2.43           C  
ATOM    154  CG  ARG A  11      -6.491   2.588  -4.823  1.00  3.11           C  
ATOM    155  CD  ARG A  11      -7.432   2.171  -5.955  1.00  3.67           C  
ATOM    156  NE  ARG A  11      -6.547   1.549  -6.979  1.00  4.09           N  
ATOM    157  CZ  ARG A  11      -7.069   0.918  -7.996  1.00  4.95           C  
ATOM    158  NH1 ARG A  11      -8.347   0.652  -8.014  1.00  5.43           N  
ATOM    159  NH2 ARG A  11      -6.313   0.553  -8.995  1.00  5.62           N  
ATOM    160  H   ARG A  11      -4.534  -0.353  -3.007  1.00  1.62           H  
ATOM    161  HA  ARG A  11      -4.212   2.470  -3.520  1.00  2.51           H  
ATOM    162  HB2 ARG A  11      -5.493   0.687  -4.864  1.00  2.51           H  
ATOM    163  HB3 ARG A  11      -6.747   0.823  -3.631  1.00  2.72           H  
ATOM    164  HG2 ARG A  11      -7.033   3.189  -4.106  1.00  3.53           H  
ATOM    165  HG3 ARG A  11      -5.674   3.164  -5.230  1.00  3.40           H  
ATOM    166  HD2 ARG A  11      -8.157   1.454  -5.595  1.00  4.01           H  
ATOM    167  HD3 ARG A  11      -7.928   3.035  -6.371  1.00  3.91           H  
ATOM    168  HE  ARG A  11      -5.574   1.613  -6.890  1.00  3.97           H  
ATOM    169 HH11 ARG A  11      -8.927   0.931  -7.249  1.00  5.24           H  
ATOM    170 HH12 ARG A  11      -8.746   0.168  -8.793  1.00  6.19           H  
ATOM    171 HH21 ARG A  11      -5.334   0.756  -8.981  1.00  5.59           H  
ATOM    172 HH22 ARG A  11      -6.712   0.069  -9.774  1.00  6.35           H  
ATOM    173  N   LYS A  12      -6.057   1.387  -1.040  1.00  2.10           N  
ATOM    174  CA  LYS A  12      -6.693   1.779   0.234  1.00  2.40           C  
ATOM    175  C   LYS A  12      -5.615   1.905   1.313  1.00  2.54           C  
ATOM    176  O   LYS A  12      -4.487   1.499   1.115  1.00  2.84           O  
ATOM    177  CB  LYS A  12      -7.652   0.633   0.558  1.00  2.58           C  
ATOM    178  CG  LYS A  12      -6.848  -0.611   0.941  1.00  2.93           C  
ATOM    179  CD  LYS A  12      -7.217  -1.766   0.007  1.00  3.33           C  
ATOM    180  CE  LYS A  12      -8.726  -2.013   0.069  1.00  4.11           C  
ATOM    181  NZ  LYS A  12      -9.069  -2.623  -1.246  1.00  4.45           N  
ATOM    182  H   LYS A  12      -6.015   0.448  -1.281  1.00  1.96           H  
ATOM    183  HA  LYS A  12      -7.231   2.695   0.115  1.00  2.61           H  
ATOM    184  HB2 LYS A  12      -8.291   0.918   1.380  1.00  2.83           H  
ATOM    185  HB3 LYS A  12      -8.255   0.413  -0.310  1.00  2.88           H  
ATOM    186  HG2 LYS A  12      -5.793  -0.398   0.851  1.00  3.22           H  
ATOM    187  HG3 LYS A  12      -7.075  -0.888   1.959  1.00  3.31           H  
ATOM    188  HD2 LYS A  12      -6.934  -1.514  -1.005  1.00  3.45           H  
ATOM    189  HD3 LYS A  12      -6.695  -2.659   0.315  1.00  3.46           H  
ATOM    190  HE2 LYS A  12      -8.960  -2.694   0.876  1.00  4.28           H  
ATOM    191  HE3 LYS A  12      -9.255  -1.082   0.195  1.00  4.62           H  
ATOM    192  HZ1 LYS A  12      -8.399  -2.290  -1.968  1.00  4.57           H  
ATOM    193  HZ2 LYS A  12     -10.035  -2.345  -1.514  1.00  4.46           H  
ATOM    194  HZ3 LYS A  12      -9.012  -3.658  -1.174  1.00  4.98           H  
ATOM    195  N   ARG A  13      -5.944   2.457   2.447  1.00  2.78           N  
ATOM    196  CA  ARG A  13      -4.925   2.599   3.529  1.00  3.20           C  
ATOM    197  C   ARG A  13      -3.548   2.893   2.928  1.00  2.68           C  
ATOM    198  O   ARG A  13      -2.584   2.205   3.198  1.00  3.02           O  
ATOM    199  CB  ARG A  13      -4.916   1.247   4.246  1.00  4.09           C  
ATOM    200  CG  ARG A  13      -4.500   0.147   3.269  1.00  4.64           C  
ATOM    201  CD  ARG A  13      -4.188  -1.134   4.046  1.00  5.05           C  
ATOM    202  NE  ARG A  13      -2.909  -1.633   3.468  1.00  4.70           N  
ATOM    203  CZ  ARG A  13      -2.812  -2.873   3.074  1.00  5.46           C  
ATOM    204  NH1 ARG A  13      -3.833  -3.460   2.511  1.00  6.15           N  
ATOM    205  NH2 ARG A  13      -1.695  -3.526   3.243  1.00  5.82           N  
ATOM    206  H   ARG A  13      -6.860   2.778   2.590  1.00  2.95           H  
ATOM    207  HA  ARG A  13      -5.211   3.379   4.216  1.00  3.66           H  
ATOM    208  HB2 ARG A  13      -4.215   1.280   5.066  1.00  4.54           H  
ATOM    209  HB3 ARG A  13      -5.903   1.033   4.623  1.00  4.33           H  
ATOM    210  HG2 ARG A  13      -5.305  -0.040   2.575  1.00  4.95           H  
ATOM    211  HG3 ARG A  13      -3.621   0.459   2.726  1.00  4.80           H  
ATOM    212  HD2 ARG A  13      -4.067  -0.913   5.099  1.00  5.39           H  
ATOM    213  HD3 ARG A  13      -4.969  -1.863   3.900  1.00  5.52           H  
ATOM    214  HE  ARG A  13      -2.141  -1.030   3.384  1.00  4.06           H  
ATOM    215 HH11 ARG A  13      -4.689  -2.960   2.382  1.00  6.15           H  
ATOM    216 HH12 ARG A  13      -3.758  -4.411   2.209  1.00  6.81           H  
ATOM    217 HH21 ARG A  13      -0.913  -3.076   3.674  1.00  5.57           H  
ATOM    218 HH22 ARG A  13      -1.621  -4.476   2.940  1.00  6.51           H  
ATOM    219  N   ARG A  14      -3.453   3.904   2.109  1.00  2.43           N  
ATOM    220  CA  ARG A  14      -2.146   4.240   1.483  1.00  2.59           C  
ATOM    221  C   ARG A  14      -1.121   4.628   2.552  1.00  2.45           C  
ATOM    222  O   ARG A  14      -0.619   5.734   2.571  1.00  2.99           O  
ATOM    223  CB  ARG A  14      -2.441   5.427   0.566  1.00  3.08           C  
ATOM    224  CG  ARG A  14      -1.794   5.191  -0.801  1.00  3.67           C  
ATOM    225  CD  ARG A  14      -0.271   5.228  -0.659  1.00  4.42           C  
ATOM    226  NE  ARG A  14       0.162   3.809  -0.790  1.00  4.71           N  
ATOM    227  CZ  ARG A  14       1.431   3.507  -0.742  1.00  5.56           C  
ATOM    228  NH1 ARG A  14       2.319   4.345  -1.202  1.00  6.19           N  
ATOM    229  NH2 ARG A  14       1.811   2.367  -0.233  1.00  6.07           N  
ATOM    230  H   ARG A  14      -4.241   4.437   1.899  1.00  2.61           H  
ATOM    231  HA  ARG A  14      -1.793   3.410   0.902  1.00  3.04           H  
ATOM    232  HB2 ARG A  14      -3.510   5.533   0.446  1.00  3.41           H  
ATOM    233  HB3 ARG A  14      -2.036   6.328   1.002  1.00  3.31           H  
ATOM    234  HG2 ARG A  14      -2.098   4.225  -1.180  1.00  3.90           H  
ATOM    235  HG3 ARG A  14      -2.109   5.962  -1.487  1.00  3.94           H  
ATOM    236  HD2 ARG A  14       0.164   5.831  -1.445  1.00  4.86           H  
ATOM    237  HD3 ARG A  14       0.008   5.612   0.310  1.00  4.75           H  
ATOM    238  HE  ARG A  14      -0.506   3.103  -0.913  1.00  4.54           H  
ATOM    239 HH11 ARG A  14       2.028   5.219  -1.591  1.00  6.10           H  
ATOM    240 HH12 ARG A  14       3.291   4.113  -1.165  1.00  6.94           H  
ATOM    241 HH21 ARG A  14       1.130   1.725   0.119  1.00  5.87           H  
ATOM    242 HH22 ARG A  14       2.783   2.136  -0.196  1.00  6.85           H  
ATOM    243  N   LYS A  15      -0.808   3.728   3.444  1.00  2.32           N  
ATOM    244  CA  LYS A  15       0.181   4.046   4.511  1.00  2.48           C  
ATOM    245  C   LYS A  15      -0.202   5.349   5.213  1.00  2.32           C  
ATOM    246  O   LYS A  15       0.170   6.427   4.793  1.00  2.99           O  
ATOM    247  CB  LYS A  15       1.518   4.200   3.787  1.00  3.44           C  
ATOM    248  CG  LYS A  15       2.658   3.980   4.782  1.00  4.01           C  
ATOM    249  CD  LYS A  15       3.346   2.646   4.484  1.00  4.95           C  
ATOM    250  CE  LYS A  15       2.625   1.521   5.229  1.00  5.89           C  
ATOM    251  NZ  LYS A  15       3.059   1.659   6.647  1.00  6.49           N  
ATOM    252  H   LYS A  15      -1.227   2.843   3.414  1.00  2.56           H  
ATOM    253  HA  LYS A  15       0.239   3.238   5.222  1.00  2.75           H  
ATOM    254  HB2 LYS A  15       1.584   3.470   2.993  1.00  3.98           H  
ATOM    255  HB3 LYS A  15       1.591   5.193   3.371  1.00  3.79           H  
ATOM    256  HG2 LYS A  15       3.373   4.784   4.693  1.00  4.18           H  
ATOM    257  HG3 LYS A  15       2.259   3.961   5.785  1.00  4.13           H  
ATOM    258  HD2 LYS A  15       3.314   2.455   3.421  1.00  5.12           H  
ATOM    259  HD3 LYS A  15       4.374   2.691   4.811  1.00  5.19           H  
ATOM    260  HE2 LYS A  15       1.554   1.643   5.146  1.00  6.27           H  
ATOM    261  HE3 LYS A  15       2.926   0.560   4.842  1.00  6.08           H  
ATOM    262  HZ1 LYS A  15       3.080   0.722   7.096  1.00  6.98           H  
ATOM    263  HZ2 LYS A  15       2.390   2.274   7.155  1.00  6.58           H  
ATOM    264  HZ3 LYS A  15       4.009   2.079   6.680  1.00  6.61           H  
ATOM    265  N   MET A  16      -0.944   5.255   6.279  1.00  2.36           N  
ATOM    266  CA  MET A  16      -1.356   6.486   7.013  1.00  3.15           C  
ATOM    267  C   MET A  16      -0.144   7.392   7.246  1.00  3.14           C  
ATOM    268  O   MET A  16       0.969   7.060   6.890  1.00  3.87           O  
ATOM    269  CB  MET A  16      -1.916   5.985   8.345  1.00  3.95           C  
ATOM    270  CG  MET A  16      -3.432   6.185   8.369  1.00  5.08           C  
ATOM    271  SD  MET A  16      -3.809   7.953   8.298  1.00  6.26           S  
ATOM    272  CE  MET A  16      -4.714   7.930   6.731  1.00  7.06           C  
ATOM    273  H   MET A  16      -1.232   4.374   6.597  1.00  2.47           H  
ATOM    274  HA  MET A  16      -2.122   7.012   6.466  1.00  3.76           H  
ATOM    275  HB2 MET A  16      -1.688   4.934   8.458  1.00  3.85           H  
ATOM    276  HB3 MET A  16      -1.468   6.540   9.155  1.00  4.27           H  
ATOM    277  HG2 MET A  16      -3.874   5.688   7.518  1.00  5.35           H  
ATOM    278  HG3 MET A  16      -3.836   5.768   9.279  1.00  5.29           H  
ATOM    279  HE1 MET A  16      -5.712   8.317   6.888  1.00  7.56           H  
ATOM    280  HE2 MET A  16      -4.778   6.918   6.365  1.00  7.22           H  
ATOM    281  HE3 MET A  16      -4.194   8.540   6.006  1.00  7.21           H  
ATOM    282  N   SER A  17      -0.352   8.534   7.842  1.00  2.88           N  
ATOM    283  CA  SER A  17       0.788   9.459   8.098  1.00  3.44           C  
ATOM    284  C   SER A  17       1.554   9.018   9.346  1.00  3.17           C  
ATOM    285  O   SER A  17       1.747   9.781  10.271  1.00  3.91           O  
ATOM    286  CB  SER A  17       0.145  10.828   8.317  1.00  4.51           C  
ATOM    287  OG  SER A  17       1.166  11.802   8.499  1.00  5.28           O  
ATOM    288  H   SER A  17      -1.257   8.782   8.122  1.00  2.77           H  
ATOM    289  HA  SER A  17       1.445   9.493   7.244  1.00  3.82           H  
ATOM    290  HB2 SER A  17      -0.447  11.092   7.458  1.00  4.80           H  
ATOM    291  HB3 SER A  17      -0.490  10.790   9.192  1.00  4.80           H  
ATOM    292  HG  SER A  17       1.015  12.510   7.870  1.00  5.46           H  
ATOM    293  N   ARG A  18       1.996   7.791   9.377  1.00  2.72           N  
ATOM    294  CA  ARG A  18       2.749   7.297  10.551  1.00  3.33           C  
ATOM    295  C   ARG A  18       3.819   6.299  10.104  1.00  3.35           C  
ATOM    296  O   ARG A  18       3.564   5.119   9.974  1.00  3.76           O  
ATOM    297  CB  ARG A  18       1.708   6.609  11.437  1.00  4.24           C  
ATOM    298  CG  ARG A  18       0.820   7.662  12.102  1.00  4.89           C  
ATOM    299  CD  ARG A  18       1.544   8.249  13.316  1.00  5.88           C  
ATOM    300  NE  ARG A  18       0.984   9.620  13.471  1.00  6.66           N  
ATOM    301  CZ  ARG A  18       1.775  10.657  13.423  1.00  7.45           C  
ATOM    302  NH1 ARG A  18       2.723  10.713  12.527  1.00  7.99           N  
ATOM    303  NH2 ARG A  18       1.618  11.637  14.270  1.00  7.96           N  
ATOM    304  H   ARG A  18       1.837   7.198   8.627  1.00  2.48           H  
ATOM    305  HA  ARG A  18       3.192   8.118  11.071  1.00  3.78           H  
ATOM    306  HB2 ARG A  18       1.098   5.954  10.831  1.00  4.46           H  
ATOM    307  HB3 ARG A  18       2.209   6.031  12.198  1.00  4.68           H  
ATOM    308  HG2 ARG A  18       0.604   8.450  11.395  1.00  5.01           H  
ATOM    309  HG3 ARG A  18      -0.103   7.204  12.424  1.00  5.00           H  
ATOM    310  HD2 ARG A  18       1.341   7.654  14.196  1.00  6.14           H  
ATOM    311  HD3 ARG A  18       2.606   8.302  13.132  1.00  6.09           H  
ATOM    312  HE  ARG A  18       0.022   9.743  13.611  1.00  6.78           H  
ATOM    313 HH11 ARG A  18       2.843   9.962  11.879  1.00  7.84           H  
ATOM    314 HH12 ARG A  18       3.328  11.508  12.490  1.00  8.72           H  
ATOM    315 HH21 ARG A  18       0.892  11.594  14.956  1.00  7.77           H  
ATOM    316 HH22 ARG A  18       2.224  12.432  14.232  1.00  8.68           H  
ATOM    317  N   GLY A  19       5.014   6.764   9.863  1.00  3.58           N  
ATOM    318  CA  GLY A  19       6.097   5.841   9.421  1.00  4.24           C  
ATOM    319  C   GLY A  19       6.447   4.881  10.559  1.00  4.29           C  
ATOM    320  O   GLY A  19       7.578   4.811  10.999  1.00  5.08           O  
ATOM    321  H   GLY A  19       5.199   7.721   9.971  1.00  3.72           H  
ATOM    322  HA2 GLY A  19       5.761   5.277   8.563  1.00  4.72           H  
ATOM    323  HA3 GLY A  19       6.973   6.413   9.156  1.00  4.72           H  
ATOM    324  N   LEU A  20       5.486   4.141  11.041  1.00  3.92           N  
ATOM    325  CA  LEU A  20       5.768   3.187  12.153  1.00  4.66           C  
ATOM    326  C   LEU A  20       6.303   1.865  11.593  1.00  4.85           C  
ATOM    327  O   LEU A  20       6.745   1.046  12.382  1.00  5.26           O  
ATOM    328  CB  LEU A  20       4.420   2.984  12.854  1.00  5.05           C  
ATOM    329  CG  LEU A  20       3.729   1.729  12.313  1.00  6.12           C  
ATOM    330  CD1 LEU A  20       2.409   1.513  13.056  1.00  6.67           C  
ATOM    331  CD2 LEU A  20       3.449   1.904  10.819  1.00  6.81           C  
ATOM    332  OXT LEU A  20       6.260   1.695  10.386  1.00  5.03           O  
ATOM    333  H   LEU A  20       4.580   4.213  10.673  1.00  3.50           H  
ATOM    334  HA  LEU A  20       6.478   3.616  12.842  1.00  5.29           H  
ATOM    335  HB2 LEU A  20       4.583   2.874  13.916  1.00  4.85           H  
ATOM    336  HB3 LEU A  20       3.791   3.843  12.675  1.00  5.21           H  
ATOM    337  HG  LEU A  20       4.370   0.873  12.464  1.00  6.37           H  
ATOM    338 HD11 LEU A  20       2.350   2.196  13.890  1.00  6.79           H  
ATOM    339 HD12 LEU A  20       2.363   0.497  13.419  1.00  6.79           H  
ATOM    340 HD13 LEU A  20       1.584   1.694  12.383  1.00  7.15           H  
ATOM    341 HD21 LEU A  20       4.283   2.407  10.353  1.00  6.99           H  
ATOM    342 HD22 LEU A  20       2.553   2.494  10.688  1.00  7.18           H  
ATOM    343 HD23 LEU A  20       3.312   0.935  10.363  1.00  7.05           H  
TER     344      LEU A  20                                                      
MASTER      130    0    0    1    0    0    0    6  162    1    0    2          
END