HEADER    ANTIBIOTIC                              21-JUN-02   1M24              
TITLE     TRICHOTOXIN_A50E, AN ION CHANNEL-FORMING POLYPEPTIDE                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TRICHOTOXIN_A50E;                                          
COMPND   3 CHAIN: A, B                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: TRICHODERMA VIRIDE;                             
SOURCE   3 ORGANISM_COMMON: FUNGI;                                              
SOURCE   4 STRAIN: NRRL 5242                                                    
KEYWDS    HELICAL BUNDLE, ION CHANNEL, PEPTAIBOL, ANTIBIOTIC                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.K.CHUGH,H.BRUECKNER,B.A.WALLACE                                     
REVDAT   1   06-NOV-02 1M24    0                                                
JRNL        AUTH   J.K.CHUGH,H.BRUECKNER,B.A.WALLACE                            
JRNL        TITL   MODEL FOR A HELICAL BUNDLE CHANNEL BASED ON THE              
JRNL        TITL 2 HIGH-RESOLUTION CRYSTAL STRUCTURE OF                         
JRNL        TITL 3 TRICHOTOXIN_A50E                                             
JRNL        REF    BIOCHEMISTRY                  V.  41 12934 2002              
JRNL        REFN   ASTM BICHAW  US ISSN 0006-2960                               
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 0.90 ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : SHELXL-97                                            
REMARK   3   AUTHORS     : G.M.SHELDRICK                                        
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 0.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 10.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (NO CUTOFF).                         
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : 0.076                  
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : 0.075                  
REMARK   3   FREE R VALUE                  (NO CUTOFF) : 0.092                  
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.100                  
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : 688                    
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : 13427                  
REMARK   3                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).                     
REMARK   3   R VALUE   (WORKING + TEST SET, F>4SIG(F)) : 0.057                  
REMARK   3   R VALUE          (WORKING SET, F>4SIG(F)) : 0.056                  
REMARK   3   FREE R VALUE                  (F>4SIG(F)) : 0.072                  
REMARK   3   FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.000                  
REMARK   3   FREE R VALUE TEST SET COUNT   (F>4SIG(F)) : 508                    
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (F>4SIG(F)) : 10153                  
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS      : 510                                           
REMARK   3   NUCLEIC ACID ATOMS : 0                                             
REMARK   3   HETEROGEN ATOMS    : 0                                             
REMARK   3   SOLVENT ATOMS      : 17                                            
REMARK   3                                                                      
REMARK   3  MODEL REFINEMENT.                                                   
REMARK   3   OCCUPANCY SUM OF NON-HYDROGEN ATOMS      : 249.00                  
REMARK   3   OCCUPANCY SUM OF HYDROGEN ATOMS          : 278.00                  
REMARK   3   NUMBER OF DISCRETELY DISORDERED RESIDUES : 0                       
REMARK   3   NUMBER OF LEAST-SQUARES PARAMETERS       : 2244                    
REMARK   3   NUMBER OF RESTRAINTS                     : 2814                    
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.                        
REMARK   3   BOND LENGTHS                         (A) : 0.026                   
REMARK   3   ANGLE DISTANCES                      (A) : 0.026                   
REMARK   3   SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000                   
REMARK   3   DISTANCES FROM RESTRAINT PLANES      (A) : 0.026                   
REMARK   3   ZERO CHIRAL VOLUMES               (A**3) : 0.101                   
REMARK   3   NON-ZERO CHIRAL VOLUMES           (A**3) : 1.186                   
REMARK   3   ANTI-BUMPING DISTANCE RESTRAINTS     (A) : 0.000                   
REMARK   3   RIGID-BOND ADP COMPONENTS         (A**2) : 0.006                   
REMARK   3   SIMILAR ADP COMPONENTS            (A**2) : 0.030                   
REMARK   3   APPROXIMATELY ISOTROPIC ADPS      (A**2) : 0.091                   
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED: NULL                                                  
REMARK   3                                                                      
REMARK   3  STEREOCHEMISTRY TARGET VALUES : ENGH & HUBER                        
REMARK   3   SPECIAL CASE: NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: USED WEIGHTED FULL MATRIX LEAST           
REMARK   3  SQUARES PROCEDURE, NO RESTRAINTS USED                               
REMARK   4                                                                      
REMARK   4 1M24 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998                       
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-JUN-2002.                
REMARK 100 THE RCSB ID CODE IS RCSB016502.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 24-APR-2001                        
REMARK 200  TEMPERATURE           (KELVIN) : 150.0                              
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SRS                                
REMARK 200  BEAMLINE                       : 9.8                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.6883                             
REMARK 200  MONOCHROMATOR                  : SILICON 111                        
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : BRUKER SMART VERSION 5.054         
REMARK 200  DATA SCALING SOFTWARE          : BRUKER SAINT VERSION 6.02A         
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13427                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 0.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 10.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 2.790                              
REMARK 200  R MERGE                    (I) : 0.05140                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.0300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 0.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 0.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.18                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.26140                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.360                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP, ARP/WARP                                      
REMARK 200 STARTING MODEL: MODEL OF HELICAL PEPTIDE, RESIDUES 1-13.             
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 8.3                                       
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.30                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: METHANOL:ACETONITRILE 1:10               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR                     
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).                
REMARK 350                                                                      
REMARK 350 GENERATING THE BIOMOLECULE                                           
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 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE SEQUENCE FOR CHAIN A AND B ARE FROM                              
REMARK 999 THE PEPTAIBOL DATABASE, TRICHOTOXIN_A-50_E                           
SEQRES   1 A   19  ACE AIB GLY AIB LEU AIB GLN AIB AIB AIB ALA ALA AIB          
SEQRES   2 A   19  PRO LEU AIB AIB GLN VOL                                      
SEQRES   1 B   19  ACE AIB GLY AIB LEU AIB GLN AIB AIB AIB ALA ALA AIB          
SEQRES   2 B   19  PRO LEU AIB AIB GLN VOL                                      
MODRES 1M24 AIB A    1  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A    3  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A    5  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A    7  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A    8  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A    9  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A   12  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A   15  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB A   16  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 VOL A   18       L-VALINOL                                          
MODRES 1M24 AIB B    1  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B    3  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B    5  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B    7  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B    8  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B    9  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B   12  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B   15  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 AIB B   16  ALA  ALPHA-AMINOISOBUTYRIC ACID                         
MODRES 1M24 VOL B   18       L-VALINOL                                          
HET    ACE  A   0       6                                                       
HET    AIB  A   1      13                                                       
HET    AIB  A   3      13                                                       
HET    AIB  A   5      13                                                       
HET    AIB  A   7      13                                                       
HET    AIB  A   8      13                                                       
HET    AIB  A   9      13                                                       
HET    AIB  A  12      13                                                       
HET    AIB  A  15      13                                                       
HET    AIB  A  16      13                                                       
HET    VOL  A  18      19                                                       
HET    ACE  B   0       6                                                       
HET    AIB  B   1      13                                                       
HET    AIB  B   3      13                                                       
HET    AIB  B   5      13                                                       
HET    AIB  B   7      13                                                       
HET    AIB  B   8      13                                                       
HET    AIB  B   9      13                                                       
HET    AIB  B  12      13                                                       
HET    AIB  B  15      13                                                       
HET    AIB  B  16      13                                                       
HET    VOL  B  18      19                                                       
HET    CCN     11       6                                                       
HET    CCN     12       6                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     AIB ALPHA-AMINOISOBUTYRIC ACID                                       
HETNAM     VOL L-VALINOL                                                        
HETNAM     CCN ACETONITRILE                                                     
FORMUL   1  ACE    2(C2 H3 O1)                                                  
FORMUL   1  AIB    18(C4 H9 N1 O2)                                              
FORMUL   1  VOL    2(C5 H13 N1 O1)                                              
FORMUL   3  CCN    2(C2 H3 N1)                                                  
FORMUL   5  HOH   *5(H2 O1)                                                     
CRYST1    9.490   16.850   31.680  95.77  98.07  99.45 P 1           2          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.105374  0.017539  0.017299        0.00000                         
SCALE2      0.000000  0.060164  0.007675        0.00000                         
SCALE3      0.000000  0.000000  0.032140        0.00000                         
HETATM    1  C   ACE A   0       3.466   5.475  29.446  1.00  4.46           C  
HETATM    2  O   ACE A   0       3.268   5.775  28.243  1.00  4.96           O  
HETATM    3  CH3 ACE A   0       2.332   5.601  30.465  1.00  6.06           C  
HETATM    4 1H   ACE A   0       2.650   5.338  31.332  1.00  9.09           H  
HETATM    5 2H   ACE A   0       1.604   5.031  30.206  1.00  9.09           H  
HETATM    6 3H   ACE A   0       2.029   6.511  30.498  1.00  9.09           H  
HETATM    7  N   AIB A   1       4.656   5.074  29.882  1.00  4.47           N  
HETATM    8  CA  AIB A   1       5.822   5.023  29.012  1.00  4.39           C  
HETATM    9  C   AIB A   1       5.510   4.135  27.812  1.00  3.57           C  
HETATM   10  O1  AIB A   1       5.843   4.454  26.664  1.00  4.42           O  
HETATM   11  CB1 AIB A   1       6.960   4.359  29.800  1.00  5.74           C  
HETATM   12  CB2 AIB A   1       6.267   6.403  28.580  1.00  6.42           C  
HETATM   13 1HN  AIB A   1       4.739   4.836  30.704  1.00  5.36           H  
HETATM   14 1HB1 AIB A   1       7.171   4.894  30.569  1.00  8.61           H  
HETATM   15 2HB1 AIB A   1       7.736   4.284  29.239  1.00  8.61           H  
HETATM   16 3HB1 AIB A   1       6.685   3.485  30.084  1.00  8.61           H  
HETATM   17 1HB2 AIB A   1       5.559   6.829  28.090  1.00  9.63           H  
HETATM   18 2HB2 AIB A   1       7.043   6.328  28.020  1.00  9.63           H  
HETATM   19 3HB2 AIB A   1       6.480   6.928  29.355  1.00  9.63           H  
ATOM     20  N   GLY A   2       4.933   2.965  28.039  1.00  3.74           N  
ATOM     21  CA  GLY A   2       4.701   2.016  26.976  1.00  3.54           C  
ATOM     22  C   GLY A   2       3.609   2.486  26.018  1.00  3.25           C  
ATOM     23  O   GLY A   2       3.752   2.319  24.788  1.00  3.60           O  
ATOM     24  H   GLY A   2       4.690   2.765  28.840  1.00  4.49           H  
ATOM     25 1HA  GLY A   2       5.524   1.884  26.481  1.00  4.24           H  
ATOM     26 2HA  GLY A   2       4.443   1.163  27.360  1.00  4.24           H  
HETATM   27  N   AIB A   3       2.551   3.073  26.536  1.00  3.38           N  
HETATM   28  CA  AIB A   3       1.477   3.658  25.710  1.00  3.54           C  
HETATM   29  C   AIB A   3       2.094   4.632  24.736  1.00  3.18           C  
HETATM   30  O1  AIB A   3       1.789   4.663  23.531  1.00  3.74           O  
HETATM   31  CB1 AIB A   3       0.517   4.407  26.620  1.00  4.18           C  
HETATM   32  CB2 AIB A   3       0.719   2.542  24.984  1.00  4.10           C  
HETATM   33 1HN  AIB A   3       2.483   3.118  27.392  1.00  4.05           H  
HETATM   34 1HB1 AIB A   3       0.120   3.793  27.241  1.00  6.27           H  
HETATM   35 2HB1 AIB A   3      -0.171   4.817  26.091  1.00  6.27           H  
HETATM   36 3HB1 AIB A   3       0.996   5.085  27.102  1.00  6.27           H  
HETATM   37 1HB2 AIB A   3       0.336   1.943  25.629  1.00  6.15           H  
HETATM   38 2HB2 AIB A   3       1.325   2.059  24.418  1.00  6.15           H  
HETATM   39 3HB2 AIB A   3       0.019   2.926  24.449  1.00  6.15           H  
ATOM     40  N   LEU A   4       2.983   5.513  25.250  1.00  3.24           N  
ATOM     41  CA  LEU A   4       3.605   6.536  24.416  1.00  3.51           C  
ATOM     42  C   LEU A   4       4.519   5.899  23.391  1.00  2.96           C  
ATOM     43  O   LEU A   4       4.486   6.261  22.196  1.00  3.51           O  
ATOM     44  CB  LEU A   4       4.312   7.535  25.319  1.00  3.82           C  
ATOM     45  CG  LEU A   4       4.594   8.899  24.682  1.00  4.76           C  
ATOM     46  CD1 LEU A   4       4.924   9.913  25.777  1.00  6.10           C  
ATOM     47  CD2 LEU A   4       5.706   8.891  23.662  1.00  6.25           C  
ATOM     48  H   LEU A   4       3.186   5.469  26.084  1.00  3.89           H  
ATOM     49  HA  LEU A   4       2.894   7.010  23.937  1.00  4.21           H  
ATOM     50 1HB  LEU A   4       3.770   7.671  26.111  1.00  4.58           H  
ATOM     51 2HB  LEU A   4       5.155   7.148  25.605  1.00  4.58           H  
ATOM     52  HG  LEU A   4       3.776   9.196  24.233  1.00  5.71           H  
ATOM     53 1HD1 LEU A   4       4.217   9.923  26.427  1.00  9.15           H  
ATOM     54 2HD1 LEU A   4       5.013  10.786  25.388  1.00  9.15           H  
ATOM     55 3HD1 LEU A   4       5.748   9.666  26.203  1.00  9.15           H  
ATOM     56 1HD2 LEU A   4       5.499   8.261  22.968  1.00  9.38           H  
ATOM     57 2HD2 LEU A   4       6.529   8.640  24.088  1.00  9.38           H  
ATOM     58 3HD2 LEU A   4       5.797   9.768  23.281  1.00  9.38           H  
HETATM   59  N   AIB A   5       5.349   4.937  23.815  1.00  3.06           N  
HETATM   60  CA  AIB A   5       6.243   4.214  22.904  1.00  3.45           C  
HETATM   61  C   AIB A   5       5.425   3.730  21.700  1.00  3.14           C  
HETATM   62  O1  AIB A   5       5.860   3.802  20.542  1.00  3.81           O  
HETATM   63  CB1 AIB A   5       6.770   2.977  23.637  1.00  3.93           C  
HETATM   64  CB2 AIB A   5       7.393   5.119  22.470  1.00  4.83           C  
HETATM   65 1HN  AIB A   5       5.357   4.736  24.651  1.00  3.67           H  
HETATM   66 1HB1 AIB A   5       7.286   3.251  24.398  1.00  5.90           H  
HETATM   67 2HB1 AIB A   5       7.324   2.464  23.043  1.00  5.90           H  
HETATM   68 3HB1 AIB A   5       6.031   2.438  23.929  1.00  5.90           H  
HETATM   69 1HB2 AIB A   5       7.884   5.405  23.244  1.00  7.25           H  
HETATM   70 2HB2 AIB A   5       7.041   5.886  22.012  1.00  7.25           H  
HETATM   71 3HB2 AIB A   5       7.977   4.634  21.882  1.00  7.25           H  
ATOM     72  N   GLN A   6       4.273   3.142  21.981  1.00  2.97           N  
ATOM     73  CA  GLN A   6       3.444   2.504  20.950  1.00  3.11           C  
ATOM     74  C   GLN A   6       2.785   3.522  20.029  1.00  2.69           C  
ATOM     75  O   GLN A   6       2.741   3.298  18.811  1.00  2.79           O  
ATOM     76  CB  GLN A   6       2.465   1.586  21.610  1.00  3.88           C  
ATOM     77  CG  GLN A   6       1.710   0.733  20.597  1.00  5.41           C  
ATOM     78  CD  GLN A   6       1.097  -0.491  21.213  1.00  6.93           C  
ATOM     79  OE1 GLN A   6       1.657  -1.201  22.018  1.00  8.65           O  
ATOM     80  NE2 GLN A   6      -0.082  -0.791  20.710  1.00 19.71           N  
ATOM     81  H   GLN A   6       4.000   3.134  22.796  1.00  3.56           H  
ATOM     82  HA  GLN A   6       4.037   1.952  20.399  1.00  3.73           H  
ATOM     83 1HB  GLN A   6       2.938   1.005  22.227  1.00  4.66           H  
ATOM     84 2HB  GLN A   6       1.830   2.111  22.122  1.00  4.66           H  
ATOM     85 1HG  GLN A   6       1.010   1.268  20.192  1.00  6.49           H  
ATOM     86 2HG  GLN A   6       2.321   0.462  19.894  1.00  6.49           H  
ATOM     87 1HE2 GLN A   6      -0.482  -1.513  20.952  1.00 23.65           H  
ATOM     88 2HE2 GLN A   6      -0.453  -0.264  20.140  1.00 23.65           H  
HETATM   89  N   AIB A   7       2.248   4.597  20.603  1.00  2.80           N  
HETATM   90  CA  AIB A   7       1.642   5.684  19.805  1.00  3.06           C  
HETATM   91  C   AIB A   7       2.689   6.163  18.780  1.00  2.93           C  
HETATM   92  O1  AIB A   7       2.408   6.283  17.590  1.00  3.53           O  
HETATM   93  CB1 AIB A   7       1.319   6.835  20.776  1.00  4.38           C  
HETATM   94  CB2 AIB A   7       0.383   5.201  19.117  1.00  3.85           C  
HETATM   95 1HN  AIB A   7       2.253   4.661  21.460  1.00  3.35           H  
HETATM   96 1HB1 AIB A   7       2.128   7.137  21.194  1.00  6.57           H  
HETATM   97 2HB1 AIB A   7       0.708   6.524  21.448  1.00  6.57           H  
HETATM   98 3HB1 AIB A   7       0.919   7.560  20.290  1.00  6.57           H  
HETATM   99 1HB2 AIB A   7      -0.251   4.912  19.778  1.00  5.78           H  
HETATM  100 2HB2 AIB A   7       0.597   4.467  18.536  1.00  5.78           H  
HETATM  101 3HB2 AIB A   7       0.004   5.917  18.602  1.00  5.78           H  
HETATM  102  N   AIB A   8       3.889   6.488  19.271  1.00  3.00           N  
HETATM  103  CA  AIB A   8       4.990   6.981  18.418  1.00  3.19           C  
HETATM  104  C   AIB A   8       5.268   5.930  17.327  1.00  2.64           C  
HETATM  105  O1  AIB A   8       5.406   6.244  16.147  1.00  3.17           O  
HETATM  106  CB1 AIB A   8       6.237   7.099  19.292  1.00  4.47           C  
HETATM  107  CB2 AIB A   8       4.653   8.319  17.785  1.00  4.67           C  
HETATM  108 1HN  AIB A   8       4.025   6.408  20.116  1.00  3.60           H  
HETATM  109 1HB1 AIB A   8       6.084   7.749  19.982  1.00  6.71           H  
HETATM  110 2HB1 AIB A   8       6.982   7.375  18.752  1.00  6.71           H  
HETATM  111 3HB1 AIB A   8       6.430   6.248  19.692  1.00  6.71           H  
HETATM  112 1HB2 AIB A   8       4.475   8.963  18.474  1.00  7.00           H  
HETATM  113 2HB2 AIB A   8       3.877   8.222  17.228  1.00  7.00           H  
HETATM  114 3HB2 AIB A   8       5.394   8.617  17.252  1.00  7.00           H  
HETATM  115  N   AIB A   9       5.413   4.676  17.745  1.00  2.59           N  
HETATM  116  CA  AIB A   9       5.781   3.592  16.841  1.00  2.61           C  
HETATM  117  C   AIB A   9       4.821   3.595  15.642  1.00  2.31           C  
HETATM  118  O1  AIB A   9       5.232   3.442  14.479  1.00  2.62           O  
HETATM  119  CB1 AIB A   9       5.614   2.270  17.552  1.00  3.26           C  
HETATM  120  CB2 AIB A   9       7.238   3.752  16.396  1.00  3.67           C  
HETATM  121 1HN  AIB A   9       5.286   4.498  18.577  1.00  3.10           H  
HETATM  122 1HB1 AIB A   9       6.205   2.236  18.308  1.00  4.89           H  
HETATM  123 2HB1 AIB A   9       5.823   1.553  16.949  1.00  4.89           H  
HETATM  124 3HB1 AIB A   9       4.706   2.180  17.852  1.00  4.89           H  
HETATM  125 1HB2 AIB A   9       7.343   4.590  15.940  1.00  5.50           H  
HETATM  126 2HB2 AIB A   9       7.472   3.034  15.803  1.00  5.50           H  
HETATM  127 3HB2 AIB A   9       7.811   3.731  17.165  1.00  5.50           H  
ATOM    128  N   ALA A  10       3.531   3.733  15.931  1.00  2.25           N  
ATOM    129  CA  ALA A  10       2.505   3.600  14.917  1.00  2.40           C  
ATOM    130  C   ALA A  10       2.646   4.596  13.773  1.00  2.26           C  
ATOM    131  O   ALA A  10       2.183   4.311  12.663  1.00  3.35           O  
ATOM    132  CB  ALA A  10       1.137   3.749  15.548  1.00  2.59           C  
ATOM    133  H   ALA A  10       3.300   3.905  16.741  1.00  2.70           H  
ATOM    134  HA  ALA A  10       2.567   2.698  14.541  1.00  2.88           H  
ATOM    135 1HB  ALA A  10       1.047   3.120  16.268  1.00  3.89           H  
ATOM    136 2HB  ALA A  10       0.460   3.580  14.889  1.00  3.89           H  
ATOM    137 3HB  ALA A  10       1.037   4.641  15.888  1.00  3.89           H  
ATOM    138  N   ALA A  11       3.212   5.766  14.062  1.00  2.35           N  
ATOM    139  CA  ALA A  11       3.403   6.807  13.077  1.00  2.76           C  
ATOM    140  C   ALA A  11       4.696   6.680  12.283  1.00  2.40           C  
ATOM    141  O   ALA A  11       4.809   7.265  11.199  1.00  2.65           O  
ATOM    142  CB  ALA A  11       3.367   8.173  13.770  1.00  4.43           C  
ATOM    143  H   ALA A  11       3.475   5.908  14.868  1.00  2.82           H  
ATOM    144  HA  ALA A  11       2.655   6.768  12.446  1.00  3.31           H  
ATOM    145 1HB  ALA A  11       2.548   8.260  14.263  1.00  6.65           H  
ATOM    146 2HB  ALA A  11       3.419   8.868  13.110  1.00  6.65           H  
ATOM    147 3HB  ALA A  11       4.112   8.246  14.372  1.00  6.65           H  
HETATM  148  N   AIB A  12       5.686   5.983  12.827  1.00  2.46           N  
HETATM  149  CA  AIB A  12       7.012   5.903  12.210  1.00  2.65           C  
HETATM  150  C   AIB A  12       6.946   5.524  10.722  1.00  2.13           C  
HETATM  151  O1  AIB A  12       7.783   6.007   9.957  1.00  2.72           O  
HETATM  152  CB1 AIB A  12       7.837   4.827  12.930  1.00  3.56           C  
HETATM  153  CB2 AIB A  12       7.740   7.248  12.382  1.00  3.54           C  
HETATM  154 1HN  AIB A  12       5.545   5.565  13.566  1.00  2.95           H  
HETATM  155 1HB1 AIB A  12       7.897   5.042  13.864  1.00  5.33           H  
HETATM  156 2HB1 AIB A  12       8.719   4.794  12.553  1.00  5.33           H  
HETATM  157 3HB1 AIB A  12       7.411   3.974  12.825  1.00  5.33           H  
HETATM  158 1HB2 AIB A  12       7.776   7.476  13.314  1.00  5.31           H  
HETATM  159 2HB2 AIB A  12       7.267   7.932  11.903  1.00  5.31           H  
HETATM  160 3HB2 AIB A  12       8.633   7.175  12.036  1.00  5.31           H  
ATOM    161  N   PRO A  13       6.028   4.641  10.284  1.00  2.16           N  
ATOM    162  CA  PRO A  13       6.019   4.313   8.862  1.00  2.29           C  
ATOM    163  C   PRO A  13       5.829   5.479   7.910  1.00  1.95           C  
ATOM    164  O   PRO A  13       6.184   5.350   6.746  1.00  2.66           O  
ATOM    165  CB  PRO A  13       4.898   3.301   8.724  1.00  3.13           C  
ATOM    166  CG  PRO A  13       4.835   2.643  10.089  1.00  3.36           C  
ATOM    167  CD  PRO A  13       5.056   3.819  11.034  1.00  2.88           C  
ATOM    168  HA  PRO A  13       6.865   3.869   8.642  1.00  2.75           H  
ATOM    169 1HB  PRO A  13       4.059   3.739   8.510  1.00  3.75           H  
ATOM    170 2HB  PRO A  13       5.100   2.650   8.033  1.00  3.75           H  
ATOM    171 1HG  PRO A  13       3.971   2.228  10.239  1.00  4.03           H  
ATOM    172 2HG  PRO A  13       5.531   1.975  10.190  1.00  4.03           H  
ATOM    173 1HD  PRO A  13       4.231   4.304  11.193  1.00  3.46           H  
ATOM    174 2HD  PRO A  13       5.423   3.526  11.883  1.00  3.46           H  
ATOM    175  N   LEU A  14       5.234   6.586   8.374  1.00  2.15           N  
ATOM    176  CA  LEU A  14       5.143   7.750   7.481  1.00  2.06           C  
ATOM    177  C   LEU A  14       6.538   8.278   7.162  1.00  2.15           C  
ATOM    178  O   LEU A  14       6.909   8.458   6.001  1.00  2.82           O  
ATOM    179  CB  LEU A  14       4.260   8.820   8.099  1.00  2.47           C  
ATOM    180  CG  LEU A  14       4.275  10.145   7.357  1.00  2.69           C  
ATOM    181  CD1 LEU A  14       3.887   9.997   5.908  1.00  3.46           C  
ATOM    182  CD2 LEU A  14       3.352  11.125   8.070  1.00  4.01           C  
ATOM    183  H   LEU A  14       4.915   6.614   9.172  1.00  2.58           H  
ATOM    184  HA  LEU A  14       4.729   7.459   6.642  1.00  2.48           H  
ATOM    185 1HB  LEU A  14       3.348   8.491   8.129  1.00  2.97           H  
ATOM    186 2HB  LEU A  14       4.548   8.972   9.012  1.00  2.97           H  
ATOM    187  HG  LEU A  14       5.186  10.504   7.392  1.00  3.23           H  
ATOM    188 1HD1 LEU A  14       3.911  10.857   5.481  1.00  5.19           H  
ATOM    189 2HD1 LEU A  14       2.999   9.636   5.850  1.00  5.19           H  
ATOM    190 3HD1 LEU A  14       4.502   9.405   5.471  1.00  5.19           H  
ATOM    191 1HD2 LEU A  14       3.357  11.965   7.605  1.00  6.01           H  
ATOM    192 2HD2 LEU A  14       3.658  11.256   8.970  1.00  6.01           H  
ATOM    193 3HD2 LEU A  14       2.459  10.772   8.083  1.00  6.01           H  
HETATM  194  N   AIB A  15       7.312   8.570   8.218  1.00  2.41           N  
HETATM  195  CA  AIB A  15       8.675   9.099   8.040  1.00  2.50           C  
HETATM  196  C   AIB A  15       9.473   8.161   7.153  1.00  2.21           C  
HETATM  197  O1  AIB A  15      10.257   8.581   6.291  1.00  2.97           O  
HETATM  198  CB1 AIB A  15       9.341   9.108   9.441  1.00  3.61           C  
HETATM  199  CB2 AIB A  15       8.625  10.514   7.472  1.00  3.74           C  
HETATM  200 1HN  AIB A  15       7.008   8.446   9.012  1.00  2.89           H  
HETATM  201 1HB1 AIB A  15       8.848   9.689  10.026  1.00  5.41           H  
HETATM  202 2HB1 AIB A  15      10.244   9.423   9.364  1.00  5.41           H  
HETATM  203 3HB1 AIB A  15       9.341   8.218   9.801  1.00  5.41           H  
HETATM  204 1HB2 AIB A  15       8.116  11.077   8.060  1.00  5.61           H  
HETATM  205 2HB2 AIB A  15       8.210  10.497   6.606  1.00  5.61           H  
HETATM  206 3HB2 AIB A  15       9.517  10.859   7.392  1.00  5.61           H  
HETATM  207  N   AIB A  16       9.307   6.856   7.376  1.00  1.94           N  
HETATM  208  CA  AIB A  16      10.083   5.799   6.708  1.00  2.35           C  
HETATM  209  C   AIB A  16       9.939   5.907   5.183  1.00  2.33           C  
HETATM  210  O1  AIB A  16      10.836   5.553   4.440  1.00  3.18           O  
HETATM  211  CB1 AIB A  16       9.492   4.457   7.106  1.00  2.87           C  
HETATM  212  CB2 AIB A  16      11.551   5.890   7.113  1.00  3.11           C  
HETATM  213 1HN  AIB A  16       8.708   6.618   7.946  1.00  2.33           H  
HETATM  214 1HB1 AIB A  16       8.568   4.425   6.848  1.00  4.31           H  
HETATM  215 2HB1 AIB A  16       9.563   4.346   8.057  1.00  4.31           H  
HETATM  216 3HB1 AIB A  16       9.972   3.753   6.665  1.00  4.31           H  
HETATM  217 1HB2 AIB A  16      11.903   6.745   6.853  1.00  4.67           H  
HETATM  218 2HB2 AIB A  16      12.047   5.194   6.677  1.00  4.67           H  
HETATM  219 3HB2 AIB A  16      11.628   5.789   8.065  1.00  4.67           H  
ATOM    220  N   GLN A  17       8.775   6.360   4.719  1.00  2.58           N  
ATOM    221  CA  GLN A  17       8.456   6.403   3.298  1.00  3.03           C  
ATOM    222  C   GLN A  17       9.072   7.597   2.576  1.00  3.73           C  
ATOM    223  O   GLN A  17       8.858   7.704   1.353  1.00  5.50           O  
ATOM    224  CB  GLN A  17       6.937   6.336   3.119  1.00  3.15           C  
ATOM    225  CG  GLN A  17       6.400   4.963   3.448  1.00  3.23           C  
ATOM    226  CD  GLN A  17       4.911   4.959   3.385  1.00  3.97           C  
ATOM    227  OE1 GLN A  17       4.223   5.059   4.501  1.00  5.41           O  
ATOM    228  NE2 GLN A  17       4.325   4.898   2.266  1.00  5.05           N  
ATOM    229  H   GLN A  17       8.187   6.638   5.281  1.00  3.10           H  
ATOM    230  HA  GLN A  17       8.831   5.594   2.892  1.00  3.64           H  
ATOM    231 1HB  GLN A  17       6.516   6.992   3.697  1.00  3.78           H  
ATOM    232 2HB  GLN A  17       6.711   6.558   2.202  1.00  3.78           H  
ATOM    233 1HG  GLN A  17       6.754   4.316   2.817  1.00  3.87           H  
ATOM    234 2HG  GLN A  17       6.689   4.705   4.337  1.00  3.87           H  
ATOM    235 1HE2 GLN A  17       3.466   4.921   2.228  1.00  6.06           H  
ATOM    236 2HE2 GLN A  17       4.786   4.833   1.542  1.00  6.06           H  
HETATM  237  N   VOL A  18       9.817   8.445   3.235  1.00  4.24           N  
HETATM  238  CA  VOL A  18      10.698   9.460   2.757  1.00  5.22           C  
HETATM  239  CB  VOL A  18      10.418  10.769   3.317  1.00  7.10           C  
HETATM  240  CG1 VOL A  18      11.211  11.932   2.739  1.00 13.45           C  
HETATM  241  CG2 VOL A  18       8.947  11.146   3.384  1.00  9.44           C  
HETATM  242  CH2 VOL A  18      12.073   9.008   2.495  1.00  7.68           C  
HETATM  243  OH  VOL A  18      12.288   7.848   1.824  1.00 11.35           O  
HETATM  244 1HN  VOL A  18       9.767   8.382   4.091  1.00  5.09           H  
HETATM  245  HA  VOL A  18      10.366   9.576   1.842  1.00  6.27           H  
HETATM  246  HB  VOL A  18      10.705  10.708   4.253  1.00  8.51           H  
HETATM  247  HG1 VOL A  18      11.026  12.727   3.243  1.00 20.18           H  
HETATM  248  HG2 VOL A  18      10.958  12.067   1.823  1.00 20.18           H  
HETATM  249  HG3 VOL A  18      12.149  11.734   2.786  1.00 20.18           H  
HETATM  250  HH1 VOL A  18      12.521   9.714   2.003  1.00  9.22           H  
HETATM  251  HH2 VOL A  18      12.521   8.934   3.352  1.00  9.22           H  
HETATM  252  HH  VOL A  18      11.847   7.248   2.168  1.00 17.02           H  
HETATM  253  H21 VOL A  18       8.852  11.982   3.847  1.00 14.16           H  
HETATM  254  H22 VOL A  18       8.462  10.464   3.854  1.00 14.16           H  
HETATM  255  H23 VOL A  18       8.597  11.232   2.494  1.00 14.16           H  
TER     256      VOL A  18                                                      
HETATM  257  C   ACE B   0      -2.121  -0.306  -9.164  1.00  6.88           C  
HETATM  258  O   ACE B   0      -2.236  -0.570  -7.947  1.00  7.69           O  
HETATM  259  CH3 ACE B   0      -3.377  -0.348 -10.058  1.00  8.81           C  
HETATM  260 1H   ACE B   0      -3.137  -0.116 -10.958  1.00 13.22           H  
HETATM  261 2H   ACE B   0      -4.026   0.279  -9.729  1.00 13.22           H  
HETATM  262 3H   ACE B   0      -3.751  -1.232 -10.045  1.00 13.22           H  
HETATM  263  N   AIB B   1      -1.019  -0.007  -9.716  1.00  6.40           N  
HETATM  264  CA  AIB B   1       0.239  -0.001  -8.996  1.00  5.87           C  
HETATM  265  C   AIB B   1       0.076   0.904  -7.759  1.00  4.95           C  
HETATM  266  O1  AIB B   1       0.403   0.503  -6.628  1.00  6.60           O  
HETATM  267  CB1 AIB B   1       1.305   0.614  -9.931  1.00  9.17           C  
HETATM  268  CB2 AIB B   1       0.670  -1.404  -8.604  1.00  7.52           C  
HETATM  269 1HN  AIB B   1      -1.018   0.200 -10.550  1.00  7.68           H  
HETATM  270 1HB1 AIB B   1       1.401   0.065 -10.713  1.00 13.75           H  
HETATM  271 2HB1 AIB B   1       2.146   0.663  -9.470  1.00 13.75           H  
HETATM  272 3HB1 AIB B   1       1.032   1.497 -10.192  1.00 13.75           H  
HETATM  273 1HB2 AIB B   1       0.752  -1.946  -9.392  1.00 11.27           H  
HETATM  274 2HB2 AIB B   1       0.015  -1.788  -8.017  1.00 11.27           H  
HETATM  275 3HB2 AIB B   1       1.518  -1.364  -8.154  1.00 11.27           H  
ATOM    276  N   GLY B   2      -0.379   2.131  -7.952  1.00  4.39           N  
ATOM    277  CA  GLY B   2      -0.515   3.063  -6.852  1.00  4.35           C  
ATOM    278  C   GLY B   2      -1.602   2.663  -5.853  1.00  3.76           C  
ATOM    279  O   GLY B   2      -1.395   2.795  -4.641  1.00  4.09           O  
ATOM    280  H   GLY B   2      -0.598   2.380  -8.745  1.00  5.26           H  
ATOM    281 1HA  GLY B   2       0.333   3.126  -6.385  1.00  5.22           H  
ATOM    282 2HA  GLY B   2      -0.722   3.942  -7.207  1.00  5.22           H  
HETATM  283  N   AIB B   3      -2.717   2.165  -6.349  1.00  3.90           N  
HETATM  284  CA  AIB B   3      -3.815   1.705  -5.508  1.00  3.71           C  
HETATM  285  C   AIB B   3      -3.263   0.667  -4.518  1.00  3.47           C  
HETATM  286  O1  AIB B   3      -3.566   0.685  -3.324  1.00  3.93           O  
HETATM  287  CB1 AIB B   3      -4.844   0.998  -6.386  1.00  4.70           C  
HETATM  288  CB2 AIB B   3      -4.447   2.869  -4.759  1.00  4.76           C  
HETATM  289 1HN  AIB B   3      -2.800   2.109  -7.203  1.00  4.68           H  
HETATM  290 1HB1 AIB B   3      -4.424   0.269  -6.848  1.00  7.05           H  
HETATM  291 2HB1 AIB B   3      -5.199   1.620  -7.026  1.00  7.05           H  
HETATM  292 3HB1 AIB B   3      -5.556   0.662  -5.837  1.00  7.05           H  
HETATM  293 1HB2 AIB B   3      -4.793   3.504  -5.389  1.00  7.14           H  
HETATM  294 2HB2 AIB B   3      -3.784   3.293  -4.209  1.00  7.14           H  
HETATM  295 3HB2 AIB B   3      -5.161   2.544  -4.206  1.00  7.14           H  
ATOM    296  N   LEU B   4      -2.494  -0.297  -5.037  1.00  3.50           N  
ATOM    297  CA  LEU B   4      -1.970  -1.382  -4.201  1.00  3.67           C  
ATOM    298  C   LEU B   4      -0.890  -0.857  -3.256  1.00  3.59           C  
ATOM    299  O   LEU B   4      -0.855  -1.295  -2.084  1.00  4.31           O  
ATOM    300  CB  LEU B   4      -1.444  -2.514  -5.055  1.00  3.98           C  
ATOM    301  CG  LEU B   4      -2.536  -3.382  -5.644  1.00  4.37           C  
ATOM    302  CD1 LEU B   4      -1.946  -4.287  -6.752  1.00  7.48           C  
ATOM    303  CD2 LEU B   4      -3.204  -4.256  -4.619  1.00  6.31           C  
ATOM    304  H   LEU B   4      -2.305  -0.281  -5.876  1.00  4.21           H  
ATOM    305  HA  LEU B   4      -2.707  -1.729  -3.657  1.00  4.40           H  
ATOM    306 1HB  LEU B   4      -0.915  -2.142  -5.778  1.00  4.78           H  
ATOM    307 2HB  LEU B   4      -0.859  -3.069  -4.515  1.00  4.78           H  
ATOM    308  HG  LEU B   4      -3.214  -2.799  -6.046  1.00  5.24           H  
ATOM    309 1HD1 LEU B   4      -2.645  -4.825  -7.131  1.00 11.21           H  
ATOM    310 2HD1 LEU B   4      -1.272  -4.857  -6.374  1.00 11.21           H  
ATOM    311 3HD1 LEU B   4      -1.555  -3.740  -7.437  1.00 11.21           H  
ATOM    312 1HD2 LEU B   4      -3.891  -4.777  -5.042  1.00  9.47           H  
ATOM    313 2HD2 LEU B   4      -3.595  -3.706  -3.936  1.00  9.47           H  
ATOM    314 3HD2 LEU B   4      -2.554  -4.842  -4.225  1.00  9.47           H  
HETATM  315  N   AIB B   5      -0.022   0.013  -3.695  1.00  3.77           N  
HETATM  316  CA  AIB B   5       0.989   0.648  -2.835  1.00  3.87           C  
HETATM  317  C   AIB B   5       0.265   1.220  -1.611  1.00  3.38           C  
HETATM  318  O1  AIB B   5       0.719   1.077  -0.461  1.00  4.01           O  
HETATM  319  CB1 AIB B   5       1.611   1.824  -3.592  1.00  5.11           C  
HETATM  320  CB2 AIB B   5       2.057  -0.342  -2.417  1.00  5.70           C  
HETATM  321 1HN  AIB B   5      -0.042   0.226  -4.528  1.00  4.52           H  
HETATM  322 1HB1 AIB B   5       0.921   2.438  -3.851  1.00  7.66           H  
HETATM  323 2HB1 AIB B   5       2.061   1.498  -4.375  1.00  7.66           H  
HETATM  324 3HB1 AIB B   5       2.242   2.272  -3.024  1.00  7.66           H  
HETATM  325 1HB2 AIB B   5       2.495  -0.689  -3.198  1.00  8.54           H  
HETATM  326 2HB2 AIB B   5       1.652  -1.063  -1.930  1.00  8.54           H  
HETATM  327 3HB2 AIB B   5       2.701   0.099  -1.859  1.00  8.54           H  
ATOM    328  N   GLN B   6      -0.829   1.924  -1.855  1.00  3.50           N  
ATOM    329  CA  GLN B   6      -1.517   2.627  -0.777  1.00  3.19           C  
ATOM    330  C   GLN B   6      -2.271   1.684   0.151  1.00  2.97           C  
ATOM    331  O   GLN B   6      -2.260   1.878   1.368  1.00  3.09           O  
ATOM    332  CB  GLN B   6      -2.394   3.720  -1.347  1.00  3.57           C  
ATOM    333  CG  GLN B   6      -2.888   4.674  -0.288  1.00  4.67           C  
ATOM    334  CD  GLN B   6      -3.536   5.910  -0.813  1.00  4.65           C  
ATOM    335  OE1 GLN B   6      -3.096   6.476  -1.821  1.00  6.45           O  
ATOM    336  NE2 GLN B   6      -4.546   6.384  -0.138  1.00  5.02           N  
ATOM    337  H   GLN B   6      -1.138   1.968  -2.656  1.00  4.21           H  
ATOM    338  HA  GLN B   6      -0.828   3.067  -0.238  1.00  3.83           H  
ATOM    339 1HB  GLN B   6      -1.891   4.216  -2.012  1.00  4.28           H  
ATOM    340 2HB  GLN B   6      -3.156   3.316  -1.792  1.00  4.28           H  
ATOM    341 1HG  GLN B   6      -3.524   4.207   0.276  1.00  5.61           H  
ATOM    342 2HG  GLN B   6      -2.137   4.932   0.270  1.00  5.61           H  
ATOM    343 1HE2 GLN B   6      -4.928   7.112  -0.389  1.00  6.02           H  
ATOM    344 2HE2 GLN B   6      -4.830   5.968   0.559  1.00  6.02           H  
HETATM  345  N   AIB B   7      -2.897   0.654  -0.412  1.00  3.06           N  
HETATM  346  CA  AIB B   7      -3.560  -0.395   0.378  1.00  3.09           C  
HETATM  347  C   AIB B   7      -2.527  -0.949   1.389  1.00  3.22           C  
HETATM  348  O1  AIB B   7      -2.772  -1.015   2.589  1.00  3.82           O  
HETATM  349  CB1 AIB B   7      -3.988  -1.514  -0.585  1.00  4.13           C  
HETATM  350  CB2 AIB B   7      -4.765   0.153   1.094  1.00  4.13           C  
HETATM  351 1HN  AIB B   7      -2.914   0.600  -1.270  1.00  3.68           H  
HETATM  352 1HB1 AIB B   7      -3.215  -1.866  -1.031  1.00  6.20           H  
HETATM  353 2HB1 AIB B   7      -4.599  -1.160  -1.235  1.00  6.20           H  
HETATM  354 3HB1 AIB B   7      -4.419  -2.215  -0.090  1.00  6.20           H  
HETATM  355 1HB2 AIB B   7      -5.393   0.491   0.451  1.00  6.19           H  
HETATM  356 2HB2 AIB B   7      -4.494   0.864   1.680  1.00  6.19           H  
HETATM  357 3HB2 AIB B   7      -5.178  -0.545   1.607  1.00  6.19           H  
HETATM  358  N   AIB B   8      -1.367  -1.347   0.864  1.00  3.32           N  
HETATM  359  CA  AIB B   8      -0.305  -1.957   1.687  1.00  3.85           C  
HETATM  360  C   AIB B   8       0.116  -0.960   2.775  1.00  3.31           C  
HETATM  361  O1  AIB B   8       0.270  -1.330   3.953  1.00  3.87           O  
HETATM  362  CB1 AIB B   8       0.896  -2.223   0.789  1.00  4.72           C  
HETATM  363  CB2 AIB B   8      -0.812  -3.273   2.298  1.00  5.05           C  
HETATM  364 1HN  AIB B   8      -1.234  -1.244   0.020  1.00  3.98           H  
HETATM  365 1HB1 AIB B   8       1.208  -1.394   0.417  1.00  7.07           H  
HETATM  366 2HB1 AIB B   8       0.640  -2.815   0.078  1.00  7.07           H  
HETATM  367 3HB1 AIB B   8       1.598  -2.627   1.305  1.00  7.07           H  
HETATM  368 1HB2 AIB B   8      -1.569  -3.094   2.860  1.00  7.58           H  
HETATM  369 2HB2 AIB B   8      -0.113  -3.673   2.821  1.00  7.58           H  
HETATM  370 3HB2 AIB B   8      -1.070  -3.874   1.595  1.00  7.58           H  
HETATM  371  N   AIB B   9       0.331   0.276   2.400  1.00  3.02           N  
HETATM  372  CA  AIB B   9       0.832   1.327   3.298  1.00  2.90           C  
HETATM  373  C   AIB B   9      -0.096   1.391   4.525  1.00  2.42           C  
HETATM  374  O1  AIB B   9       0.373   1.569   5.656  1.00  2.67           O  
HETATM  375  CB1 AIB B   9       0.768   2.664   2.596  1.00  3.84           C  
HETATM  376  CB2 AIB B   9       2.267   1.042   3.731  1.00  4.36           C  
HETATM  377 1HN  AIB B   9       0.170   0.486   1.582  1.00  3.62           H  
HETATM  378 1HB1 AIB B   9       1.341   2.649   1.825  1.00  5.77           H  
HETATM  379 2HB1 AIB B   9       1.058   3.355   3.196  1.00  5.77           H  
HETATM  380 3HB1 AIB B   9      -0.135   2.838   2.319  1.00  5.77           H  
HETATM  381 1HB2 AIB B   9       2.832   0.999   2.956  1.00  6.55           H  
HETATM  382 2HB2 AIB B   9       2.300   0.203   4.197  1.00  6.55           H  
HETATM  383 3HB2 AIB B   9       2.572   1.743   4.311  1.00  6.55           H  
ATOM    384  N   ALA B  10      -1.394   1.296   4.301  1.00  2.63           N  
ATOM    385  CA  ALA B  10      -2.358   1.441   5.373  1.00  2.72           C  
ATOM    386  C   ALA B  10      -2.181   0.403   6.487  1.00  2.70           C  
ATOM    387  O   ALA B  10      -2.645   0.629   7.598  1.00  3.78           O  
ATOM    388  CB  ALA B  10      -3.763   1.360   4.806  1.00  3.40           C  
ATOM    389  H   ALA B  10      -1.673   1.145   3.502  1.00  3.16           H  
ATOM    390  HA  ALA B  10      -2.241   2.331   5.767  1.00  3.27           H  
ATOM    391 1HB  ALA B  10      -3.865   2.013   4.110  1.00  5.10           H  
ATOM    392 2HB  ALA B  10      -4.400   1.533   5.503  1.00  5.10           H  
ATOM    393 3HB  ALA B  10      -3.912   0.483   4.445  1.00  5.10           H  
ATOM    394  N   ALA B  11      -1.563  -0.747   6.155  1.00  2.64           N  
ATOM    395  CA  ALA B  11      -1.283  -1.787   7.123  1.00  3.24           C  
ATOM    396  C   ALA B  11      -0.046  -1.550   7.973  1.00  2.63           C  
ATOM    397  O   ALA B  11       0.118  -2.195   9.004  1.00  3.25           O  
ATOM    398  CB  ALA B  11      -1.100  -3.117   6.385  1.00  4.44           C  
ATOM    399  H   ALA B  11      -1.326  -0.868   5.337  1.00  3.16           H  
ATOM    400  HA  ALA B  11      -2.056  -1.869   7.720  1.00  3.88           H  
ATOM    401 1HB  ALA B  11      -1.873  -3.292   5.844  1.00  6.66           H  
ATOM    402 2HB  ALA B  11      -0.989  -3.825   7.023  1.00  6.66           H  
ATOM    403 3HB  ALA B  11      -0.322  -3.068   5.824  1.00  6.66           H  
HETATM  404  N   AIB B  12       0.840  -0.679   7.509  1.00  2.72           N  
HETATM  405  CA  AIB B  12       2.180  -0.557   8.099  1.00  2.88           C  
HETATM  406  C   AIB B  12       2.079  -0.285   9.629  1.00  2.28           C  
HETATM  407  O1  AIB B  12       2.944  -0.777  10.373  1.00  2.80           O  
HETATM  408  CB1 AIB B  12       2.895   0.642   7.485  1.00  4.02           C  
HETATM  409  CB2 AIB B  12       2.970  -1.840   7.863  1.00  4.32           C  
HETATM  410 1HN  AIB B  12       0.626  -0.174   6.847  1.00  3.26           H  
HETATM  411 1HB1 AIB B  12       2.379   1.437   7.640  1.00  6.04           H  
HETATM  412 2HB1 AIB B  12       2.995   0.506   6.540  1.00  6.04           H  
HETATM  413 3HB1 AIB B  12       3.761   0.739   7.887  1.00  6.04           H  
HETATM  414 1HB2 AIB B  12       2.499  -2.582   8.249  1.00  6.47           H  
HETATM  415 2HB2 AIB B  12       3.835  -1.763   8.273  1.00  6.47           H  
HETATM  416 3HB2 AIB B  12       3.075  -1.983   6.920  1.00  6.47           H  
ATOM    417  N   PRO B  13       1.130   0.507  10.123  1.00  2.31           N  
ATOM    418  CA  PRO B  13       1.127   0.778  11.586  1.00  2.41           C  
ATOM    419  C   PRO B  13       0.937  -0.450  12.433  1.00  2.01           C  
ATOM    420  O   PRO B  13       1.296  -0.416  13.629  1.00  2.59           O  
ATOM    421  CB  PRO B  13      -0.038   1.752  11.763  1.00  3.20           C  
ATOM    422  CG  PRO B  13      -0.114   2.459  10.429  1.00  3.50           C  
ATOM    423  CD  PRO B  13       0.112   1.328   9.442  1.00  3.11           C  
ATOM    424  HA  PRO B  13       1.965   1.222  11.837  1.00  2.90           H  
ATOM    425 1HB  PRO B  13      -0.862   1.279  11.955  1.00  3.84           H  
ATOM    426 2HB  PRO B  13       0.140   2.381  12.481  1.00  3.84           H  
ATOM    427 1HG  PRO B  13      -0.983   2.870  10.298  1.00  4.20           H  
ATOM    428 2HG  PRO B  13       0.574   3.137  10.350  1.00  4.20           H  
ATOM    429 1HD  PRO B  13      -0.703   0.824   9.292  1.00  3.73           H  
ATOM    430 2HD  PRO B  13       0.441   1.662   8.593  1.00  3.73           H  
ATOM    431  N   LEU B  14       0.368  -1.531  11.901  1.00  2.03           N  
ATOM    432  CA  LEU B  14       0.270  -2.780  12.642  1.00  2.33           C  
ATOM    433  C   LEU B  14       1.670  -3.312  12.977  1.00  2.38           C  
ATOM    434  O   LEU B  14       2.008  -3.580  14.122  1.00  3.06           O  
ATOM    435  CB  LEU B  14      -0.539  -3.798  11.847  1.00  2.77           C  
ATOM    436  CG  LEU B  14      -0.493  -5.217  12.349  1.00  3.50           C  
ATOM    437  CD1 LEU B  14      -1.052  -5.373  13.758  1.00  4.94           C  
ATOM    438  CD2 LEU B  14      -1.247  -6.101  11.363  1.00  4.61           C  
ATOM    439  H   LEU B  14       0.051  -1.489  11.102  1.00  2.44           H  
ATOM    440  HA  LEU B  14      -0.201  -2.603  13.483  1.00  2.79           H  
ATOM    441 1HB  LEU B  14      -1.465  -3.510  11.836  1.00  3.33           H  
ATOM    442 2HB  LEU B  14      -0.222  -3.790  10.930  1.00  3.33           H  
ATOM    443  HG  LEU B  14       0.444  -5.505  12.361  1.00  4.20           H  
ATOM    444 1HD1 LEU B  14      -0.997  -6.294  14.024  1.00  7.42           H  
ATOM    445 2HD1 LEU B  14      -1.970  -5.092  13.771  1.00  7.42           H  
ATOM    446 3HD1 LEU B  14      -0.543  -4.833  14.366  1.00  7.42           H  
ATOM    447 1HD2 LEU B  14      -0.880  -5.984  10.484  1.00  6.91           H  
ATOM    448 2HD2 LEU B  14      -2.175  -5.855  11.358  1.00  6.91           H  
ATOM    449 3HD2 LEU B  14      -1.161  -7.020  11.627  1.00  6.91           H  
HETATM  450  N   AIB B  15       2.470  -3.500  11.922  1.00  2.90           N  
HETATM  451  CA  AIB B  15       3.823  -4.002  12.073  1.00  2.89           C  
HETATM  452  C   AIB B  15       4.596  -3.095  13.060  1.00  2.49           C  
HETATM  453  O1  AIB B  15       5.337  -3.550  13.927  1.00  3.28           O  
HETATM  454  CB1 AIB B  15       4.522  -3.883  10.718  1.00  4.21           C  
HETATM  455  CB2 AIB B  15       3.829  -5.443  12.566  1.00  4.18           C  
HETATM  456 1HN  AIB B  15       2.176  -3.319  11.134  1.00  3.48           H  
HETATM  457 1HB1 AIB B  15       4.505  -2.968  10.429  1.00  6.31           H  
HETATM  458 2HB1 AIB B  15       4.066  -4.431  10.074  1.00  6.31           H  
HETATM  459 3HB1 AIB B  15       5.432  -4.177  10.800  1.00  6.31           H  
HETATM  460 1HB2 AIB B  15       3.386  -5.492  13.416  1.00  6.27           H  
HETATM  461 2HB2 AIB B  15       4.736  -5.745  12.660  1.00  6.27           H  
HETATM  462 3HB2 AIB B  15       3.371  -6.000  11.933  1.00  6.27           H  
HETATM  463  N   AIB B  16       4.442  -1.799  12.871  1.00  2.28           N  
HETATM  464  CA  AIB B  16       5.218  -0.788  13.603  1.00  2.37           C  
HETATM  465  C   AIB B  16       5.000  -0.971  15.111  1.00  2.19           C  
HETATM  466  O1  AIB B  16       5.919  -0.795  15.906  1.00  2.97           O  
HETATM  467  CB1 AIB B  16       4.688   0.593  13.211  1.00  3.17           C  
HETATM  468  CB2 AIB B  16       6.691  -0.890  13.250  1.00  3.43           C  
HETATM  469 1HN  AIB B  16       3.862  -1.534  12.295  1.00  2.73           H  
HETATM  470 1HB1 AIB B  16       4.812   0.727  12.269  1.00  4.75           H  
HETATM  471 2HB1 AIB B  16       5.167   1.269  13.696  1.00  4.75           H  
HETATM  472 3HB1 AIB B  16       3.753   0.649  13.422  1.00  4.75           H  
HETATM  473 1HB2 AIB B  16       6.803  -0.776  12.304  1.00  5.15           H  
HETATM  474 2HB2 AIB B  16       7.023  -1.753  13.510  1.00  5.15           H  
HETATM  475 3HB2 AIB B  16       7.180  -0.207  13.715  1.00  5.15           H  
ATOM    476  N   GLN B  17       3.753  -1.238  15.502  1.00  2.23           N  
ATOM    477  CA  GLN B  17       3.411  -1.336  16.916  1.00  2.55           C  
ATOM    478  C   GLN B  17       3.745  -2.694  17.524  1.00  3.25           C  
ATOM    479  O   GLN B  17       4.036  -2.739  18.728  1.00  5.24           O  
ATOM    480  CB  GLN B  17       1.922  -1.105  17.119  1.00  2.45           C  
ATOM    481  CG  GLN B  17       1.468   0.309  16.826  1.00  2.65           C  
ATOM    482  CD  GLN B  17      -0.026   0.379  16.964  1.00  3.08           C  
ATOM    483  OE1 GLN B  17      -0.727   0.097  15.857  1.00  5.26           O  
ATOM    484  NE2 GLN B  17      -0.563   0.634  18.027  1.00  3.74           N  
ATOM    485  H   GLN B  17       3.140  -1.355  14.910  1.00  2.68           H  
ATOM    486  HA  GLN B  17       3.904  -0.645  17.405  1.00  3.06           H  
ATOM    487 1HB  GLN B  17       1.432  -1.714  16.545  1.00  2.94           H  
ATOM    488 2HB  GLN B  17       1.696  -1.320  18.037  1.00  2.94           H  
ATOM    489 1HG  GLN B  17       1.886   0.926  17.447  1.00  3.18           H  
ATOM    490 2HG  GLN B  17       1.728   0.560  15.926  1.00  3.18           H  
ATOM    491 1HE2 GLN B  17      -1.421   0.639  18.085  1.00  4.49           H  
ATOM    492 2HE2 GLN B  17      -0.084   0.811  18.719  1.00  4.49           H  
HETATM  493  N   VOL B  18       3.607  -3.766  16.772  1.00  4.39           N  
HETATM  494  CA  VOL B  18       3.812  -5.142  17.125  1.00  6.04           C  
HETATM  495  CB  VOL B  18       2.642  -6.010  16.840  1.00 11.39           C  
HETATM  496  CG1 VOL B  18       2.862  -7.497  17.187  1.00 16.46           C  
HETATM  497  CG2 VOL B  18       1.264  -5.561  17.109  1.00 12.65           C  
HETATM  498  CH2 VOL B  18       5.125  -5.587  17.040  1.00 10.00           C  
HETATM  499  OH  VOL B  18       5.441  -5.819  15.698  1.00  9.46           O  
HETATM  500 1HN  VOL B  18       3.362  -3.622  15.960  1.00  5.27           H  
HETATM  501  HA  VOL B  18       3.728  -5.073  18.099  1.00  7.25           H  
HETATM  502  HB  VOL B  18       2.651  -6.035  15.861  1.00 13.67           H  
HETATM  503  HG1 VOL B  18       3.758  -7.750  16.953  1.00 24.68           H  
HETATM  504  HG2 VOL B  18       2.238  -8.036  16.696  1.00 24.68           H  
HETATM  505  HG3 VOL B  18       2.728  -7.629  18.128  1.00 24.68           H  
HETATM  506  HH1 VOL B  18       5.230  -6.406  17.550  1.00 12.00           H  
HETATM  507  HH2 VOL B  18       5.725  -4.920  17.409  1.00 12.00           H  
HETATM  508  HH  VOL B  18       5.421  -5.111  15.286  1.00 14.19           H  
HETATM  509  H21 VOL B  18       1.150  -4.665  16.783  1.00 18.97           H  
HETATM  510  H22 VOL B  18       1.100  -5.581  18.055  1.00 18.97           H  
HETATM  511  H23 VOL B  18       0.644  -6.144  16.665  1.00 18.97           H  
TER     512      VOL B  18                                                      
HETATM  513  N   CCN    11       2.307   3.949  -0.604  1.00 31.89           N  
HETATM  514  C1  CCN    11       1.403   4.712  -1.201  1.00 46.02           C  
HETATM  515  C2  CCN    11       0.357   5.444  -0.468  1.00 28.84           C  
HETATM  516 1H2  CCN    11      -0.364   5.656  -1.065  1.00 43.26           H  
HETATM  517 2H2  CCN    11       0.725   6.254  -0.109  1.00 43.26           H  
HETATM  518 3H2  CCN    11       0.027   4.897   0.250  1.00 43.26           H  
HETATM  519  N   CCN    12      -1.123  -3.517  18.798  1.00 61.54           N  
HETATM  520  C1  CCN    12      -1.697  -2.879  17.827  1.00 66.55           C  
HETATM  521  C2  CCN    12      -2.053  -3.611  16.639  1.00 62.07           C  
HETATM  522 1H2  CCN    12      -2.369  -3.000  15.969  1.00 93.11           H  
HETATM  523 2H2  CCN    12      -2.745  -4.242  16.848  1.00 93.11           H  
HETATM  524 3H2  CCN    12      -1.282  -4.078  16.309  1.00 93.11           H  
HETATM  525  O   HOH     1      11.425   5.816   1.769  1.00 26.98           O  
HETATM  526  O   HOH     2      -0.290   3.415 -10.639  1.00 11.24           O  
HETATM  527  O   HOH     3      -3.527  -0.705   9.881  1.00 12.64           O  
HETATM  528  O   HOH     4      -2.267   1.105  20.292  1.00 31.59           O  
HETATM  529  O   HOH     5      10.721   5.742  10.425  1.00 15.87           O  
CONECT    1    2    3                                                           
CONECT    2    1                                                                
CONECT    3    1    4    5    6                                                 
CONECT    4    3                                                                
CONECT    5    3                                                                
CONECT    6    3                                                                
CONECT    7    8   13                                                           
CONECT    8    7    9   11   12                                                 
CONECT    9    8   10                                                           
CONECT   10    9                                                                
CONECT   11    8   14   15   16                                                 
CONECT   12    8   17   18   19                                                 
CONECT   13    7                                                                
CONECT   14   11                                                                
CONECT   15   11                                                                
CONECT   16   11                                                                
CONECT   17   12                                                                
CONECT   18   12                                                                
CONECT   19   12                                                                
CONECT   27   28   33                                                           
CONECT   28   27   29   31   32                                                 
CONECT   29   28   30                                                           
CONECT   30   29                                                                
CONECT   31   28   34   35   36                                                 
CONECT   32   28   37   38   39                                                 
CONECT   33   27                                                                
CONECT   34   31                                                                
CONECT   35   31                                                                
CONECT   36   31                                                                
CONECT   37   32                                                                
CONECT   38   32                                                                
CONECT   39   32                                                                
CONECT   59   60   65                                                           
CONECT   60   59   61   63   64                                                 
CONECT   61   60   62                                                           
CONECT   62   61                                                                
CONECT   63   60   66   67   68                                                 
CONECT   64   60   69   70   71                                                 
CONECT   65   59                                                                
CONECT   66   63                                                                
CONECT   67   63                                                                
CONECT   68   63                                                                
CONECT   69   64                                                                
CONECT   70   64                                                                
CONECT   71   64                                                                
CONECT   89   90   95                                                           
CONECT   90   89   91   93   94                                                 
CONECT   91   90   92                                                           
CONECT   92   91                                                                
CONECT   93   90   96   97   98                                                 
CONECT   94   90   99  100  101                                                 
CONECT   95   89                                                                
CONECT   96   93                                                                
CONECT   97   93                                                                
CONECT   98   93                                                                
CONECT   99   94                                                                
CONECT  100   94                                                                
CONECT  101   94                                                                
CONECT  102  103  108                                                           
CONECT  103  102  104  106  107                                                 
CONECT  104  103  105                                                           
CONECT  105  104                                                                
CONECT  106  103  109  110  111                                                 
CONECT  107  103  112  113  114                                                 
CONECT  108  102                                                                
CONECT  109  106                                                                
CONECT  110  106                                                                
CONECT  111  106                                                                
CONECT  112  107                                                                
CONECT  113  107                                                                
CONECT  114  107                                                                
CONECT  115  116  121                                                           
CONECT  116  115  117  119  120                                                 
CONECT  117  116  118                                                           
CONECT  118  117                                                                
CONECT  119  116  122  123  124                                                 
CONECT  120  116  125  126  127                                                 
CONECT  121  115                                                                
CONECT  122  119                                                                
CONECT  123  119                                                                
CONECT  124  119                                                                
CONECT  125  120                                                                
CONECT  126  120                                                                
CONECT  127  120                                                                
CONECT  148  149  154                                                           
CONECT  149  148  150  152  153                                                 
CONECT  150  149  151                                                           
CONECT  151  150                                                                
CONECT  152  149  155  156  157                                                 
CONECT  153  149  158  159  160                                                 
CONECT  154  148                                                                
CONECT  155  152                                                                
CONECT  156  152                                                                
CONECT  157  152                                                                
CONECT  158  153                                                                
CONECT  159  153                                                                
CONECT  160  153                                                                
CONECT  194  195  200                                                           
CONECT  195  194  196  198  199                                                 
CONECT  196  195  197                                                           
CONECT  197  196                                                                
CONECT  198  195  201  202  203                                                 
CONECT  199  195  204  205  206                                                 
CONECT  200  194                                                                
CONECT  201  198                                                                
CONECT  202  198                                                                
CONECT  203  198                                                                
CONECT  204  199                                                                
CONECT  205  199                                                                
CONECT  206  199                                                                
CONECT  207  208  213                                                           
CONECT  208  207  209  211  212                                                 
CONECT  209  208  210                                                           
CONECT  210  209                                                                
CONECT  211  208  214  215  216                                                 
CONECT  212  208  217  218  219                                                 
CONECT  213  207                                                                
CONECT  214  211                                                                
CONECT  215  211                                                                
CONECT  216  211                                                                
CONECT  217  212                                                                
CONECT  218  212                                                                
CONECT  219  212                                                                
CONECT  237  238  244                                                           
CONECT  238  237  239  242  245                                                 
CONECT  239  238  240  241  246                                                 
CONECT  240  239  247  248  249                                                 
CONECT  241  239  253  254  255                                                 
CONECT  242  238  243  250  251                                                 
CONECT  243  242  252                                                           
CONECT  244  237                                                                
CONECT  245  238                                                                
CONECT  246  239                                                                
CONECT  247  240                                                                
CONECT  248  240                                                                
CONECT  249  240                                                                
CONECT  250  242                                                                
CONECT  251  242                                                                
CONECT  252  243                                                                
CONECT  253  241                                                                
CONECT  254  241                                                                
CONECT  255  241                                                                
CONECT  257  258  259                                                           
CONECT  258  257                                                                
CONECT  259  257  260  261  262                                                 
CONECT  260  259                                                                
CONECT  261  259                                                                
CONECT  262  259                                                                
CONECT  263  264  269                                                           
CONECT  264  263  265  267  268                                                 
CONECT  265  264  266                                                           
CONECT  266  265                                                                
CONECT  267  264  270  271  272                                                 
CONECT  268  264  273  274  275                                                 
CONECT  269  263                                                                
CONECT  270  267                                                                
CONECT  271  267                                                                
CONECT  272  267                                                                
CONECT  273  268                                                                
CONECT  274  268                                                                
CONECT  275  268                                                                
CONECT  283  284  289                                                           
CONECT  284  283  285  287  288                                                 
CONECT  285  284  286                                                           
CONECT  286  285                                                                
CONECT  287  284  290  291  292                                                 
CONECT  288  284  293  294  295                                                 
CONECT  289  283                                                                
CONECT  290  287                                                                
CONECT  291  287                                                                
CONECT  292  287                                                                
CONECT  293  288                                                                
CONECT  294  288                                                                
CONECT  295  288                                                                
CONECT  315  316  321                                                           
CONECT  316  315  317  319  320                                                 
CONECT  317  316  318                                                           
CONECT  318  317                                                                
CONECT  319  316  322  323  324                                                 
CONECT  320  316  325  326  327                                                 
CONECT  321  315                                                                
CONECT  322  319                                                                
CONECT  323  319                                                                
CONECT  324  319                                                                
CONECT  325  320                                                                
CONECT  326  320                                                                
CONECT  327  320                                                                
CONECT  345  346  351                                                           
CONECT  346  345  347  349  350                                                 
CONECT  347  346  348                                                           
CONECT  348  347                                                                
CONECT  349  346  352  353  354                                                 
CONECT  350  346  355  356  357                                                 
CONECT  351  345                                                                
CONECT  352  349                                                                
CONECT  353  349                                                                
CONECT  354  349                                                                
CONECT  355  350                                                                
CONECT  356  350                                                                
CONECT  357  350                                                                
CONECT  358  359  364                                                           
CONECT  359  358  360  362  363                                                 
CONECT  360  359  361                                                           
CONECT  361  360                                                                
CONECT  362  359  365  366  367                                                 
CONECT  363  359  368  369  370                                                 
CONECT  364  358                                                                
CONECT  365  362                                                                
CONECT  366  362                                                                
CONECT  367  362                                                                
CONECT  368  363                                                                
CONECT  369  363                                                                
CONECT  370  363                                                                
CONECT  371  372  377                                                           
CONECT  372  371  373  375  376                                                 
CONECT  373  372  374                                                           
CONECT  374  373                                                                
CONECT  375  372  378  379  380                                                 
CONECT  376  372  381  382  383                                                 
CONECT  377  371                                                                
CONECT  378  375                                                                
CONECT  379  375                                                                
CONECT  380  375                                                                
CONECT  381  376                                                                
CONECT  382  376                                                                
CONECT  383  376                                                                
CONECT  404  405  410                                                           
CONECT  405  404  406  408  409                                                 
CONECT  406  405  407                                                           
CONECT  407  406                                                                
CONECT  408  405  411  412  413                                                 
CONECT  409  405  414  415  416                                                 
CONECT  410  404                                                                
CONECT  411  408                                                                
CONECT  412  408                                                                
CONECT  413  408                                                                
CONECT  414  409                                                                
CONECT  415  409                                                                
CONECT  416  409                                                                
CONECT  450  451  456                                                           
CONECT  451  450  452  454  455                                                 
CONECT  452  451  453                                                           
CONECT  453  452                                                                
CONECT  454  451  457  458  459                                                 
CONECT  455  451  460  461  462                                                 
CONECT  456  450                                                                
CONECT  457  454                                                                
CONECT  458  454                                                                
CONECT  459  454                                                                
CONECT  460  455                                                                
CONECT  461  455                                                                
CONECT  462  455                                                                
CONECT  463  464  469                                                           
CONECT  464  463  465  467  468                                                 
CONECT  465  464  466                                                           
CONECT  466  465                                                                
CONECT  467  464  470  471  472                                                 
CONECT  468  464  473  474  475                                                 
CONECT  469  463                                                                
CONECT  470  467                                                                
CONECT  471  467                                                                
CONECT  472  467                                                                
CONECT  473  468                                                                
CONECT  474  468                                                                
CONECT  475  468                                                                
CONECT  493  494  500                                                           
CONECT  494  493  495  498  501                                                 
CONECT  495  494  496  497  502                                                 
CONECT  496  495  503  504  505                                                 
CONECT  497  495  509  510  511                                                 
CONECT  498  494  499  506  507                                                 
CONECT  499  498  508                                                           
CONECT  500  493                                                                
CONECT  501  494                                                                
CONECT  502  495                                                                
CONECT  503  496                                                                
CONECT  504  496                                                                
CONECT  505  496                                                                
CONECT  506  498                                                                
CONECT  507  498                                                                
CONECT  508  499                                                                
CONECT  509  497                                                                
CONECT  510  497                                                                
CONECT  511  497                                                                
CONECT  513  514                                                                
CONECT  514  513  515                                                           
CONECT  515  514  516  517  518                                                 
CONECT  516  515                                                                
CONECT  517  515                                                                
CONECT  518  515                                                                
CONECT  519  520                                                                
CONECT  520  519  521                                                           
CONECT  521  520  522  523  524                                                 
CONECT  522  521                                                                
CONECT  523  521                                                                
CONECT  524  521                                                                
MASTER      166    0   24    0    0    0    0    6  527    2  296    4          
END                                                                             
