*HEADER   PHEROMONE                               14-FEB-94   1ERD    
*COMPND   PHEROMONE ER-2 (NMR, 20 STRUCTURES)                         
*SOURCE   (EUPLOTES RAIKOVI)                                          
*AUTHOR   M.OTTIGER,T.SZYPERSKI,P.LUGINBUHL,C.ORTENZI,P.LUPORINI,     
*AUTHOR  2 R.A.BRADSHAW,K.WUTHRICH                                    
*REVDAT  1   15-OCT-94 1ERD    0                                      

HEADER    PHEROMONE                               10-FEB-94   1ERD      
COMPND    PHEROMONE ER-2 (NMR, 20 CONFORMERS)                           
SOURCE    (EUPLOTES RAIKOVI)                                            
COORDS    1ER2                                                          
REMARK   1                                                              
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE MATING PHEROMONE  
REMARK   1 ER-2 BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY IN SOLUTION. 
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     
REMARK   1 REMARK 2 FOR THE DETAILS.                                    
REMARK   1                                                              
REMARK   1 RECORD CONTENT                                     UNIT      
REMARK   1 ------ ------------------------------------------- --------- 
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   
REMARK   1        AN ALLOWED INTERVAL                                   
REMARK   1                                                              
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       
REMARK   1 SEQUENCE) FOR THE FINAL REFINEMENT WITH OPAL IS GIVEN      
REMARK   1 IN THE RECORDS NOEUPP, AND ANGLE. COUPLING CONSTANS AND
REMARK   1 ANGLE CONSTRAINTS THAT WERE NOT USED IN THE REFINEMENT
REMARK   1 ARE NOT LISTED.                                  
REMARK   2                                                              
REMARK   2                                                              
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS.            
REMARK   2                                                              
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             
REMARK   2 ------ ----------------------------------------------------- 
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    
REMARK   2        CHEMICAL SHIFT(S)                                     
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      
REMARK   2        NAME, J-COUPLING CONSTANT                             
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  
REMARK   3                                                              
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            
REMARK   4                                                              
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             
REMARK   5                                                              
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  
REMARK   5 CZ RESPECTIVELY.                                             
SHIFTS  ASP-   1   HA   4.45        2HB   2.50        3HB   2.78        
SHIFTS  PRO    2   HA   4.34        2HB   1.79        3HB   2.27        
SHIFTS  PRO    2   QG   1.98        2HD   3.55        3HD   3.68        
SHIFTS  MET    3   HN   6.98         HA   4.29        2HB   1.30        
SHIFTS  MET    3  3HB   1.44        2HG   2.17        3HG   2.25        
SHIFTS  MET    3   QE   1.96                                            
SHIFTS  THR    4   HN   8.01         HA   4.45         HB   4.68        
SHIFTS  THR    4   QG2  1.21                                            
SHIFTS  CYSS   5   HN   9.34         HA   4.28        2HB   3.65        
SHIFTS  CYSS   5  3HB   2.87                                            
SHIFTS  GLU-   6   HN   8.98         HA   3.87        2HB   1.87        
SHIFTS  GLU-   6  3HB   2.00        2HG   2.26        3HG   2.35        
SHIFTS  GLN    7   HN   7.76         HA   3.95        2HB   2.24        
SHIFTS  GLN    7  3HB   1.88         QG   2.34        1HE2  6.77        
SHIFTS  GLN    7  2HE2  7.50                                            
SHIFTS  ALA    8   HN   8.54         HA   3.96         QB   1.53        
SHIFTS  MET    9   HN   8.44         HA   3.84        2HB   2.17        
SHIFTS  MET    9  3HB   1.93         QG   2.92         QE   2.09        
SHIFTS  ALA   10   HN   7.56         HA   4.17         QB   1.40        
SHIFTS  SER   11   HN   7.61         HA   4.16        2HB   3.98        
SHIFTS  CYSS  12   HN   7.72         HA   3.96        2HB   3.14        
SHIFTS  CYSS  12  3HB   3.44                                            
SHIFTS  GLU-  13   HN   8.01         HA   4.77         QB   1.89        
SHIFTS  GLU-  13  2HG   2.17        3HG   2.27                          
SHIFTS  HIS   14   HN   9.02         HA   4.78        2HB   2.97        
SHIFTS  HIS   14  3HB   3.15         HD2  7.38         HE1  8.59        
SHIFTS  THR   15   HN   7.73         HA   3.98         HB   4.23        
SHIFTS  THR   15   QG2  0.90                                            
SHIFTS  MET   16   HN   8.07         HA   4.83        2HB   2.35        
SHIFTS  MET   16  3HB   2.31        2HG   2.90         QE   2.06        
SHIFTS  CYSS  17   HN   7.64         HA   4.48        2HB   2.84        
SHIFTS  CYSS  17  3HB   2.88                                            
SHIFTS  GLY   18   HN   8.41        1HA   3.76        2HA   4.05        
SHIFTS  TYR   19   HN   7.45         HA   4.47        2HB   2.57        
SHIFTS  TYR   19  3HB   3.20         CG   7.50         CZ   6.94        
SHIFTS  CYSS  20   HN   8.41         HA   4.86        2HB   3.22        
SHIFTS  CYSS  20  3HB   2.80                                            
SHIFTS  GLN   21   HN   8.61         HA   4.45        2HB   2.12        
SHIFTS  GLN   21  3HB   2.02        2HG   2.37        1HE2  6.84        
SHIFTS  GLN   21  2HE2  7.49                                            
SHIFTS  GLY   22   HN   9.04        1HA   3.75        2HA   4.34        
SHIFTS  PRO   23   HA   4.45        2HB   1.99        3HB   2.43        
SHIFTS  PRO   23   QG   2.07        2HD   3.78        3HD   3.99        
SHIFTS  LEU   24   HN   7.60         HA   4.21        2HB   2.03        
SHIFTS  LEU   24  3HB   1.68         HG   1.74         QD1  1.04        
SHIFTS  LEU   24   QD2  0.88                                            
SHIFTS  TYR   25   HN   7.80         HA   3.83        2HB   3.19        
SHIFTS  TYR   25  3HB   2.95         CG   7.09         CZ   6.52        
SHIFTS  MET   26   HN   8.04         HA   4.15        2HB   2.18        
SHIFTS  MET   26  3HB   2.04        2HG   2.69        3HG   2.76        
SHIFTS  MET   26   QE   2.07                                            
SHIFTS  THR   27   HN   7.62         HA   3.93         HB   4.10        
SHIFTS  THR   27   QG2  1.22                                            
SHIFTS  CYSS  28   HN   8.45         HA   4.03        2HB   3.48        
SHIFTS  CYSS  28  3HB   3.13                                            
SHIFTS  ILE   29   HN   8.44         HA   3.46         HB   2.01        
SHIFTS  ILE   29   QG2  0.69        2HG1  0.92        3HG1  1.03        
SHIFTS  ILE   29   QD1  0.52                                            
SHIFTS  GLY   30   HN   8.13        1HA   3.63        2HA   3.91        
SHIFTS  ILE   31   HN   7.98         HA   3.92         HB   1.84        
SHIFTS  ILE   31   QG2  0.98        2HG1  1.25        3HG1  1.68        
SHIFTS  ILE   31   QD1  0.84                                            
SHIFTS  THR   32   HN   8.46         HA   4.56         HB   3.86        
SHIFTS  THR   32   QG2  1.37                                            
SHIFTS  THR   33   HN   7.54         HA   4.46         HB   4.32        
SHIFTS  THR   33   QG2  1.18                                            
SHIFTS  ASP-  34   HN   6.98         HA   4.72         QB   2.83        
SHIFTS  PRO   35   HA   4.40        2HB   1.98        3HB   2.40        
SHIFTS  PRO   35   QG   2.05        2HD   3.92        3HD   3.98        
SHIFTS  GLU-  36   HN   8.84         HA   4.39        2HB   2.37        
SHIFTS  GLU-  36  3HB   1.86        2HG   2.25        3HG   2.34        
SHIFTS  CYSS  37   HN   7.93         HA   4.26        2HB   3.49        
SHIFTS  CYSS  37  3HB   3.05                                            
SHIFTS  GLY   38   HN   9.23        1HA   3.82        2HA   4.02        
SHIFTS  LEU   39   HN   7.74         HA   4.62        2HB   1.56        
SHIFTS  LEU   39  3HB   1.71         HG   1.56         QD1  0.87        
SHIFTS  LEU   39   QD2  0.92                                            
SHIFTS  PRO   40   HA   4.23        2HB   1.86        3HB   2.19        
SHIFTS  PRO   40  2HG   1.96        2HD   3.61        3HD   3.79        
SHIFTS  CYSS  41   HN   7.88         HA   4.27        2HB   3.04        
SHIFTS  CYSS  41  3HB   3.50                                            
SHIFTS  GLY   42   HN   9.24        1HA   3.77        2HA   3.98        
SHIFTS  LEU   43   HN   7.67         HA   4.56        2HB   1.64        
SHIFTS  LEU   43  3HB   1.46         HG   1.33         QD1  0.85        
SHIFTS  LEU   43   QD2  0.88                                            
SHIFTS  PRO   44   HA   4.29        2HB   1.80        3HB   2.07        
SHIFTS  PRO   44  2HG   1.86        2HD   3.39        3HD   3.57        
JCOUPL  ASP-   1   HA  2HB   9.50    HA  3HB   3.80                     
JCOUPL  THR    4   HA   HB   2.90                                       
JCOUPL  CYSS   5   HA   HN   3.80    HA  3HB  11.30    HA  2HB   6.20   
JCOUPL  GLU-   6   HA   HN   4.00    HA  2HB   5.90    HA  3HB   9.20   
JCOUPL  GLN    7   HA   HN   5.00    HA  3HB   3.60                     
JCOUPL  ALA    8   HA   HN   5.20                                       
JCOUPL  MET    9   HA   HN   4.50    HA  3HB   4.00                     
JCOUPL  ALA   10   HA   HN   7.60                                       
JCOUPL  GLU-  13   HA   HN  10.10                                       
JCOUPL  HIS   14   HA   HN   3.90                                       
JCOUPL  THR   15   HA   HN   6.00    HA   HB   2.80                     
JCOUPL  MET   16   HA   HN   7.30                                       
JCOUPL  CYSS  17   HA   HN   2.80                                       
JCOUPL  TYR   19   HA   HN   6.60    HA  3HB   4.80                     
JCOUPL  CYSS  20   HA   HN   8.60    HA  3HB   3.50                     
JCOUPL  GLN   21   HA   HN   7.20    HA  3HB   9.00    HA  2HB   7.50   
JCOUPL  LEU   24   HA   HN   5.60    HA  3HB   4.00    HA  2HB   8.80   
JCOUPL  TYR   25   HA   HN   4.10    HA  3HB  11.20    HA  2HB   5.80   
JCOUPL  MET   26   HA   HN   5.10                                       
JCOUPL  THR   27   HA   HN   3.70    HA   HB   9.40                     
JCOUPL  CYSS  28   HA   HN   4.30    HA  3HB   6.60    HA  2HB  11.10   
JCOUPL  ILE   29   HA   HN   4.10    HA   HB  10.10                     
JCOUPL  ILE   31   HA   HN   5.90    HA   HB   9.40                     
JCOUPL  THR   32   HA   HN   5.40    HA   HB   3.20                     
JCOUPL  THR   33   HA   HN   8.70    HA   HB   3.60                     
JCOUPL  ASP-  34   HA   HN   5.00                                       
JCOUPL  GLU-  36   HA   HN   7.90                                       
JCOUPL  CYSS  37   HA   HN   3.20                                       
JCOUPL  LEU   39   HA   HN   6.70    HA  2HB   3.80    HA  3HB   8.80   
NOEUPP  ASP-   1  HA  PRO    2  QD   3.55      HA  TYR   19  CZ   7.00  
NOEUPP  ASP-   1 2HB  PRO    2 2HD   5.00     2HB  PRO    2 3HD   5.00  
NOEUPP  ASP-   1 3HB  PRO    2 2HD   5.00     3HB  PRO    2 3HD   5.00  
NOEUPP  ASP-   1  QB  PRO    2  QD   4.56                               
NOEUPP  PRO    2  HA  MET    3  HN   2.80      HA  TYR   19  CG   7.00  
NOEUPP  PRO    2  HA  TYR   19  CZ   7.00     2HB  MET    3  QG   5.88  
NOEUPP  PRO    2 2HB  TYR   19  CG   7.00     2HB  TYR   19  CZ   7.00  
NOEUPP  PRO    2 3HB  TYR   19  CZ   7.00      QG  TYR   19  CZ   8.00  
NOEUPP  PRO    2  QD  TYR   19  CZ   7.88                               
NOEUPP  MET    3  HN  MET    3 2HG   5.00      HN  MET    3 3HG   5.00  
NOEUPP  MET    3  HA  MET    3  QE   6.00      HA  THR    4  HN   2.70  
NOEUPP  MET    3  HA  THR    4  QG2  4.80      HA  GLN    7 2HB   3.50  
NOEUPP  MET    3  HA  GLN    7  QG   6.00      QB  THR    4  HA   5.50  
NOEUPP  MET    3  QB  TYR   19  CG   8.00      QB  TYR   19  CZ   8.00  
NOEUPP  MET    3  QG  THR    4  HN   4.58      QG  THR    4  HB   5.88  
NOEUPP  MET    3  QG  ALA    8  QB   6.48      QG  TYR   19  CG   7.88  
NOEUPP  MET    3  QG  TYR   19  CZ   7.88      QE  ALA    8  HN   6.00  
NOEUPP  MET    3  QE  ALA    8  HA   4.20      QE  ALA    8  QB   6.60  
NOEUPP  MET    3  QE  MET   16  QG   5.38      QE  TYR   19  CG   8.00  
NOEUPP  MET    3  QE  TYR   19  CZ   8.00                               
NOEUPP  THR    4  HN  THR    4  QG2  3.40      HN  GLN    7 3HB   5.00  
NOEUPP  THR    4  HN  GLN    7  QG   6.00      HA  THR    4  HB   2.80  
NOEUPP  THR    4  HA  THR    4  QG2  3.40      HA  CYSS   5  HN   2.70  
NOEUPP  THR    4  HA  GLU-   6  HN   4.10      HA  GLN    7  HN   5.00  
NOEUPP  THR    4  HA  ALA    8  HN   5.00      HB  CYSS   5  HN   2.90  
NOEUPP  THR    4  HB  GLU-   6  HN   3.10      HB  GLU-   6 2HB   5.00  
NOEUPP  THR    4  HB  GLU-   6 3HB   5.00      HB  GLN    7  HN   4.30  
NOEUPP  THR    4  HB  GLN    7  QG   6.00      QG2 GLN    7  QE2  5.97  
NOEUPP  CYSS   5  HN  CYSS   5 2HB   3.00      HN  CYSS   5 3HB   2.90  
NOEUPP  CYSS   5  HN  GLU-   6  HN   3.30      HN  GLN    7  HN   5.00  
NOEUPP  CYSS   5  HN  ALA    8  QB   6.00      HN  TYR   19 3HB   5.00  
NOEUPP  CYSS   5  HA  GLN    7  HN   5.00      HA  ALA    8  HN   3.60  
NOEUPP  CYSS   5  HA  ALA    8  QB   3.70      HA  MET    9  HN   4.80  
NOEUPP  CYSS   5  HA  TYR   19 2HB   5.00      HA  TYR   19 3HB   5.00  
NOEUPP  CYSS   5  HA  CYSS  20  HA   4.40     2HB  GLU-   6  HN   4.50  
NOEUPP  CYSS   5 2HB  CYSS  20  HA   3.30     2HB  GLN   21  HN   5.00  
NOEUPP  CYSS   5 2HB  LEU   24  QD1  6.00     3HB  GLU-   6  HN   3.10  
NOEUPP  CYSS   5 3HB  CYSS  20  HA   4.30     3HB  LEU   24  QD1  6.00  
NOEUPP  GLU-   6  HN  GLU-   6 2HB   3.30      HN  GLU-   6 3HB   2.90  
NOEUPP  GLU-   6  HN  GLU-   6 2HG   5.00      HN  GLU-   6 3HG   5.00  
NOEUPP  GLU-   6  HN  GLN    7  HN   3.20      HN  MET    9  QE   6.00  
NOEUPP  GLU-   6  HA  GLU-   6 2HB   3.00      HA  GLU-   6  QG   3.86  
NOEUPP  GLU-   6  HA  ALA    8  HN   5.00      HA  MET    9  HN   5.00  
NOEUPP  GLU-   6  HA  MET    9  QB   5.88      HA  MET    9  QE   4.40  
NOEUPP  GLU-   6  HA  ALA   10  HN   4.90     2HB  GLN    7  HN   5.00  
NOEUPP  GLU-   6 2HB  GLN    7 1HE2  5.00     2HB  GLN    7 2HE2  5.00  
NOEUPP  GLU-   6 2HB  ALA   10  QB   6.00     3HB  GLN    7  HN   3.60  
NOEUPP  GLU-   6  QG  GLN    7  HN   4.08      QG  ALA   10  HN   5.88  
NOEUPP  GLN    7  HN  GLN    7 2HB   2.90      HN  GLN    7  QG   4.90  
NOEUPP  GLN    7  HN  ALA    8  HN   3.10      HN  MET    9  HN   5.00  
NOEUPP  GLN    7  HN  ALA   10  QB   5.10      HA  GLN    7 3HB   2.90  
NOEUPP  GLN    7  HA  GLN    7  QG   3.40      HA  MET    9  HN   5.00  
NOEUPP  GLN    7  HA  ALA   10  HN   3.40      HA  ALA   10  QB   3.40  
NOEUPP  GLN    7 2HB  ALA    8  HN   3.40     2HB  TYR   19  CG   7.00  
NOEUPP  GLN    7 3HB  ALA    8  HN   5.00      QG  ALA    8  HN   6.00  
NOEUPP  GLN    7  QG  ALA   10  QB   7.00      QG  TYR   19  CG   8.00  
NOEUPP  ALA    8  HN  ALA    8  QB   3.40      HN  MET    9  HN   3.30  
NOEUPP  ALA    8  HA  ALA   10  HN   5.00      HA  GLU-  13  QG   5.88  
NOEUPP  ALA    8  HA  MET   16  QG   5.88      HA  TYR   19  CG   7.00  
NOEUPP  ALA    8  QB  MET    9  HN   3.40      QB  MET    9  HA   5.60  
NOEUPP  ALA    8  QB  MET    9  QG   7.00      QB  MET   16  HA   6.00  
NOEUPP  ALA    8  QB  MET   16 2HB   4.60      QB  MET   16 3HB   4.60  
NOEUPP  ALA    8  QB  MET   16  QG   6.78      QB  CYSS  17  HN   6.00  
NOEUPP  ALA    8  QB  CYSS  17  HA   4.20      QB  TYR   19  HN   4.10  
NOEUPP  ALA    8  QB  TYR   19 2HB   3.90      QB  TYR   19 3HB   5.00  
NOEUPP  ALA    8  QB  TYR   19  CG   7.60      QB  TYR   19  CZ   8.00  
NOEUPP  MET    9  HN  MET    9  HA   2.80      HN  MET    9 2HB   3.60  
NOEUPP  MET    9  HN  MET    9 3HB   3.60      HN  MET    9  QB   3.06  
NOEUPP  MET    9  HN  MET    9  QG   4.90      HN  ALA   10  HN   2.90  
NOEUPP  MET    9  HA  SER   11  HN   4.00      HA  CYSS  28  QB   5.88  
NOEUPP  MET    9  HA  ILE   31  QG2  5.30      HA  ILE   31  QD1  6.00  
NOEUPP  MET    9  HA  THR   32  HA   5.00      HA  THR   32  QG2  3.40  
NOEUPP  MET    9 2HB  ALA   10  HN   5.00     2HB  CYSS  28 2HB   6.75  
NOEUPP  MET    9 2HB  CYSS  28 3HB   6.75     2HB  ILE   31  QG2  5.50  
NOEUPP  MET    9 2HB  ILE   31  QD1  6.00     3HB  ALA   10  HN   5.00  
NOEUPP  MET    9 3HB  CYSS  28 2HB   6.75     3HB  CYSS  28 3HB   6.75  
NOEUPP  MET    9 3HB  ILE   31  QG2  5.50     3HB  ILE   31  QD1  6.00  
NOEUPP  MET    9  QB  ALA   10  HN   4.18      QB  ALA   10  HA   5.88  
NOEUPP  MET    9  QB  CYSS  12  HN   4.98      QB  CYSS  28  HA   4.18  
NOEUPP  MET    9  QB  CYSS  28  QB   5.81      QB  ILE   31  QG2  5.23  
NOEUPP  MET    9  QB  ILE   31  QD1  5.79      QB  THR   32  QG2  6.08  
NOEUPP  MET    9  QG  CYSS  28  HA   6.00      QG  ILE   31  QG2  7.00  
NOEUPP  MET    9  QG  ILE   31  QD1  7.00      QG  THR   32  QG2  7.00  
NOEUPP  MET    9  QE  CYSS  20 3HB   6.00      QE  LEU   24  HA   6.00  
NOEUPP  MET    9  QE  LEU   24  QD1  6.60      QE  LEU   24  QD2  5.80  
NOEUPP  MET    9  QE  THR   27  HB   4.90      QE  THR   27  QG2  5.10  
NOEUPP  MET    9  QE  CYSS  28  HN   3.80      QE  CYSS  28  HA   5.20  
NOEUPP  MET    9  QE  CYSS  28 2HB   6.00      QE  CYSS  28 3HB   6.00  
NOEUPP  MET    9  QE  CYSS  28  QB   5.59      QE  ILE   31  QD1  6.60  
NOEUPP  ALA   10  HN  ALA   10  QB   3.40      QB  SER   11  HN   3.40  
NOEUPP  CYSS  12  HN  GLU-  13  QB   6.00      HN  THR   32  QG2  3.50  
NOEUPP  CYSS  12  HA  THR   32  HA   2.90      QB  THR   32  HA   5.88  
NOEUPP  CYSS  12  QB  THR   32  QG2  6.88      QB  CYSS  37 2HB   5.88  
NOEUPP  CYSS  12  QB  CYSS  37 3HB   4.08                               
NOEUPP  GLU-  13  HN  GLU-  13  QG   5.88      HN  THR   32  QG2  3.50  
NOEUPP  GLU-  13  HA  GLU-  13 2HG   4.10      HA  GLU-  13 3HG   4.10  
NOEUPP  GLU-  13  HA  GLU-  13  QG   3.71      HA  HIS   14  HN   2.90  
NOEUPP  GLU-  13  HA  THR   15  HN   5.00      QB  MET   16  HN   4.80  
NOEUPP  GLU-  13  QB  MET   16  QG   6.68                               
NOEUPP  HIS   14  HN  HIS   14 2HB   3.50      HN  HIS   14 3HB   2.90  
NOEUPP  HIS   14  HN  HIS   14  HD2  4.10      HN  THR   15  HN   3.50  
NOEUPP  HIS   14  HN  THR   32  HB   3.50      HN  THR   32  QG2  6.00  
NOEUPP  HIS   14  HN  THR   33  QG2  5.80      HA  HIS   14 2HB   2.70  
NOEUPP  HIS   14  HA  HIS   14 3HB   2.70      HA  HIS   14  HD2  5.00  
NOEUPP  HIS   14  HA  THR   15  HA   5.00      HA  THR   15  QG2  6.00  
NOEUPP  HIS   14  HA  MET   16  HN   4.30      HA  CYSS  17  HN   4.00  
NOEUPP  HIS   14  HA  CYSS  17  QB   5.28      HA  ILE   29  HA   4.10  
NOEUPP  HIS   14  HA  ILE   29  QG2  6.00      HA  ILE   29  QD1  5.20  
NOEUPP  HIS   14  HA  THR   32  HB   4.20      HA  THR   32  QG2  4.50  
NOEUPP  HIS   14  HA  THR   33  QG2  5.90     2HB  HIS   14  HD2  3.90  
NOEUPP  HIS   14 2HB  ILE   29  HA   4.50     2HB  ILE   29  QG2  5.80  
NOEUPP  HIS   14 2HB  ILE   29  QD1  3.70     2HB  THR   33  QG2  4.10  
NOEUPP  HIS   14 3HB  HIS   14  HD2  3.80     3HB  ILE   29  QG2  6.00  
NOEUPP  HIS   14 3HB  ILE   29  QD1  4.50     3HB  THR   33  QG2  3.50  
NOEUPP  HIS   14  HD2 THR   15  HN   4.70      HD2 THR   15  HA   5.00  
NOEUPP  HIS   14  HD2 THR   15  QG2  5.60      HD2 ILE   29  QD1  6.00  
NOEUPP  HIS   14  HD2 THR   32  HB   5.00      HD2 THR   33  HA   5.00  
NOEUPP  HIS   14  HD2 THR   33  HB   5.00      HD2 THR   33  QG2  5.30  
NOEUPP  HIS   14  HE1 THR   15  HA   5.00      HE1 THR   15  HB   5.00  
NOEUPP  HIS   14  HE1 THR   15  QG2  4.70      HE1 THR   33  QG2  6.00  
NOEUPP  THR   15  HN  THR   15  HB   4.00      HN  THR   15  QG2  3.40  
NOEUPP  THR   15  HN  MET   16  HN   3.40      HA  THR   15  HB   2.70  
NOEUPP  THR   15  HA  THR   15  QG2  3.40      HA  CYSS  17  HN   3.80  
NOEUPP  THR   15  HA  TYR   25  CZ   7.00      HA  ILE   29  QD1  6.00  
NOEUPP  THR   15  HB  MET   16  HN   5.00      HB  MET   16  QE   5.80  
NOEUPP  THR   15  QG2 MET   16  HN   6.00                               
NOEUPP  MET   16  HN  MET   16 2HB   2.90      HN  MET   16 3HB   3.20  
NOEUPP  MET   16  HN  MET   16  QG   5.88      HN  MET   16  QE   6.00  
NOEUPP  MET   16  HN  CYSS  17  HN   3.00      HA  MET   16 2HB   2.90  
NOEUPP  MET   16  HA  MET   16  QE   6.00      HA  TYR   19  CG   7.00  
NOEUPP  MET   16  HA  TYR   19  CZ   7.00     2HB  MET   16  QG   2.61  
NOEUPP  MET   16 2HB  CYSS  17  HN   5.00     2HB  TYR   19  CG   7.00  
NOEUPP  MET   16 2HB  TYR   19  CZ   7.00     3HB  CYSS  17  HN   4.60  
NOEUPP  MET   16  QG  GLY   18  HN   5.38      QG  TYR   19  CG   7.88  
NOEUPP  MET   16  QG  TYR   19  CZ   7.88      QE  TYR   19  CG   8.00  
NOEUPP  MET   16  QE  TYR   19  CZ   8.00                               
NOEUPP  CYSS  17  HN  CYSS  17 2HB   3.30      HN  CYSS  17 3HB   3.30  
NOEUPP  CYSS  17  HN  CYSS  17  QB   2.98      HN  GLY   18  HN   3.70  
NOEUPP  CYSS  17  HN  TYR   25  CZ   7.00      HN  ILE   29  QD1  5.20  
NOEUPP  CYSS  17  HA  CYSS  20 2HB   4.30      HA  TYR   25  CG   7.00  
NOEUPP  CYSS  17  HA  TYR   25  CZ   7.00      HA  CYSS  28  QB   5.88  
NOEUPP  CYSS  17  HA  ILE   29  QD1  6.00     2HB  TYR   25  CG   7.00  
NOEUPP  CYSS  17 2HB  TYR   25  CZ   7.00     2HB  CYSS  28 2HB   6.75  
NOEUPP  CYSS  17 2HB  CYSS  28 3HB   6.75     2HB  ILE   29 2HG1  6.75  
NOEUPP  CYSS  17 2HB  ILE   29 3HG1  6.75     2HB  ILE   29  QD1  4.40  
NOEUPP  CYSS  17 3HB  TYR   25  CG   7.00     3HB  TYR   25  CZ   7.00  
NOEUPP  CYSS  17 3HB  CYSS  28 2HB   6.75     3HB  CYSS  28 3HB   6.75  
NOEUPP  CYSS  17 3HB  ILE   29 2HG1  6.75     3HB  ILE   29 3HG1  6.75  
NOEUPP  CYSS  17 3HB  ILE   29  QD1  4.40      QB  CYSS  28  QB   5.81  
NOEUPP  CYSS  17  QB  ILE   29  QG1  5.81      QB  ILE   29  QD1  4.11  
NOEUPP  GLY   18  HN  TYR   19  HN   3.20      HN  TYR   19 2HB   5.00  
NOEUPP  GLY   18  HN  TYR   25  CZ   7.00     1HA  TYR   25  CG   7.00  
NOEUPP  GLY   18 1HA  TYR   25  CZ   7.00     2HA  TYR   25  CG   7.00  
NOEUPP  GLY   18 2HA  TYR   25  CZ   7.00                               
NOEUPP  TYR   19  HN  TYR   19 2HB   2.90      HN  TYR   19 3HB   3.50  
NOEUPP  TYR   19  HN  CYSS  20  HN   3.20      HA  TYR   19 3HB   2.90  
NOEUPP  TYR   19 2HB  CYSS  20  HN   4.60                               
NOEUPP  CYSS  20  HN  CYSS  20 2HB   2.80      HN  CYSS  20 3HB   3.70  
NOEUPP  CYSS  20  HN  GLN   21  HN   5.00      HN  TYR   25  CG   7.00  
NOEUPP  CYSS  20  HA  GLN   21  HN   3.40      HA  LEU   24 2HB   5.00  
NOEUPP  CYSS  20  HA  LEU   24 3HB   5.00      HA  LEU   24  QD1  6.00  
NOEUPP  CYSS  20  HA  LEU   24  QD2  6.00     2HB  GLN   21  HN   5.00  
NOEUPP  CYSS  20 2HB  LEU   24 2HB   5.00     2HB  LEU   24 3HB   5.00  
NOEUPP  CYSS  20 2HB  CYSS  28  HN   4.30     2HB  CYSS  28  QB   5.88  
NOEUPP  CYSS  20 3HB  GLN   21  HN   4.10     3HB  LEU   24 2HB   4.00  
NOEUPP  CYSS  20 3HB  LEU   24 3HB   4.20     3HB  LEU   24  HG   5.00  
NOEUPP  CYSS  20 3HB  LEU   24  QD1  6.00     3HB  TYR   25  HN   5.00  
NOEUPP  CYSS  20 3HB  TYR   25  HA   4.60     3HB  CYSS  28  QB   5.88  
NOEUPP  GLN   21  HN  GLN   21  QB   3.77      HN  GLN   21  QG   4.58  
NOEUPP  GLN   21  HN  LEU   24  QD1  4.40      HA  GLN   21  QG   3.86  
NOEUPP  GLN   21  HA  GLY   22  HN   2.50      HA  TYR   25  HN   4.20  
NOEUPP  GLN   21  HA  TYR   25  HA   4.10      HA  TYR   25  CG   7.00  
NOEUPP  GLN   21  HA  TYR   25  CZ   7.00      QB  GLY   22  HN   4.08  
NOEUPP  GLN   21  QB  GLY   22 2HA   5.88      QG  GLY   22  HN   5.78  
NOEUPP  GLN   21  QG  TYR   25 2HB   5.88      QG  TYR   25  CG   7.88  
NOEUPP  GLY   22  HN  GLY   22 1HA   2.60      HN  PRO   23  QD   5.88  
NOEUPP  GLY   22  HN  LEU   24  HN   5.00      HN  TYR   25  HN   5.00  
NOEUPP  GLY   22  HN  TYR   25 2HB   3.70      HN  TYR   25 3HB   5.00  
NOEUPP  GLY   22 1HA  TYR   25  HN   5.00     2HA  PRO   23 2HD   3.00  
NOEUPP  GLY   22 2HA  PRO   23 3HD   3.00     2HA  LEU   24  HN   4.10  
NOEUPP  PRO   23  HA  LEU   24  HN   3.50      HA  MET   26  HN   3.60  
NOEUPP  PRO   23 2HD  LEU   24  HN   5.00     3HD  LEU   24  HN   5.00  
NOEUPP  PRO   23  QD  LEU   24  HN   4.82                               
NOEUPP  LEU   24  HN  LEU   24 2HB   2.60      HN  LEU   24 3HB   3.60  
NOEUPP  LEU   24  HN  LEU   24  HG   3.00      HN  LEU   24  QD1  4.80  
NOEUPP  LEU   24  HN  LEU   24  QD2  4.50      HN  TYR   25  HN   2.80  
NOEUPP  LEU   24  HA  LEU   24 3HB   3.00      HA  LEU   24  HG   3.10  
NOEUPP  LEU   24  HA  LEU   24  QD1  5.50      HA  LEU   24  QD2  3.40  
NOEUPP  LEU   24  HA  MET   26  HN   5.00      HA  THR   27  HN   5.00  
NOEUPP  LEU   24  HA  THR   27  HB   2.50      HA  THR   27  QG2  5.60  
NOEUPP  LEU   24  HA  CYSS  28  HN   4.00     2HB  LEU   24  HG   2.50  
NOEUPP  LEU   24 2HB  LEU   24  QD1  3.50     2HB  TYR   25  HN   3.70  
NOEUPP  LEU   24 3HB  THR   27  HB   5.00      HG  THR   27  HB   5.00  
NOEUPP  LEU   24  QD1 TYR   25  HN   6.00      QD1 THR   27  HB   6.00  
NOEUPP  LEU   24  QD2 THR   27  HB   4.50      QD2 THR   27  QG2  5.40  
NOEUPP  TYR   25  HN  TYR   25 2HB   2.80      HN  TYR   25 3HB   2.80  
NOEUPP  TYR   25  HN  MET   26  HN   3.10      HA  TYR   25 2HB   2.80  
NOEUPP  TYR   25  HA  TYR   25  CZ   5.60      HA  CYSS  28  QB   4.38  
NOEUPP  TYR   25  HA  ILE   29  QD1  6.00     2HB  MET   26  HN   3.80  
NOEUPP  TYR   25 3HB  MET   26  HN   2.90      CG  MET   26  HN   6.70  
NOEUPP  TYR   25  CG  MET   26  HA   7.00      CG  MET   26  QB   7.88  
NOEUPP  TYR   25  CG  MET   26 2HG   7.00      CG  MET   26 3HG   7.00  
NOEUPP  TYR   25  CG  MET   26  QE   8.00      CG  CYSS  28  QB   7.88  
NOEUPP  TYR   25  CG  ILE   29  HN   7.00      CG  ILE   29  QG2  8.00  
NOEUPP  TYR   25  CG  ILE   29 2HG1  7.00      CG  ILE   29 3HG1  7.00  
NOEUPP  TYR   25  CG  ILE   29  QD1  8.00      CZ  MET   26  HA   7.00  
NOEUPP  TYR   25  CZ  MET   26 2HG   7.00      CZ  MET   26 3HG   7.00  
NOEUPP  TYR   25  CZ  MET   26  QE   8.00      CZ  ILE   29  HA   7.00  
NOEUPP  TYR   25  CZ  ILE   29  HB   7.00      CZ  ILE   29  QG2  8.00  
NOEUPP  TYR   25  CZ  ILE   29 2HG1  7.00      CZ  ILE   29 3HG1  7.00  
NOEUPP  TYR   25  CZ  ILE   29  QD1  7.50                               
NOEUPP  MET   26  HN  MET   26 2HB   3.40      HN  MET   26 3HB   3.40  
NOEUPP  MET   26  HN  MET   26  QB   2.99      HN  MET   26 2HG   5.00  
NOEUPP  MET   26  HN  MET   26 3HG   5.00      HN  MET   26  QG   4.27  
NOEUPP  MET   26  HN  THR   27  HN   3.00      HN  CYSS  28  HN   4.50  
NOEUPP  MET   26  HA  MET   26  QE   5.40      HA  ILE   29  HN   3.30  
NOEUPP  MET   26  HA  ILE   29  HB   3.10      HA  ILE   29  QG2  5.90  
NOEUPP  MET   26  HA  ILE   29 2HG1  5.00      HA  ILE   29 3HG1  5.00  
NOEUPP  MET   26  HA  ILE   29  QG1  4.77      HA  ILE   29  QD1  6.00  
NOEUPP  MET   26  HA  GLY   30  HN   4.10     2HB  THR   27  HN   5.00  
NOEUPP  MET   26 3HB  THR   27  HN   5.00      QB  THR   27  HN   4.27  
NOEUPP  MET   26  QE  ILE   29  QG2  7.00                               
NOEUPP  THR   27  HN  THR   27  HA   2.90      HN  THR   27  HB   2.70  
NOEUPP  THR   27  HN  THR   27  QG2  4.90      HN  CYSS  28  HN   3.00  
NOEUPP  THR   27  HA  THR   27  HB   2.90      HA  THR   27  QG2  3.40  
NOEUPP  THR   27  HA  ILE   29  HN   4.00      HB  CYSS  28  HN   2.90  
NOEUPP  THR   27  HB  ILE   31  QD1  6.00      QG2 CYSS  28  HN   3.80  
NOEUPP  THR   27  QG2 CYSS  28  HA   5.60      QG2 GLY   30  HN   6.00  
NOEUPP  THR   27  QG2 ILE   31  QD1  4.90                               
NOEUPP  CYSS  28  HN  CYSS  28 2HB   3.60      HN  CYSS  28 3HB   3.60  
NOEUPP  CYSS  28  HN  CYSS  28  QB   3.24      HA  GLY   30  HN   5.00  
NOEUPP  CYSS  28  HA  ILE   31  HN   4.00      HA  ILE   31  HB   2.90  
NOEUPP  CYSS  28  HA  ILE   31  QG2  5.10      HA  ILE   31  QG1  5.88  
NOEUPP  CYSS  28  HA  ILE   31  QD1  5.40      HA  THR   32  QG2  4.40  
NOEUPP  CYSS  28  QB  ILE   29  HA   5.88      QB  ILE   29  QD1  6.88  
NOEUPP  ILE   29  HN  ILE   29  HA   2.70      HN  ILE   29  QG2  4.40  
NOEUPP  ILE   29  HN  ILE   29 2HG1  3.80      HN  ILE   29 3HG1  3.80  
NOEUPP  ILE   29  HN  ILE   29  QG1  3.18      HN  ILE   29  QD1  4.40  
NOEUPP  ILE   29  HN  GLY   30  HN   3.00      HA  ILE   29  QG2  3.50  
NOEUPP  ILE   29  HA  ILE   29 2HG1  3.90      HA  ILE   29 3HG1  3.90  
NOEUPP  ILE   29  HA  ILE   29  QG1  3.60      HA  ILE   29  QD1  3.40  
NOEUPP  ILE   29  HA  THR   32  QG2  6.00      HA  THR   33  HN   5.00  
NOEUPP  ILE   29  HA  THR   33  QG2  4.80      HB  GLY   30  HN   3.00  
NOEUPP  ILE   29  QG2 ILE   29  QD1  4.40      QG2 GLY   30  HN   3.60  
NOEUPP  ILE   29  QG2 GLY   30 1HA   5.30      QG2 GLY   30 2HA   6.00  
NOEUPP  ILE   29  QG2 THR   33  HN   5.50      QG2 THR   33  HA   6.00  
NOEUPP  ILE   29  QG2 THR   33  HB   6.00      QG2 THR   33  QG2  4.70  
NOEUPP  ILE   29 2HG1 GLY   30  HN   5.00     3HG1 GLY   30  HN   5.00  
NOEUPP  ILE   29  QD1 GLY   30  HN   6.00      QD1 THR   32  HB   6.00  
NOEUPP  ILE   29  QD1 THR   33  HB   6.00      QD1 THR   33  QG2  6.10  
NOEUPP  GLY   30  HN  GLY   30 2HA   2.50      HN  ILE   31  HN   2.90  
NOEUPP  GLY   30 1HA  THR   33  HN   5.00     1HA  ASP-  34  HN   5.00  
NOEUPP  ILE   31  HN  ILE   31  HB   2.50      HN  ILE   31 2HG1  4.70  
NOEUPP  ILE   31  HN  ILE   31 3HG1  4.70      HN  ILE   31  QG1  3.97  
NOEUPP  ILE   31  HN  ILE   31  QD1  5.90      HN  THR   32  HN   3.30  
NOEUPP  ILE   31  HA  ILE   31 2HG1  3.40      HA  ILE   31 3HG1  3.40  
NOEUPP  ILE   31  HA  ILE   31  QG1  2.85      HA  ASP-  34  HN   3.60  
NOEUPP  ILE   31  HA  ASP-  34  QB   5.40      HB  THR   32  HN   3.10  
NOEUPP  ILE   31  HB  THR   32  QG2  4.50      QG2 THR   32  HN   3.40  
NOEUPP  ILE   31  QG2 THR   32  HA   4.90      QG2 THR   32  HB   6.00  
NOEUPP  ILE   31  QG2 THR   32  QG2  5.50      QG2 ASP-  34  HN   6.00  
NOEUPP  ILE   31  QG2 ASP-  34  QB   7.00      QG2 CYSS  37  HA   6.00  
NOEUPP  THR   32  HN  THR   32  QG2  3.40      HN  THR   33  HN   3.00  
NOEUPP  THR   32  HN  ASP-  34  HN   5.00      HA  THR   32  HB   3.00  
NOEUPP  THR   32  HA  THR   32  QG2  3.40      HA  THR   33  QG2  6.00  
NOEUPP  THR   32  HA  ASP-  34  HN   4.20      HA  CYSS  37 2HB   5.00  
NOEUPP  THR   32  HA  CYSS  37 3HB   5.00      HB  THR   33  QG2  6.00  
NOEUPP  THR   32  QG2 THR   33  HN   6.00      QG2 ASP-  34  HN   6.00  
NOEUPP  THR   33  HN  THR   33  HB   3.70      HN  THR   33  QG2  3.40  
NOEUPP  THR   33  HN  ASP-  34  HN   2.70      HN  ASP-  34  QB   6.00  
NOEUPP  THR   33  HA  THR   33  HB   2.60      HA  THR   33  QG2  3.40  
NOEUPP  THR   33  QG2 ASP-  34  HN   5.20                               
NOEUPP  ASP-  34  HN  ASP-  34  QB   3.30      HN  PRO   35 3HD   5.00  
NOEUPP  ASP-  34  HN  CYSS  37  HN   5.00      HN  CYSS  37 2HB   3.70  
NOEUPP  ASP-  34  HN  CYSS  37 3HB   5.00      HA  PRO   35 2HD   2.70  
NOEUPP  ASP-  34  HA  PRO   35 3HD   2.60      HA  GLU-  36  HN   4.10  
NOEUPP  ASP-  34  HA  CYSS  37  HN   5.00      QB  PRO   35 2HD   6.00  
NOEUPP  ASP-  34  QB  GLU-  36  HN   5.20      QB  CYSS  37  HN   4.60  
NOEUPP  ASP-  34  QB  CYSS  37 2HB   6.00                               
NOEUPP  PRO   35  HA  LEU   39  QQD  6.87     2HB  GLU-  36  HN   4.00  
NOEUPP  PRO   35 2HD  GLU-  36  HN   3.50     3HD  GLU-  36  HN   5.00  
NOEUPP  GLU-  36  HN  GLU-  36 2HB   3.30      HN  GLU-  36 3HB   3.30  
NOEUPP  GLU-  36  HN  GLU-  36  QB   2.98      HN  GLU-  36 2HG   4.60  
NOEUPP  GLU-  36  HN  GLU-  36 3HG   4.60      HN  GLU-  36  QG   4.17  
NOEUPP  GLU-  36  HN  CYSS  37  HN   2.90      HN  CYSS  37 2HB   5.00  
NOEUPP  GLU-  36  HA  GLU-  36 2HG   3.70      HA  GLU-  36 3HG   3.70  
NOEUPP  GLU-  36  HA  GLU-  36  QG   3.35      HA  CYSS  37  HN   3.20  
NOEUPP  GLU-  36  HA  GLY   38  HN   5.00      HA  LEU   39  HN   5.00  
NOEUPP  GLU-  36  HA  LEU   39 2HB   4.20      HA  LEU   39 3HB   4.10  
NOEUPP  GLU-  36  HA  LEU   39  HG   5.00      HA  LEU   39  QD1  6.00  
NOEUPP  GLU-  36  HA  LEU   39  QD2  6.00      HA  LEU   39  QQD  4.89  
NOEUPP  GLU-  36 2HG  CYSS  37  HN   5.00     3HG  CYSS  37  HN   5.00  
NOEUPP  CYSS  37  HN  CYSS  37 2HB   2.70      HN  CYSS  37 3HB   2.80  
NOEUPP  CYSS  37  HN  GLY   38  HN   4.20      HA  CYSS  37 2HB   3.00  
NOEUPP  CYSS  37  HA  GLY   38  HN   2.40      HA  LEU   39  HN   5.00  
NOEUPP  CYSS  37 2HB  GLY   38  HN   5.00     3HB  GLY   38  HN   4.90  
NOEUPP  GLY   38  HN  GLY   38 1HA   2.60      HN  LEU   39  HN   3.10  
NOEUPP  GLY   38 1HA  LEU   39  HN   3.40     2HA  LEU   39  HN   3.60  
NOEUPP  LEU   39  HN  LEU   39 2HB   3.10      HN  LEU   39 3HB   2.80  
NOEUPP  LEU   39  HN  LEU   39  HG   5.00      HN  LEU   39  QD1  5.70  
NOEUPP  LEU   39  HN  LEU   39  QD2  5.70      HN  LEU   39  QQD  5.18  
NOEUPP  LEU   39  HA  LEU   39  HG   3.80      HA  LEU   39  QD1  6.00  
NOEUPP  LEU   39  HA  LEU   39  QD2  6.00      HA  PRO   40  QG   5.47  
NOEUPP  LEU   39  HA  PRO   40 2HD   3.40      HA  PRO   40 3HD   3.00  
NOEUPP  LEU   39 2HB  PRO   40 2HD   4.80     2HB  PRO   40 3HD   5.00  
NOEUPP  LEU   39 3HB  PRO   40 2HD   5.00     3HB  PRO   40 3HD   5.00  
NOEUPP  LEU   39  HG  PRO   40 2HD   4.80      HG  PRO   40 3HD   5.00  
NOEUPP  LEU   39  QD1 PRO   40 2HD   6.00      QD2 PRO   40 2HD   6.00  
NOEUPP  LEU   39  QQD PRO   40 2HD   5.64      QQD PRO   40 3HD   7.57  
ANGLE   ASP-   1 CHI1  -275.00   35.00                                  
ANGLE   THR    4 CHI1     5.00   75.00                                  
ANGLE   CYSS   5 PHI    -75.00  -35.00        CHI1   145.00  175.00     
ANGLE   GLU-   6 PHI    -75.00  -35.00        CHI1   145.00  255.00     
ANGLE   GLN    7 PHI   -175.00  -45.00        CHI1   165.00  315.00     
ANGLE   ALA    8 PHI     35.00  315.00                                  
ANGLE   MET    9 PHI    -75.00  -45.00        CHI1   155.00  325.00     
ANGLE   ALA   10 PHI     35.00  295.00                                  
ANGLE   GLU-  13 PHI   -155.00  -85.00                                  
ANGLE   HIS   14 PHI    -75.00  -35.00                                  
ANGLE   THR   15 PHI     35.00  305.00        CHI1    15.00  235.00     
ANGLE   MET   16 PHI   -155.00  -65.00                                  
ANGLE   CYSS  17 PHI    -65.00  -35.00                                  
ANGLE   TYR   19 PHI   -165.00  -65.00        CHI1    65.00  325.00     
ANGLE   CYSS  20 PHI   -165.00  -75.00        CHI1    45.00  315.00     
ANGLE   GLN   21 PHI     55.00  295.00        CHI1   -35.00  145.00     
ANGLE   LEU   24 PHI    -85.00  -55.00        CHI1  -115.00  -85.00     
ANGLE   TYR   25 PHI    -75.00  -35.00        CHI1   145.00  185.00     
ANGLE   MET   26 PHI    -85.00  -45.00                                  
ANGLE   THR   27 PHI    -75.00  -35.00        CHI1  -105.00  -85.00     
ANGLE   CYSS  28 PHI    -75.00   45.00        CHI1   -25.00  175.00     
ANGLE   ILE   29 PHI     85.00  325.00        CHI1  -105.00  -15.00     
ANGLE   ILE   31 PHI    -85.00  -55.00        CHI1  -105.00  -85.00     
ANGLE   THR   32 PHI     35.00  305.00        CHI1    -5.00  245.00     
ANGLE   THR   33 PHI     45.00  285.00        CHI1    35.00  215.00     
ANGLE   ASP-  34 PHI     35.00  315.00                                  
ANGLE   GLU-  36 PHI   -145.00  -75.00                                  
ANGLE   CYSS  37 PHI    -65.00  -45.00                                  
ANGLE   LEU   39 PHI    -95.00  -65.00        CHI1  -155.00 -145.00     
END 


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  265 H/Q atoms
  Start of MODEL    1
    1   1H    ASP   1          1HN       ASP   1  -7.931   1.550  14.451
    2   2H    ASP   1          2HN       ASP   1  -9.321   1.973  13.640
    3   3H    ASP   1          3HN       ASP   1  -8.892   0.407  13.715
    4    HA   ASP   1           HA       ASP   1  -8.141   0.745  11.688
    5   1HB   ASP   1          2HB       ASP   1  -7.500   3.611  12.406
    6   2HB   ASP   1          3HB       ASP   1  -7.319   2.821  10.822
    7    HA   PRO   2           HA       PRO   2  -4.066   0.363  13.993
    8   1HB   PRO   2          2HB       PRO   2  -3.539  -2.283  13.198
    9   2HB   PRO   2          3HB       PRO   2  -4.263  -1.759  14.754
   10   1HG   PRO   2          2HG       PRO   2  -5.607  -2.861  12.323
   11   2HG   PRO   2          3HG       PRO   2  -6.063  -3.075  14.025
   12   1HD   PRO   2          2HD       PRO   2  -7.317  -1.296  12.308
   13   2HD   PRO   2          3HD       PRO   2  -7.203  -1.001  14.073
   14    H    MET   3           HN       MET   3  -2.478   1.289  12.913
   15    HA   MET   3           HA       MET   3  -0.976   1.891  11.453
   16   1HB   MET   3          2HB       MET   3   0.006   0.426  10.098
   17   2HB   MET   3          3HB       MET   3  -1.088  -0.732  10.833
   18   1HG   MET   3          2HG       MET   3  -2.696  -0.055   8.873
   19   2HG   MET   3          3HG       MET   3  -1.259   0.580   8.107
   20   1HE   MET   3          2HE       MET   3   0.916  -1.001   7.572
   21   2HE   MET   3          3HE       MET   3   0.920  -1.687   9.209
   22   3HE   MET   3          1HE       MET   3   0.903  -2.761   7.792
   23    H    THR   4           HN       THR   4  -0.809   3.199   9.508
   24    HA   THR   4           HA       THR   4  -3.429   4.247   8.654
   25    HB   THR   4           HB       THR   4  -2.288   6.186   7.980
   26    HG1  THR   4          1HG       THR   4   0.052   6.320   8.311
   27   1HG2  THR   4          1HG2      THR   4  -2.715   5.939  10.427
   28   2HG2  THR   4          2HG2      THR   4  -1.060   5.349  10.652
   29   3HG2  THR   4          3HG2      THR   4  -1.338   7.001  10.083
   30    H    CYS   5           HN       CYS   5  -3.696   4.903   6.436
   31    HA   CYS   5           HA       CYS   5  -3.078   3.183   4.343
   32   1HB   CYS   5          2HB       CYS   5  -4.613   4.943   3.950
   33   2HB   CYS   5          3HB       CYS   5  -3.438   6.196   4.387
   34    H    GLU   6           HN       GLU   6  -0.949   5.791   5.685
   35    HA   GLU   6           HA       GLU   6   1.083   5.375   3.685
   36   1HB   GLU   6          2HB       GLU   6   1.006   7.255   5.648
   37   2HB   GLU   6          3HB       GLU   6   1.878   6.059   6.525
   38   1HG   GLU   6          2HG       GLU   6   3.450   7.444   5.461
   39   2HG   GLU   6          3HG       GLU   6   3.485   5.884   4.630
   40    H    GLN   7           HN       GLN   7   0.726   4.273   7.060
   41    HA   GLN   7           HA       GLN   7   2.937   2.665   7.129
   42   1HB   GLN   7          2HB       GLN   7   0.365   2.028   8.541
   43   2HB   GLN   7          3HB       GLN   7   1.934   1.339   8.914
   44   1HG   GLN   7          2HG       GLN   7   0.956   4.117   9.516
   45   2HG   GLN   7          3HG       GLN   7   1.755   2.954  10.547
   46   1HE2  GLN   7          2HE2      GLN   7   3.908   5.746   8.524
   47   2HE2  GLN   7          1HE2      GLN   7   2.165   5.770   8.664
   48    H    ALA   8           HN       ALA   8  -0.208   1.690   5.724
   49    HA   ALA   8           HA       ALA   8   0.495  -1.002   5.150
   50   1HB   ALA   8          3HB       ALA   8  -1.760  -0.130   4.829
   51   2HB   ALA   8          1HB       ALA   8  -1.208   0.857   3.455
   52   3HB   ALA   8          2HB       ALA   8  -1.141  -0.916   3.367
   53    H    MET   9           HN       MET   9   1.236   1.994   3.264
   54    HA   MET   9           HA       MET   9   2.685   0.606   1.223
   55   1HB   MET   9          2HB       MET   9   3.290   3.465   2.127
   56   2HB   MET   9          3HB       MET   9   3.536   2.741   0.543
   57   1HG   MET   9          2HG       MET   9   1.012   2.613   0.365
   58   2HG   MET   9          3HG       MET   9   0.945   3.610   1.823
   59   1HE   MET   9          1HE       MET   9  -0.458   5.478   0.701
   60   2HE   MET   9          2HE       MET   9  -0.011   6.277  -0.827
   61   3HE   MET   9          3HE       MET   9  -0.527   4.578  -0.839
   62    H    ALA  10           HN       ALA  10   3.605   2.269   4.113
   63    HA   ALA  10           HA       ALA  10   6.372   2.162   3.849
   64   1HB   ALA  10          1HB       ALA  10   4.792   3.582   5.343
   65   2HB   ALA  10          2HB       ALA  10   4.825   2.199   6.448
   66   3HB   ALA  10          3HB       ALA  10   6.321   3.067   6.080
   67    H    SER  11           HN       SER  11   4.085  -0.163   4.985
   68    HA   SER  11           HA       SER  11   6.140  -1.972   6.160
   69   1HB   SER  11          2HB       SER  11   4.258  -3.527   6.539
   70   2HB   SER  11          3HB       SER  11   4.086  -1.996   7.356
   71    HG   SER  11           HG       SER  11   2.710  -1.340   5.567
   72    H    CYS  12           HN       CYS  12   4.745  -1.422   2.985
   73    HA   CYS  12           HA       CYS  12   5.194  -2.445   1.072
   74   1HB   CYS  12          2HB       CYS  12   7.452  -3.298   1.932
   75   2HB   CYS  12          3HB       CYS  12   6.599  -4.844   2.217
   76    H    GLU  13           HN       GLU  13   3.050  -3.191   3.353
   77    HA   GLU  13           HA       GLU  13   2.360  -5.954   2.477
   78   1HB   GLU  13          2HB       GLU  13   1.298  -4.294   4.776
   79   2HB   GLU  13          3HB       GLU  13   0.840  -5.962   4.371
   80   1HG   GLU  13          2HG       GLU  13   3.644  -5.036   5.100
   81   2HG   GLU  13          3HG       GLU  13   2.549  -5.906   6.178
   82    H    HIS  14           HN       HIS  14   1.782  -5.331   0.408
   83    HA   HIS  14           HA       HIS  14  -0.298  -3.636  -0.438
   84   1HB   HIS  14          2HB       HIS  14  -0.190  -4.655  -2.348
   85   2HB   HIS  14          3HB       HIS  14   1.254  -5.449  -1.714
   86    HD1  HIS  14           HD1      HIS  14  -2.562  -6.083  -2.119
   87    HD2  HIS  14           HD2      HIS  14   1.113  -8.086  -1.720
   88    HE1  HIS  14           HE1      HIS  14  -3.065  -8.548  -2.299
   89    H    THR  15           HN       THR  15  -0.479  -6.725   1.338
   90    HA   THR  15           HA       THR  15  -3.209  -7.252   0.773
   91    HB   THR  15           HB       THR  15  -2.955  -8.802   2.728
   92    HG1  THR  15          1HG       THR  15  -0.682  -8.744   3.602
   93   1HG2  THR  15          1HG2      THR  15  -1.909  -9.263   0.412
   94   2HG2  THR  15          2HG2      THR  15  -0.353  -8.807   1.106
   95   3HG2  THR  15          3HG2      THR  15  -1.245 -10.192   1.757
   96    H    MET  16           HN       MET  16  -1.586  -5.263   3.259
   97    HA   MET  16           HA       MET  16  -4.127  -4.570   4.590
   98   1HB   MET  16          2HB       MET  16  -1.241  -4.532   5.224
   99   2HB   MET  16          3HB       MET  16  -2.030  -3.033   5.604
  100   1HG   MET  16          2HG       MET  16  -2.109  -4.398   7.519
  101   2HG   MET  16          3HG       MET  16  -3.758  -4.226   6.927
  102   1HE   MET  16          1HE       MET  16  -5.314  -6.171   6.529
  103   2HE   MET  16          2HE       MET  16  -4.490  -6.708   5.041
  104   3HE   MET  16          3HE       MET  16  -4.823  -7.861   6.335
  105    H    CYS  17           HN       CYS  17  -3.154  -3.676   1.625
  106    HA   CYS  17           HA       CYS  17  -3.070  -0.878   1.671
  107   1HB   CYS  17          2HB       CYS  17  -3.954  -3.012  -0.265
  108   2HB   CYS  17          3HB       CYS  17  -4.557  -1.437  -0.487
  109    H    GLY  18           HN       GLY  18  -5.620  -2.933   2.707
  110   1HA   GLY  18          1HA       GLY  18  -8.042  -1.764   2.121
  111   2HA   GLY  18          2HA       GLY  18  -7.608  -2.514   3.617
  112    OH   TYR  19           OH       TYR  19  -6.100  -1.925  10.013
  113    H    TYR  19           HN       TYR  19  -5.491  -0.473   4.337
  114    HA   TYR  19           HA       TYR  19  -7.223   1.452   5.585
  115   1HB   TYR  19          2HB       TYR  19  -4.226   1.286   5.143
  116   2HB   TYR  19          3HB       TYR  19  -5.004   2.627   6.013
  117    HD1  TYR  19           HD2      TYR  19  -6.529   2.103   7.989
  118    HD2  TYR  19           HD1      TYR  19  -3.764  -0.749   6.325
  119    HE1  TYR  19           HE2      TYR  19  -7.174   0.463   9.715
  120    HE2  TYR  19           HE1      TYR  19  -4.336  -2.339   8.106
  121    HH   TYR  19           HH       TYR  19  -5.328  -1.824  10.590
  122    H    CYS  20           HN       CYS  20  -5.272   1.523   2.624
  123    HA   CYS  20           HA       CYS  20  -5.956   4.328   1.981
  124   1HB   CYS  20          2HB       CYS  20  -4.652   2.156   0.290
  125   2HB   CYS  20          3HB       CYS  20  -4.823   3.850  -0.074
  126    H    GLN  21           HN       GLN  21  -7.167   4.723  -0.105
  127    HA   GLN  21           HA       GLN  21  -8.913   2.525  -1.003
  128   1HB   GLN  21          2HB       GLN  21 -10.918   3.839  -0.771
  129   2HB   GLN  21          3HB       GLN  21 -10.169   3.601   0.800
  130   1HG   GLN  21          2HG       GLN  21  -9.964   6.142  -0.864
  131   2HG   GLN  21          3HG       GLN  21 -11.094   5.882   0.466
  132   1HE2  GLN  21          2HE2      GLN  21  -8.628   6.370   3.037
  133   2HE2  GLN  21          1HE2      GLN  21 -10.258   5.793   2.693
  134    H    GLY  22           HN       GLY  22 -10.035   3.083  -3.028
  135   1HA   GLY  22          1HA       GLY  22  -9.942   3.706  -5.192
  136   2HA   GLY  22          2HA       GLY  22  -9.960   5.316  -4.504
  137    HA   PRO  23           HA       PRO  23  -6.170   5.594  -6.956
  138   1HB   PRO  23          2HB       PRO  23  -5.242   8.033  -6.099
  139   2HB   PRO  23          3HB       PRO  23  -6.609   7.857  -7.220
  140   1HG   PRO  23          2HG       PRO  23  -6.702   8.350  -4.237
  141   2HG   PRO  23          3HG       PRO  23  -7.699   9.095  -5.509
  142   1HD   PRO  23          2HD       PRO  23  -8.575   7.027  -3.967
  143   2HD   PRO  23          3HD       PRO  23  -9.115   7.238  -5.649
  144    H    LEU  24           HN       LEU  24  -6.234   6.376  -3.474
  145    HA   LEU  24           HA       LEU  24  -3.479   5.923  -3.057
  146   1HB   LEU  24          2HB       LEU  24  -5.878   6.311  -1.284
  147   2HB   LEU  24          3HB       LEU  24  -4.325   5.797  -0.614
  148    HG   LEU  24           HG       LEU  24  -4.629   8.286  -2.299
  149   1HD1  LEU  24          1HD1      LEU  24  -4.402   7.766   0.686
  150   2HD1  LEU  24          2HD1      LEU  24  -4.291   9.367  -0.085
  151   3HD1  LEU  24          3HD1      LEU  24  -5.802   8.429  -0.205
  152   1HD2  LEU  24          1HD2      LEU  24  -2.329   6.943  -0.839
  153   2HD2  LEU  24          2HD2      LEU  24  -2.346   7.607  -2.497
  154   3HD2  LEU  24          3HD2      LEU  24  -2.352   8.697  -1.113
  155    OH   TYR  25           OH       TYR  25  -7.608  -4.390  -3.081
  156    H    TYR  25           HN       TYR  25  -6.294   3.791  -3.049
  157    HA   TYR  25           HA       TYR  25  -4.983   1.447  -1.913
  158   1HB   TYR  25          2HB       TYR  25  -7.407   1.612  -2.220
  159   2HB   TYR  25          3HB       TYR  25  -7.215   1.632  -3.965
  160    HD1  TYR  25           HD2      TYR  25  -4.941  -0.772  -2.515
  161    HD2  TYR  25           HD1      TYR  25  -9.048  -0.122  -3.653
  162    HE1  TYR  25           HE2      TYR  25  -5.380  -3.195  -2.366
  163    HE2  TYR  25           HE1      TYR  25  -9.423  -2.557  -3.654
  164    HH   TYR  25           HH       TYR  25  -8.462  -4.610  -3.481
  165    H    MET  26           HN       MET  26  -5.492   2.499  -5.400
  166    HA   MET  26           HA       MET  26  -3.733   0.369  -6.173
  167   1HB   MET  26          2HB       MET  26  -5.259   2.522  -7.565
  168   2HB   MET  26          3HB       MET  26  -3.871   1.806  -8.397
  169   1HG   MET  26          2HG       MET  26  -5.963   0.506  -8.842
  170   2HG   MET  26          3HG       MET  26  -4.701  -0.437  -8.065
  171   1HE   MET  26          2HE       MET  26  -6.792  -2.232  -7.789
  172   2HE   MET  26          3HE       MET  26  -5.573  -2.297  -6.511
  173   3HE   MET  26          1HE       MET  26  -7.296  -2.357  -6.091
  174    H    THR  27           HN       THR  27  -3.093   3.617  -5.090
  175    HA   THR  27           HA       THR  27  -0.444   3.648  -6.141
  176    HB   THR  27           HB       THR  27  -1.881   5.214  -4.038
  177    HG1  THR  27          1HG       THR  27  -2.193   5.914  -6.099
  178   1HG2  THR  27          2HG2      THR  27   1.059   5.512  -4.727
  179   2HG2  THR  27          3HG2      THR  27   0.099   6.689  -3.814
  180   3HG2  THR  27          1HG2      THR  27   0.404   5.097  -3.131
  181    H    CYS  28           HN       CYS  28  -1.718   2.896  -2.868
  182    HA   CYS  28           HA       CYS  28   0.774   2.083  -1.802
  183   1HB   CYS  28          2HB       CYS  28  -0.454   0.976  -0.050
  184   2HB   CYS  28          3HB       CYS  28  -1.259   2.504  -0.456
  185    H    ILE  29           HN       ILE  29  -1.584   0.409  -3.916
  186    HA   ILE  29           HA       ILE  29  -0.407  -2.101  -3.595
  187    HB   ILE  29           HB       ILE  29  -1.984  -0.949  -5.887
  188   1HG1  ILE  29          2HG1      ILE  29  -3.195  -1.547  -3.765
  189   2HG1  ILE  29          3HG1      ILE  29  -3.716  -2.450  -5.177
  190   1HG2  ILE  29          1HG2      ILE  29  -0.651  -3.644  -5.661
  191   2HG2  ILE  29          2HG2      ILE  29  -2.050  -3.352  -6.714
  192   3HG2  ILE  29          3HG2      ILE  29  -0.538  -2.473  -6.981
  193   1HD1  ILE  29          1HD1      ILE  29  -2.268  -4.380  -4.369
  194   2HD1  ILE  29          2HD1      ILE  29  -1.950  -3.423  -2.904
  195   3HD1  ILE  29          3HD1      ILE  29  -3.581  -3.941  -3.285
  196    H    GLY  30           HN       GLY  30  -0.020   0.335  -6.173
  197   1HA   GLY  30          1HA       GLY  30   2.029  -0.788  -7.632
  198   2HA   GLY  30          2HA       GLY  30   1.754   0.950  -7.461
  199    H    ILE  31           HN       ILE  31   2.362   0.709  -4.455
  200    HA   ILE  31           HA       ILE  31   5.348   0.763  -4.663
  201    HB   ILE  31           HB       ILE  31   3.251   1.667  -2.645
  202   1HG1  ILE  31          2HG1      ILE  31   5.762   3.138  -3.537
  203   2HG1  ILE  31          3HG1      ILE  31   4.377   3.035  -4.632
  204   1HG2  ILE  31          3HG2      ILE  31   6.216   1.216  -2.072
  205   2HG2  ILE  31          1HG2      ILE  31   5.161   2.235  -1.082
  206   3HG2  ILE  31          2HG2      ILE  31   4.840   0.514  -1.192
  207   1HD1  ILE  31          3HD1      ILE  31   4.180   4.140  -1.804
  208   2HD1  ILE  31          1HD1      ILE  31   4.326   5.103  -3.281
  209   3HD1  ILE  31          2HD1      ILE  31   2.897   4.082  -3.027
  210    H    THR  32           HN       THR  32   2.902  -0.789  -2.548
  211    HA   THR  32           HA       THR  32   4.747  -2.450  -1.279
  212    HB   THR  32           HB       THR  32   2.735  -3.803  -0.689
  213    HG1  THR  32          1HG       THR  32   1.509  -1.989  -2.473
  214   1HG2  THR  32          3HG2      THR  32   2.385  -0.776  -0.440
  215   2HG2  THR  32          1HG2      THR  32   1.560  -1.990   0.562
  216   3HG2  THR  32          2HG2      THR  32   3.291  -1.765   0.677
  217    H    THR  33           HN       THR  33   2.655  -3.261  -4.090
  218    HA   THR  33           HA       THR  33   3.802  -5.923  -4.331
  219    HB   THR  33           HB       THR  33   2.348  -6.162  -6.240
  220    HG1  THR  33          1HG       THR  33   1.126  -4.344  -6.966
  221   1HG2  THR  33          2HG2      THR  33   1.367  -6.240  -3.978
  222   2HG2  THR  33          3HG2      THR  33   0.879  -4.533  -4.189
  223   3HG2  THR  33          1HG2      THR  33   0.215  -5.799  -5.249
  224    H    ASP  34           HN       ASP  34   5.244  -2.905  -4.919
  225    HA   ASP  34           HA       ASP  34   6.246  -3.407  -7.534
  226   1HB   ASP  34          2HB       ASP  34   6.368  -1.178  -6.281
  227   2HB   ASP  34          3HB       ASP  34   7.676  -1.881  -5.327
  228    HA   PRO  35           HA       PRO  35   8.949  -6.783  -6.486
  229   1HB   PRO  35          2HB       PRO  35  10.910  -6.335  -8.495
  230   2HB   PRO  35          3HB       PRO  35   9.487  -7.410  -8.559
  231   1HG   PRO  35          2HG       PRO  35   9.851  -4.687  -9.717
  232   2HG   PRO  35          3HG       PRO  35   8.762  -6.010 -10.258
  233   1HD   PRO  35          2HD       PRO  35   7.926  -3.760  -8.956
  234   2HD   PRO  35          3HD       PRO  35   7.048  -5.309  -8.882
  235    H    GLU  36           HN       GLU  36  10.365  -3.410  -7.064
  236    HA   GLU  36           HA       GLU  36  12.596  -4.138  -5.389
  237   1HB   GLU  36          2HB       GLU  36  11.824  -1.708  -7.038
  238   2HB   GLU  36          3HB       GLU  36  13.356  -2.015  -6.259
  239   1HG   GLU  36          2HG       GLU  36  13.544  -4.171  -7.583
  240   2HG   GLU  36          3HG       GLU  36  12.153  -3.630  -8.536
  241    H    CYS  37           HN       CYS  37   9.732  -3.833  -4.288
  242    HA   CYS  37           HA       CYS  37   9.410  -1.541  -2.787
  243   1HB   CYS  37          2HB       CYS  37   7.819  -3.511  -2.902
  244   2HB   CYS  37          3HB       CYS  37   8.833  -4.320  -1.676
  245    H    GLY  38           HN       GLY  38  11.299  -0.648  -1.951
  246   1HA   GLY  38          1HA       GLY  38  12.833  -0.178  -0.365
  247   2HA   GLY  38          2HA       GLY  38  12.164  -1.438   0.696
  248    H    LEU  39           HN       LEU  39  13.278  -2.040  -2.584
  249    HA   LEU  39           HA       LEU  39  15.363  -3.883  -1.590
  250   1HB   LEU  39          2HB       LEU  39  13.465  -4.378  -3.266
  251   2HB   LEU  39          3HB       LEU  39  14.466  -3.498  -4.443
  252    HG   LEU  39           HG       LEU  39  15.333  -5.970  -2.862
  253   1HD1  LEU  39          1HD1      LEU  39  14.296  -5.708  -5.720
  254   2HD1  LEU  39          2HD1      LEU  39  14.952  -7.181  -4.999
  255   3HD1  LEU  39          3HD1      LEU  39  13.450  -6.493  -4.360
  256   1HD2  LEU  39          3HD2      LEU  39  16.542  -4.492  -5.248
  257   2HD2  LEU  39          1HD2      LEU  39  17.257  -4.727  -3.633
  258   3HD2  LEU  39          2HD2      LEU  39  17.051  -6.104  -4.719
  259    HA   PRO  40           HA       PRO  40  18.032  -0.311  -2.682
  260   1HB   PRO  40          2HB       PRO  40  20.440  -1.280  -1.893
  261   2HB   PRO  40          3HB       PRO  40  19.183  -0.810  -0.709
  262   1HG   PRO  40          2HG       PRO  40  19.781  -3.593  -1.760
  263   2HG   PRO  40          3HG       PRO  40  19.614  -3.091  -0.052
  264   1HD   PRO  40          2HD       PRO  40  17.561  -4.201  -1.439
  265   2HD   PRO  40          3HD       PRO  40  17.243  -2.881  -0.284
   
  Start of MODEL           2
 Raw file had  265 H/Q atoms
  Start of MODEL    2
    1   1H    ASP   1          2HN       ASP   1  -8.160   2.089   9.009
    2   2H    ASP   1          3HN       ASP   1  -8.488   0.512   9.525
    3   3H    ASP   1          1HN       ASP   1  -9.593   1.380   8.707
    4    HA   ASP   1           HA       ASP   1  -9.817   2.945  10.340
    5   1HB   ASP   1          2HB       ASP   1 -11.190   0.955  10.349
    6   2HB   ASP   1          3HB       ASP   1 -10.365   0.338  11.737
    7    HA   PRO   2           HA       PRO   2  -6.095   2.816  13.309
    8   1HB   PRO   2          2HB       PRO   2  -4.855   0.408  13.685
    9   2HB   PRO   2          3HB       PRO   2  -6.214   0.977  14.693
   10   1HG   PRO   2          2HG       PRO   2  -6.291  -0.957  12.385
   11   2HG   PRO   2          3HG       PRO   2  -7.142  -1.070  13.953
   12   1HD   PRO   2          2HD       PRO   2  -8.298  -0.113  11.578
   13   2HD   PRO   2          3HD       PRO   2  -8.837   0.487  13.196
   14    H    MET   3           HN       MET   3  -3.597   2.063  12.724
   15    HA   MET   3           HA       MET   3  -1.912   2.252  11.273
   16   1HB   MET   3          2HB       MET   3  -2.496  -0.139  10.973
   17   2HB   MET   3          3HB       MET   3  -3.552   0.307   9.623
   18   1HG   MET   3          2HG       MET   3  -1.599   1.285   8.464
   19   2HG   MET   3          3HG       MET   3  -0.570   0.714   9.798
   20   1HE   MET   3          3HE       MET   3  -0.859  -2.192  10.219
   21   2HE   MET   3          1HE       MET   3  -0.055  -2.947   8.814
   22   3HE   MET   3          2HE       MET   3   0.670  -1.516   9.577
   23    H    THR   4           HN       THR   4  -1.107   3.818   9.909
   24    HA   THR   4           HA       THR   4  -3.080   5.291   8.389
   25    HB   THR   4           HB       THR   4  -1.201   6.648   7.624
   26    HG1  THR   4          1HG       THR   4   0.837   6.088   8.820
   27   1HG2  THR   4          2HG2      THR   4  -2.285   7.112   9.826
   28   2HG2  THR   4          3HG2      THR   4  -1.066   6.093  10.612
   29   3HG2  THR   4          1HG2      THR   4  -0.575   7.585   9.806
   30    H    CYS   5           HN       CYS   5  -3.314   5.547   6.222
   31    HA   CYS   5           HA       CYS   5  -2.855   3.491   4.423
   32   1HB   CYS   5          2HB       CYS   5  -4.210   5.309   3.762
   33   2HB   CYS   5          3HB       CYS   5  -2.940   6.512   4.057
   34    H    GLU   6           HN       GLU   6  -0.573   6.145   5.347
   35    HA   GLU   6           HA       GLU   6   1.557   5.344   3.676
   36   1HB   GLU   6          2HB       GLU   6   1.553   7.413   5.181
   37   2HB   GLU   6          3HB       GLU   6   1.957   6.339   6.530
   38   1HG   GLU   6          2HG       GLU   6   3.979   5.590   5.290
   39   2HG   GLU   6          3HG       GLU   6   3.571   6.679   3.965
   40    H    GLN   7           HN       GLN   7   1.020   4.346   7.135
   41    HA   GLN   7           HA       GLN   7   3.062   2.505   7.378
   42   1HB   GLN   7          2HB       GLN   7   0.252   2.614   8.475
   43   2HB   GLN   7          3HB       GLN   7   1.178   1.116   8.616
   44   1HG   GLN   7          2HG       GLN   7   1.215   2.326  10.604
   45   2HG   GLN   7          3HG       GLN   7   2.860   2.147   9.936
   46   1HE2  GLN   7          2HE2      GLN   7   3.005   5.779   9.231
   47   2HE2  GLN   7          1HE2      GLN   7   3.552   4.231   8.583
   48    H    ALA   8           HN       ALA   8  -0.199   1.821   6.040
   49    HA   ALA   8           HA       ALA   8   0.321  -0.890   5.493
   50   1HB   ALA   8          2HB       ALA   8  -1.891   0.155   5.293
   51   2HB   ALA   8          3HB       ALA   8  -1.400   0.949   3.777
   52   3HB   ALA   8          1HB       ALA   8  -1.481  -0.826   3.870
   53    H    MET   9           HN       MET   9   1.117   1.987   3.417
   54    HA   MET   9           HA       MET   9   2.161   0.370   1.304
   55   1HB   MET   9          2HB       MET   9   3.163   3.179   1.911
   56   2HB   MET   9          3HB       MET   9   3.084   2.318   0.373
   57   1HG   MET   9          2HG       MET   9   0.489   2.528   0.708
   58   2HG   MET   9          3HG       MET   9   0.955   3.794   1.853
   59   1HE   MET   9          2HE       MET   9  -0.208   5.728   0.639
   60   2HE   MET   9          3HE       MET   9  -0.043   6.086  -1.092
   61   3HE   MET   9          1HE       MET   9  -0.882   4.601  -0.572
   62    H    ALA  10           HN       ALA  10   3.555   2.027   3.986
   63    HA   ALA  10           HA       ALA  10   6.276   1.899   3.324
   64   1HB   ALA  10          2HB       ALA  10   5.092   3.481   4.849
   65   2HB   ALA  10          3HB       ALA  10   4.851   2.150   5.999
   66   3HB   ALA  10          1HB       ALA  10   6.494   2.724   5.629
   67    H    SER  11           HN       SER  11   4.113  -0.350   4.821
   68    HA   SER  11           HA       SER  11   6.266  -2.045   5.932
   69   1HB   SER  11          2HB       SER  11   4.410  -3.557   6.547
   70   2HB   SER  11          3HB       SER  11   4.345  -1.939   7.252
   71    HG   SER  11           HG       SER  11   2.768  -1.341   5.826
   72    H    CYS  12           HN       CYS  12   4.837  -1.684   2.814
   73    HA   CYS  12           HA       CYS  12   5.133  -2.769   0.902
   74   1HB   CYS  12          2HB       CYS  12   6.768  -4.914   2.261
   75   2HB   CYS  12          3HB       CYS  12   6.394  -4.821   0.558
   76    H    GLU  13           HN       GLU  13   3.122  -3.355   3.276
   77    HA   GLU  13           HA       GLU  13   2.369  -6.110   2.714
   78   1HB   GLU  13          2HB       GLU  13   1.375  -3.989   4.629
   79   2HB   GLU  13          3HB       GLU  13   0.653  -5.602   4.487
   80   1HG   GLU  13          2HG       GLU  13   3.623  -5.618   4.751
   81   2HG   GLU  13          3HG       GLU  13   2.745  -5.043   6.159
   82    H    HIS  14           HN       HIS  14   1.813  -5.782   0.463
   83    HA   HIS  14           HA       HIS  14  -0.212  -4.064  -0.439
   84   1HB   HIS  14          2HB       HIS  14  -0.190  -5.054  -2.359
   85   2HB   HIS  14          3HB       HIS  14   1.304  -5.784  -1.737
   86    HD1  HIS  14           HD1      HIS  14  -2.455  -6.614  -2.400
   87    HD2  HIS  14           HD2      HIS  14   1.268  -8.410  -1.644
   88    HE1  HIS  14           HE1      HIS  14  -2.792  -9.115  -2.696
   89    H    THR  15           HN       THR  15  -0.497  -7.191   1.244
   90    HA   THR  15           HA       THR  15  -3.214  -7.503   0.573
   91    HB   THR  15           HB       THR  15  -3.308  -9.196   2.331
   92    HG1  THR  15          1HG       THR  15  -0.646  -8.385   2.929
   93   1HG2  THR  15          3HG2      THR  15  -2.336  -9.684   0.123
   94   2HG2  THR  15          1HG2      THR  15  -0.724  -9.271   0.698
   95   3HG2  THR  15          2HG2      THR  15  -1.586 -10.655   1.396
   96    H    MET  16           HN       MET  16  -1.712  -5.301   2.806
   97    HA   MET  16           HA       MET  16  -4.158  -4.872   4.415
   98   1HB   MET  16          2HB       MET  16  -1.237  -4.536   4.782
   99   2HB   MET  16          3HB       MET  16  -2.135  -3.124   5.210
  100   1HG   MET  16          2HG       MET  16  -2.069  -4.228   7.155
  101   2HG   MET  16          3HG       MET  16  -3.681  -4.678   6.572
  102   1HE   MET  16          3HE       MET  16  -3.733  -6.963   4.969
  103   2HE   MET  16          1HE       MET  16  -3.410  -8.404   5.889
  104   3HE   MET  16          2HE       MET  16  -4.466  -7.139   6.574
  105    H    CYS  17           HN       CYS  17  -3.019  -3.733   1.383
  106    HA   CYS  17           HA       CYS  17  -2.949  -1.033   1.779
  107   1HB   CYS  17          2HB       CYS  17  -3.616  -2.857  -0.550
  108   2HB   CYS  17          3HB       CYS  17  -3.777  -1.141  -0.677
  109    H    GLY  18           HN       GLY  18  -5.709  -2.870   2.464
  110   1HA   GLY  18          1HA       GLY  18  -7.802  -1.213   1.391
  111   2HA   GLY  18          2HA       GLY  18  -7.904  -2.343   2.751
  112    OH   TYR  19           OH       TYR  19  -5.287  -2.667  10.007
  113    H    TYR  19           HN       TYR  19  -5.491  -0.705   4.014
  114    HA   TYR  19           HA       TYR  19  -7.074   1.207   5.516
  115   1HB   TYR  19          2HB       TYR  19  -4.080   0.859   5.084
  116   2HB   TYR  19          3HB       TYR  19  -4.779   2.066   6.142
  117    HD1  TYR  19           HD2      TYR  19  -6.383   1.268   8.010
  118    HD2  TYR  19           HD1      TYR  19  -3.517  -1.271   6.073
  119    HE1  TYR  19           HE2      TYR  19  -6.512  -0.367   9.895
  120    HE2  TYR  19           HE1      TYR  19  -3.704  -2.891   7.923
  121    HH   TYR  19           HH       TYR  19  -4.843  -3.505   9.818
  122    H    CYS  20           HN       CYS  20  -5.024   1.321   2.606
  123    HA   CYS  20           HA       CYS  20  -5.510   4.207   2.082
  124   1HB   CYS  20          2HB       CYS  20  -4.208   2.019   0.429
  125   2HB   CYS  20          3HB       CYS  20  -4.342   3.729   0.044
  126    H    GLN  21           HN       GLN  21  -6.856   4.753   0.115
  127    HA   GLN  21           HA       GLN  21  -8.754   2.610  -0.634
  128   1HB   GLN  21          2HB       GLN  21  -9.860   5.276   0.256
  129   2HB   GLN  21          3HB       GLN  21 -10.635   3.696   0.136
  130   1HG   GLN  21          2HG       GLN  21  -8.924   3.093   2.141
  131   2HG   GLN  21          3HG       GLN  21  -8.893   4.843   2.334
  132   1HE2  GLN  21          2HE2      GLN  21 -12.317   2.582   3.040
  133   2HE2  GLN  21          1HE2      GLN  21 -11.209   2.152   1.735
  134    H    GLY  22           HN       GLY  22 -10.078   3.115  -2.487
  135   1HA   GLY  22          1HA       GLY  22  -9.973   3.472  -4.726
  136   2HA   GLY  22          2HA       GLY  22 -10.109   5.146  -4.239
  137    HA   PRO  23           HA       PRO  23  -6.337   5.300  -6.750
  138   1HB   PRO  23          2HB       PRO  23  -5.431   7.856  -6.057
  139   2HB   PRO  23          3HB       PRO  23  -6.644   7.488  -7.303
  140   1HG   PRO  23          2HG       PRO  23  -7.092   8.340  -4.442
  141   2HG   PRO  23          3HG       PRO  23  -7.958   8.885  -5.908
  142   1HD   PRO  23          2HD       PRO  23  -8.990   7.030  -4.210
  143   2HD   PRO  23          3HD       PRO  23  -9.263   6.902  -5.973
  144    H    LEU  24           HN       LEU  24  -6.362   6.188  -3.296
  145    HA   LEU  24           HA       LEU  24  -3.539   5.829  -3.012
  146   1HB   LEU  24          2HB       LEU  24  -5.854   6.279  -1.111
  147   2HB   LEU  24          3HB       LEU  24  -4.268   5.788  -0.518
  148    HG   LEU  24           HG       LEU  24  -4.767   8.243  -2.203
  149   1HD1  LEU  24          2HD1      LEU  24  -5.618   8.300   0.128
  150   2HD1  LEU  24          3HD1      LEU  24  -3.986   7.887   0.713
  151   3HD1  LEU  24          1HD1      LEU  24  -4.262   9.419  -0.152
  152   1HD2  LEU  24          2HD2      LEU  24  -2.258   7.006  -1.028
  153   2HD2  LEU  24          3HD2      LEU  24  -2.509   7.613  -2.693
  154   3HD2  LEU  24          1HD2      LEU  24  -2.379   8.752  -1.359
  155    OH   TYR  25           OH       TYR  25  -6.023  -4.399  -3.801
  156    H    TYR  25           HN       TYR  25  -6.342   3.670  -2.717
  157    HA   TYR  25           HA       TYR  25  -4.915   1.327  -1.644
  158   1HB   TYR  25          2HB       TYR  25  -7.293   1.258  -1.716
  159   2HB   TYR  25          3HB       TYR  25  -7.350   1.586  -3.438
  160    HD1  TYR  25           HD2      TYR  25  -6.607  -0.968  -0.880
  161    HD2  TYR  25           HD1      TYR  25  -6.860  -0.128  -5.093
  162    HE1  TYR  25           HE2      TYR  25  -6.186  -3.358  -1.390
  163    HE2  TYR  25           HE1      TYR  25  -6.317  -2.475  -5.603
  164    HH   TYR  25           HH       TYR  25  -6.221  -4.580  -4.730
  165    H    MET  26           HN       MET  26  -5.641   2.409  -5.002
  166    HA   MET  26           HA       MET  26  -4.051   0.449  -6.233
  167   1HB   MET  26          2HB       MET  26  -4.965   3.243  -7.004
  168   2HB   MET  26          3HB       MET  26  -4.114   2.190  -8.120
  169   1HG   MET  26          2HG       MET  26  -6.716   1.497  -6.689
  170   2HG   MET  26          3HG       MET  26  -6.608   2.101  -8.318
  171   1HE   MET  26          1HE       MET  26  -5.681   0.844 -10.354
  172   2HE   MET  26          2HE       MET  26  -4.123   0.487  -9.557
  173   3HE   MET  26          3HE       MET  26  -5.046  -0.809 -10.325
  174    H    THR  27           HN       THR  27  -3.120   3.665  -4.974
  175    HA   THR  27           HA       THR  27  -0.512   3.562  -6.144
  176    HB   THR  27           HB       THR  27  -1.868   5.248  -4.081
  177    HG1  THR  27          1HG       THR  27  -0.603   5.751  -6.606
  178   1HG2  THR  27          1HG2      THR  27   1.049   5.565  -4.823
  179   2HG2  THR  27          2HG2      THR  27   0.087   6.722  -3.895
  180   3HG2  THR  27          3HG2      THR  27   0.428   5.133  -3.222
  181    H    CYS  28           HN       CYS  28  -1.720   2.919  -2.910
  182    HA   CYS  28           HA       CYS  28   0.589   1.975  -1.650
  183   1HB   CYS  28          2HB       CYS  28  -1.449   2.310  -0.510
  184   2HB   CYS  28          3HB       CYS  28  -2.319   1.080  -1.410
  185    H    ILE  29           HN       ILE  29  -1.625   0.290  -3.962
  186    HA   ILE  29           HA       ILE  29  -0.288  -2.141  -3.646
  187    HB   ILE  29           HB       ILE  29  -2.000  -1.133  -5.928
  188   1HG1  ILE  29          2HG1      ILE  29  -3.199  -1.670  -3.813
  189   2HG1  ILE  29          3HG1      ILE  29  -3.614  -2.748  -5.143
  190   1HG2  ILE  29          2HG2      ILE  29  -0.502  -3.737  -5.616
  191   2HG2  ILE  29          3HG2      ILE  29  -1.947  -3.591  -6.641
  192   3HG2  ILE  29          1HG2      ILE  29  -0.500  -2.627  -6.996
  193   1HD1  ILE  29          3HD1      ILE  29  -2.072  -4.471  -4.173
  194   2HD1  ILE  29          1HD1      ILE  29  -1.765  -3.388  -2.806
  195   3HD1  ILE  29          2HD1      ILE  29  -3.388  -3.999  -3.082
  196    H    GLY  30           HN       GLY  30  -0.064   0.238  -6.243
  197   1HA   GLY  30          1HA       GLY  30   2.081  -0.622  -7.712
  198   2HA   GLY  30          2HA       GLY  30   1.758   1.084  -7.389
  199    H    ILE  31           HN       ILE  31   2.257   0.830  -4.489
  200    HA   ILE  31           HA       ILE  31   5.222   0.943  -4.522
  201    HB   ILE  31           HB       ILE  31   2.997   1.793  -2.650
  202   1HG1  ILE  31          2HG1      ILE  31   5.526   3.241  -3.544
  203   2HG1  ILE  31          3HG1      ILE  31   4.134   3.129  -4.629
  204   1HG2  ILE  31          2HG2      ILE  31   5.906   1.367  -1.893
  205   2HG2  ILE  31          3HG2      ILE  31   4.830   2.465  -1.017
  206   3HG2  ILE  31          1HG2      ILE  31   4.456   0.747  -1.069
  207   1HD1  ILE  31          1HD1      ILE  31   4.026   4.356  -1.865
  208   2HD1  ILE  31          2HD1      ILE  31   4.105   5.244  -3.397
  209   3HD1  ILE  31          3HD1      ILE  31   2.691   4.237  -3.033
  210    H    THR  32           HN       THR  32   2.801  -0.805  -2.573
  211    HA   THR  32           HA       THR  32   4.699  -2.342  -1.187
  212    HB   THR  32           HB       THR  32   2.747  -3.864  -0.684
  213    HG1  THR  32          1HG       THR  32   1.396  -2.030  -2.366
  214   1HG2  THR  32          1HG2      THR  32   3.195  -1.846   0.712
  215   2HG2  THR  32          2HG2      THR  32   2.244  -0.878  -0.410
  216   3HG2  THR  32          3HG2      THR  32   1.466  -2.144   0.570
  217    H    THR  33           HN       THR  33   2.812  -3.170  -4.089
  218    HA   THR  33           HA       THR  33   4.163  -5.752  -4.346
  219    HB   THR  33           HB       THR  33   2.562  -6.223  -6.040
  220    HG1  THR  33          1HG       THR  33   2.690  -3.946  -6.954
  221   1HG2  THR  33          1HG2      THR  33   1.741  -6.315  -3.822
  222   2HG2  THR  33          2HG2      THR  33   1.166  -4.620  -3.959
  223   3HG2  THR  33          3HG2      THR  33   0.475  -5.888  -4.980
  224    H    ASP  34           HN       ASP  34   5.299  -2.709  -4.868
  225    HA   ASP  34           HA       ASP  34   6.423  -2.728  -7.457
  226   1HB   ASP  34          2HB       ASP  34   6.499  -0.831  -5.821
  227   2HB   ASP  34          3HB       ASP  34   7.547  -1.818  -4.780
  228    HA   PRO  35           HA       PRO  35   8.911  -6.491  -6.834
  229   1HB   PRO  35          2HB       PRO  35  10.792  -6.091  -8.851
  230   2HB   PRO  35          3HB       PRO  35   9.169  -6.815  -9.055
  231   1HG   PRO  35          2HG       PRO  35  10.020  -3.958  -9.535
  232   2HG   PRO  35          3HG       PRO  35   8.997  -4.990 -10.573
  233   1HD   PRO  35          2HD       PRO  35   7.910  -3.163  -8.928
  234   2HD   PRO  35          3HD       PRO  35   7.120  -4.741  -9.064
  235    H    GLU  36           HN       GLU  36  10.243  -3.125  -6.772
  236    HA   GLU  36           HA       GLU  36  12.656  -4.032  -5.465
  237   1HB   GLU  36          2HB       GLU  36  11.739  -1.252  -6.290
  238   2HB   GLU  36          3HB       GLU  36  13.352  -1.925  -6.114
  239   1HG   GLU  36          2HG       GLU  36  12.490  -3.595  -8.062
  240   2HG   GLU  36          3HG       GLU  36  11.399  -2.252  -8.373
  241    H    CYS  37           HN       CYS  37   9.631  -3.642  -4.284
  242    HA   CYS  37           HA       CYS  37   9.725  -1.600  -2.430
  243   1HB   CYS  37          2HB       CYS  37   7.690  -2.914  -2.939
  244   2HB   CYS  37          3HB       CYS  37   8.247  -4.213  -1.888
  245    H    GLY  38           HN       GLY  38  11.627  -1.320  -1.321
  246   1HA   GLY  38          1HA       GLY  38  13.090  -1.533   0.422
  247   2HA   GLY  38          2HA       GLY  38  11.868  -2.504   1.253
  248    H    LEU  39           HN       LEU  39  13.283  -3.344  -1.927
  249    HA   LEU  39           HA       LEU  39  14.379  -5.806  -0.712
  250   1HB   LEU  39          2HB       LEU  39  12.784  -5.736  -2.771
  251   2HB   LEU  39          3HB       LEU  39  14.221  -5.216  -3.660
  252    HG   LEU  39           HG       LEU  39  15.380  -7.308  -2.772
  253   1HD1  LEU  39          1HD1      LEU  39  12.521  -8.021  -1.943
  254   2HD1  LEU  39          2HD1      LEU  39  13.846  -9.189  -2.074
  255   3HD1  LEU  39          3HD1      LEU  39  13.921  -7.919  -0.855
  256   1HD2  LEU  39          2HD2      LEU  39  14.478  -7.159  -5.035
  257   2HD2  LEU  39          3HD2      LEU  39  14.304  -8.796  -4.384
  258   3HD2  LEU  39          1HD2      LEU  39  12.891  -7.720  -4.464
  259    HA   PRO  40           HA       PRO  40  18.395  -3.788  -1.440
  260   1HB   PRO  40          2HB       PRO  40  20.063  -5.555  -0.305
  261   2HB   PRO  40          3HB       PRO  40  18.869  -4.663   0.684
  262   1HG   PRO  40          2HG       PRO  40  18.625  -7.479  -0.428
  263   2HG   PRO  40          3HG       PRO  40  18.338  -6.933   1.249
  264   1HD   PRO  40          2HD       PRO  40  16.323  -7.224  -0.622
  265   2HD   PRO  40          3HD       PRO  40  16.251  -6.013   0.685
   
  Start of MODEL           3
 Raw file had  265 H/Q atoms
  Start of MODEL    3
    1   1H    ASP   1          1HN       ASP   1  -2.101  -4.787  12.403
    2   2H    ASP   1          2HN       ASP   1  -0.835  -4.922  13.438
    3   3H    ASP   1          3HN       ASP   1  -2.280  -5.669  13.788
    4    HA   ASP   1           HA       ASP   1  -2.917  -3.968  14.964
    5   1HB   ASP   1          2HB       ASP   1  -1.405  -1.791  14.879
    6   2HB   ASP   1          3HB       ASP   1  -0.744  -3.259  15.581
    7    HA   PRO   2           HA       PRO   2  -5.003  -1.134  12.040
    8   1HB   PRO   2          2HB       PRO   2  -5.633   0.947  13.671
    9   2HB   PRO   2          3HB       PRO   2  -6.509  -0.592  13.795
   10   1HG   PRO   2          2HG       PRO   2  -4.167   0.316  15.490
   11   2HG   PRO   2          3HG       PRO   2  -5.713  -0.352  16.055
   12   1HD   PRO   2          2HD       PRO   2  -3.509  -1.869  15.774
   13   2HD   PRO   2          3HD       PRO   2  -5.125  -2.537  15.376
   14    H    MET   3           HN       MET   3  -4.240   0.893  10.997
   15    HA   MET   3           HA       MET   3  -1.642   2.071  11.817
   16   1HB   MET   3          2HB       MET   3  -0.347   0.989  10.297
   17   2HB   MET   3          3HB       MET   3  -1.264  -0.315  10.987
   18   1HG   MET   3          2HG       MET   3  -2.890  -0.180   9.086
   19   2HG   MET   3          3HG       MET   3  -1.879   1.040   8.353
   20   1HE   MET   3          1HE       MET   3  -2.192  -2.782   9.129
   21   2HE   MET   3          2HE       MET   3  -0.597  -3.376   8.597
   22   3HE   MET   3          3HE       MET   3  -0.735  -2.433  10.097
   23    H    THR   4           HN       THR   4  -0.931   3.345   9.615
   24    HA   THR   4           HA       THR   4  -3.382   4.652   8.548
   25    HB   THR   4           HB       THR   4  -1.834   6.281   7.686
   26    HG1  THR   4          1HG       THR   4   0.346   6.260   8.587
   27   1HG2  THR   4          3HG2      THR   4  -2.815   6.645   9.939
   28   2HG2  THR   4          1HG2      THR   4  -1.419   5.810  10.679
   29   3HG2  THR   4          2HG2      THR   4  -1.184   7.342   9.834
   30    H    CYS   5           HN       CYS   5  -3.497   5.016   6.287
   31    HA   CYS   5           HA       CYS   5  -2.929   3.041   4.382
   32   1HB   CYS   5          2HB       CYS   5  -4.254   5.009   3.849
   33   2HB   CYS   5          3HB       CYS   5  -2.920   6.086   4.286
   34    H    GLU   6           HN       GLU   6  -0.911   5.799   5.414
   35    HA   GLU   6           HA       GLU   6   1.368   5.216   3.852
   36   1HB   GLU   6          2HB       GLU   6   1.031   7.330   4.992
   37   2HB   GLU   6          3HB       GLU   6   1.166   6.553   6.570
   38   1HG   GLU   6          2HG       GLU   6   3.527   6.074   6.134
   39   2HG   GLU   6          3HG       GLU   6   3.323   6.526   4.431
   40    H    GLN   7           HN       GLN   7   0.756   4.245   7.321
   41    HA   GLN   7           HA       GLN   7   3.081   2.686   7.438
   42   1HB   GLN   7          2HB       GLN   7   0.434   2.238   8.895
   43   2HB   GLN   7          3HB       GLN   7   1.946   1.383   9.231
   44   1HG   GLN   7          2HG       GLN   7   1.171   4.180   9.963
   45   2HG   GLN   7          3HG       GLN   7   2.001   2.940  10.870
   46   1HE2  GLN   7          2HE2      GLN   7   4.151   5.592   8.584
   47   2HE2  GLN   7          1HE2      GLN   7   2.418   5.735   8.786
   48    H    ALA   8           HN       ALA   8  -0.111   1.590   6.185
   49    HA   ALA   8           HA       ALA   8   0.660  -1.130   5.818
   50   1HB   ALA   8          2HB       ALA   8  -1.657  -0.343   5.474
   51   2HB   ALA   8          3HB       ALA   8  -1.158   0.560   4.034
   52   3HB   ALA   8          1HB       ALA   8  -1.045  -1.210   4.055
   53    H    MET   9           HN       MET   9   0.895   1.629   3.572
   54    HA   MET   9           HA       MET   9   2.164   0.290   1.422
   55   1HB   MET   9          2HB       MET   9   0.917   2.359   1.276
   56   2HB   MET   9          3HB       MET   9   2.081   3.155   2.374
   57   1HG   MET   9          2HG       MET   9   3.831   2.922   0.592
   58   2HG   MET   9          3HG       MET   9   2.545   2.419  -0.515
   59   1HE   MET   9          3HE       MET   9   0.435   4.107  -1.054
   60   2HE   MET   9          1HE       MET   9   0.158   4.474   0.665
   61   3HE   MET   9          2HE       MET   9   0.382   5.797  -0.500
   62    H    ALA  10           HN       ALA  10   3.470   2.214   4.025
   63    HA   ALA  10           HA       ALA  10   6.193   2.324   3.225
   64   1HB   ALA  10          3HB       ALA  10   4.821   2.576   5.949
   65   2HB   ALA  10          1HB       ALA  10   6.471   3.103   5.592
   66   3HB   ALA  10          2HB       ALA  10   5.090   3.897   4.807
   67    H    SER  11           HN       SER  11   4.154   0.028   4.977
   68    HA   SER  11           HA       SER  11   6.464  -1.673   5.710
   69   1HB   SER  11          2HB       SER  11   3.505  -2.135   6.166
   70   2HB   SER  11          3HB       SER  11   4.857  -3.072   6.827
   71    HG   SER  11           HG       SER  11   4.045  -0.431   7.386
   72    H    CYS  12           HN       CYS  12   4.532  -1.188   2.812
   73    HA   CYS  12           HA       CYS  12   4.933  -2.220   0.918
   74   1HB   CYS  12          2HB       CYS  12   7.245  -2.699   1.702
   75   2HB   CYS  12          3HB       CYS  12   6.709  -4.358   2.048
   76    H    GLU  13           HN       GLU  13   2.863  -2.847   2.988
   77    HA   GLU  13           HA       GLU  13   2.305  -5.723   2.773
   78   1HB   GLU  13          2HB       GLU  13   2.377  -4.250   4.921
   79   2HB   GLU  13          3HB       GLU  13   0.830  -3.607   4.376
   80   1HG   GLU  13          2HG       GLU  13   0.174  -5.323   5.763
   81   2HG   GLU  13          3HG       GLU  13   0.183  -6.215   4.228
   82    H    HIS  14           HN       HIS  14   1.438  -5.967   0.613
   83    HA   HIS  14           HA       HIS  14  -0.469  -4.031  -0.458
   84   1HB   HIS  14          2HB       HIS  14  -0.321  -5.025  -2.321
   85   2HB   HIS  14          3HB       HIS  14   1.027  -5.945  -1.653
   86    HD1  HIS  14           HD1      HIS  14  -2.834  -6.213  -2.048
   87    HD2  HIS  14           HD2      HIS  14   0.644  -8.540  -1.767
   88    HE1  HIS  14           HE1      HIS  14  -3.557  -8.636  -2.380
   89    H    THR  15           HN       THR  15  -0.717  -6.978   1.563
   90    HA   THR  15           HA       THR  15  -3.473  -7.358   0.901
   91    HB   THR  15           HB       THR  15  -3.587  -8.908   2.673
   92    HG1  THR  15          1HG       THR  15  -0.994  -8.639   3.577
   93   1HG2  THR  15          2HG2      THR  15  -2.390  -9.571   0.623
   94   2HG2  THR  15          3HG2      THR  15  -0.848  -9.079   1.346
   95   3HG2  THR  15          1HG2      THR  15  -1.765 -10.418   2.051
   96    H    MET  16           HN       MET  16  -1.867  -5.404   3.445
   97    HA   MET  16           HA       MET  16  -4.518  -4.456   4.382
   98   1HB   MET  16          2HB       MET  16  -1.918  -4.822   5.631
   99   2HB   MET  16          3HB       MET  16  -2.398  -3.153   5.757
  100   1HG   MET  16          2HG       MET  16  -3.306  -4.277   7.663
  101   2HG   MET  16          3HG       MET  16  -4.656  -3.912   6.584
  102   1HE   MET  16          1HE       MET  16  -2.326  -6.564   8.069
  103   2HE   MET  16          2HE       MET  16  -2.933  -8.101   7.425
  104   3HE   MET  16          3HE       MET  16  -2.062  -6.979   6.358
  105    H    CYS  17           HN       CYS  17  -2.855  -3.782   1.739
  106    HA   CYS  17           HA       CYS  17  -2.669  -0.957   1.655
  107   1HB   CYS  17          2HB       CYS  17  -1.877  -2.390  -0.100
  108   2HB   CYS  17          3HB       CYS  17  -3.530  -3.005  -0.404
  109    H    GLY  18           HN       GLY  18  -5.406  -3.093   1.973
  110   1HA   GLY  18          1HA       GLY  18  -7.630  -1.565   1.349
  111   2HA   GLY  18          2HA       GLY  18  -7.485  -2.679   2.716
  112    OH   TYR  19           OH       TYR  19  -6.790  -1.561  10.178
  113    H    TYR  19           HN       TYR  19  -5.268  -0.818   3.907
  114    HA   TYR  19           HA       TYR  19  -6.991   0.867   5.479
  115   1HB   TYR  19          2HB       TYR  19  -4.005   0.557   5.131
  116   2HB   TYR  19          3HB       TYR  19  -4.615   2.045   5.829
  117    HD1  TYR  19           HD2      TYR  19  -5.722   2.182   7.955
  118    HD2  TYR  19           HD1      TYR  19  -4.274  -1.585   6.458
  119    HE1  TYR  19           HE2      TYR  19  -6.533   1.051   9.994
  120    HE2  TYR  19           HE1      TYR  19  -5.049  -2.698   8.541
  121    HH   TYR  19           HH       TYR  19  -7.586  -1.010  10.252
  122    H    CYS  20           HN       CYS  20  -5.079   1.369   2.533
  123    HA   CYS  20           HA       CYS  20  -5.601   4.279   2.285
  124   1HB   CYS  20          2HB       CYS  20  -4.631   2.222   0.324
  125   2HB   CYS  20          3HB       CYS  20  -4.583   3.937   0.115
  126    H    GLN  21           HN       GLN  21  -6.532   4.723  -0.153
  127    HA   GLN  21           HA       GLN  21  -8.704   2.923  -0.807
  128   1HB   GLN  21          2HB       GLN  21 -10.299   5.011  -0.621
  129   2HB   GLN  21          3HB       GLN  21 -10.006   4.064   0.829
  130   1HG   GLN  21          2HG       GLN  21  -8.289   6.498   0.179
  131   2HG   GLN  21          3HG       GLN  21  -9.899   6.691   0.879
  132   1HE2  GLN  21          2HE2      GLN  21  -7.223   6.371   3.619
  133   2HE2  GLN  21          1HE2      GLN  21  -7.113   7.282   2.129
  134    H    GLY  22           HN       GLY  22  -9.684   3.284  -2.792
  135   1HA   GLY  22          1HA       GLY  22  -9.593   3.741  -4.985
  136   2HA   GLY  22          2HA       GLY  22  -9.751   5.406  -4.462
  137    HA   PRO  23           HA       PRO  23  -5.919   5.742  -6.885
  138   1HB   PRO  23          2HB       PRO  23  -4.989   8.194  -5.993
  139   2HB   PRO  23          3HB       PRO  23  -6.303   7.995  -7.172
  140   1HG   PRO  23          2HG       PRO  23  -6.547   8.454  -4.191
  141   2HG   PRO  23          3HG       PRO  23  -7.432   9.270  -5.496
  142   1HD   PRO  23          2HD       PRO  23  -8.519   7.205  -4.109
  143   2HD   PRO  23          3HD       PRO  23  -8.819   7.344  -5.870
  144    H    LEU  24           HN       LEU  24  -5.933   6.579  -3.412
  145    HA   LEU  24           HA       LEU  24  -3.239   5.915  -2.975
  146   1HB   LEU  24          2HB       LEU  24  -5.602   6.478  -1.206
  147   2HB   LEU  24          3HB       LEU  24  -4.114   5.822  -0.530
  148    HG   LEU  24           HG       LEU  24  -4.170   8.316  -2.207
  149   1HD1  LEU  24          2HD1      LEU  24  -5.359   8.500  -0.073
  150   2HD1  LEU  24          3HD1      LEU  24  -3.922   7.858   0.777
  151   3HD1  LEU  24          1HD1      LEU  24  -3.840   9.429  -0.068
  152   1HD2  LEU  24          1HD2      LEU  24  -2.057   6.716  -0.714
  153   2HD2  LEU  24          2HD2      LEU  24  -1.952   7.427  -2.347
  154   3HD2  LEU  24          3HD2      LEU  24  -1.878   8.470  -0.926
  155    OH   TYR  25           OH       TYR  25  -6.973  -4.310  -2.683
  156    H    TYR  25           HN       TYR  25  -6.131   3.902  -3.129
  157    HA   TYR  25           HA       TYR  25  -4.897   1.541  -1.866
  158   1HB   TYR  25          2HB       TYR  25  -7.342   1.740  -2.085
  159   2HB   TYR  25          3HB       TYR  25  -7.205   1.687  -3.840
  160    HD1  TYR  25           HD2      TYR  25  -6.493  -0.416  -4.992
  161    HD2  TYR  25           HD1      TYR  25  -7.066  -0.229  -0.717
  162    HE1  TYR  25           HE2      TYR  25  -6.503  -2.886  -4.885
  163    HE2  TYR  25           HE1      TYR  25  -7.144  -2.716  -0.638
  164    HH   TYR  25           HH       TYR  25  -6.710  -4.806  -3.473
  165    H    MET  26           HN       MET  26  -5.535   2.556  -5.323
  166    HA   MET  26           HA       MET  26  -3.948   0.469  -6.391
  167   1HB   MET  26          2HB       MET  26  -4.910   3.185  -7.380
  168   2HB   MET  26          3HB       MET  26  -3.684   2.296  -8.259
  169   1HG   MET  26          2HG       MET  26  -5.524   0.288  -7.807
  170   2HG   MET  26          3HG       MET  26  -6.548   1.707  -8.025
  171   1HE   MET  26          2HE       MET  26  -7.349  -0.233  -9.974
  172   2HE   MET  26          3HE       MET  26  -6.307  -0.632 -11.367
  173   3HE   MET  26          1HE       MET  26  -5.882  -1.216  -9.744
  174    H    THR  27           HN       THR  27  -3.024   3.637  -5.092
  175    HA   THR  27           HA       THR  27  -0.398   3.482  -6.156
  176    HB   THR  27           HB       THR  27  -1.731   5.136  -4.044
  177    HG1  THR  27          1HG       THR  27  -2.050   5.615  -6.224
  178   1HG2  THR  27          3HG2      THR  27   1.190   5.279  -4.833
  179   2HG2  THR  27          1HG2      THR  27   0.311   6.560  -3.969
  180   3HG2  THR  27          2HG2      THR  27   0.544   4.986  -3.204
  181    H    CYS  28           HN       CYS  28  -1.703   2.779  -2.871
  182    HA   CYS  28           HA       CYS  28   0.750   1.771  -1.903
  183   1HB   CYS  28          2HB       CYS  28  -0.476   0.568  -0.215
  184   2HB   CYS  28          3HB       CYS  28  -0.947   2.275  -0.365
  185    H    ILE  29           HN       ILE  29  -1.702   0.223  -4.057
  186    HA   ILE  29           HA       ILE  29  -0.542  -2.289  -3.680
  187    HB   ILE  29           HB       ILE  29  -2.186  -1.183  -5.975
  188   1HG1  ILE  29          2HG1      ILE  29  -3.485  -1.649  -3.962
  189   2HG1  ILE  29          3HG1      ILE  29  -3.854  -2.778  -5.227
  190   1HG2  ILE  29          3HG2      ILE  29  -0.881  -3.883  -5.651
  191   2HG2  ILE  29          1HG2      ILE  29  -2.287  -3.609  -6.702
  192   3HG2  ILE  29          2HG2      ILE  29  -0.754  -2.776  -7.021
  193   1HD1  ILE  29          2HD1      ILE  29  -2.328  -4.486  -4.129
  194   2HD1  ILE  29          3HD1      ILE  29  -2.095  -3.358  -2.788
  195   3HD1  ILE  29          1HD1      ILE  29  -3.700  -3.990  -3.129
  196    H    GLY  30           HN       GLY  30  -0.223   0.079  -6.236
  197   1HA   GLY  30          1HA       GLY  30   1.756  -0.845  -7.850
  198   2HA   GLY  30          2HA       GLY  30   1.575   0.871  -7.413
  199    H    ILE  31           HN       ILE  31   2.210   0.704  -4.660
  200    HA   ILE  31           HA       ILE  31   5.152   0.444  -4.778
  201    HB   ILE  31           HB       ILE  31   3.060   1.429  -2.801
  202   1HG1  ILE  31          2HG1      ILE  31   5.626   2.717  -3.859
  203   2HG1  ILE  31          3HG1      ILE  31   4.119   2.735  -4.774
  204   1HG2  ILE  31          2HG2      ILE  31   5.990   0.871  -2.175
  205   2HG2  ILE  31          3HG2      ILE  31   4.982   1.977  -1.231
  206   3HG2  ILE  31          1HG2      ILE  31   4.570   0.271  -1.290
  207   1HD1  ILE  31          3HD1      ILE  31   2.961   3.826  -2.851
  208   2HD1  ILE  31          1HD1      ILE  31   4.551   4.020  -2.064
  209   3HD1  ILE  31          2HD1      ILE  31   4.228   4.788  -3.630
  210    H    THR  32           HN       THR  32   2.683  -1.071  -2.698
  211    HA   THR  32           HA       THR  32   4.529  -2.639  -1.343
  212    HB   THR  32           HB       THR  32   2.528  -3.975  -0.620
  213    HG1  THR  32          1HG       THR  32   1.269  -2.320  -2.538
  214   1HG2  THR  32          2HG2      THR  32   2.446  -0.897  -0.642
  215   2HG2  THR  32          3HG2      THR  32   1.260  -1.884   0.254
  216   3HG2  THR  32          1HG2      THR  32   2.951  -1.921   0.653
  217    H    THR  33           HN       THR  33   2.648  -3.422  -4.240
  218    HA   THR  33           HA       THR  33   3.604  -6.180  -4.313
  219    HB   THR  33           HB       THR  33   2.093  -6.444  -6.145
  220    HG1  THR  33          1HG       THR  33   2.601  -4.107  -6.995
  221   1HG2  THR  33          3HG2      THR  33   1.192  -6.361  -3.937
  222   2HG2  THR  33          1HG2      THR  33   0.762  -4.649  -4.197
  223   3HG2  THR  33          2HG2      THR  33   0.045  -5.923  -5.210
  224    H    ASP  34           HN       ASP  34   5.152  -3.230  -4.983
  225    HA   ASP  34           HA       ASP  34   6.269  -4.001  -7.543
  226   1HB   ASP  34          2HB       ASP  34   6.107  -1.618  -6.460
  227   2HB   ASP  34          3HB       ASP  34   7.583  -2.040  -5.624
  228    HA   PRO  35           HA       PRO  35   9.551  -6.655  -5.760
  229   1HB   PRO  35          2HB       PRO  35  11.380  -6.220  -7.884
  230   2HB   PRO  35          3HB       PRO  35  10.246  -7.580  -7.699
  231   1HG   PRO  35          2HG       PRO  35   9.975  -5.118  -9.360
  232   2HG   PRO  35          3HG       PRO  35   9.335  -6.748  -9.699
  233   1HD   PRO  35          2HD       PRO  35   7.813  -4.669  -8.846
  234   2HD   PRO  35          3HD       PRO  35   7.379  -6.299  -8.344
  235    H    GLU  36           HN       GLU  36  10.041  -3.374  -7.184
  236    HA   GLU  36           HA       GLU  36  12.539  -3.019  -5.854
  237   1HB   GLU  36          2HB       GLU  36  11.486  -2.041  -8.087
  238   2HB   GLU  36          3HB       GLU  36  10.925  -0.740  -7.037
  239   1HG   GLU  36          2HG       GLU  36  13.185  -0.197  -6.405
  240   2HG   GLU  36          3HG       GLU  36  13.801  -1.722  -7.037
  241    H    CYS  37           HN       CYS  37   9.824  -3.257  -4.291
  242    HA   CYS  37           HA       CYS  37   9.312  -0.843  -2.921
  243   1HB   CYS  37          2HB       CYS  37   7.785  -2.864  -3.109
  244   2HB   CYS  37          3HB       CYS  37   8.794  -3.643  -1.870
  245    H    GLY  38           HN       GLY  38  11.667  -0.322  -2.461
  246   1HA   GLY  38          1HA       GLY  38  13.366   0.020  -0.879
  247   2HA   GLY  38          2HA       GLY  38  12.348  -0.757   0.346
  248    H    LEU  39           HN       LEU  39  13.737  -1.804  -2.773
  249    HA   LEU  39           HA       LEU  39  14.427  -4.430  -1.830
  250   1HB   LEU  39          2HB       LEU  39  13.910  -3.612  -4.216
  251   2HB   LEU  39          3HB       LEU  39  15.564  -3.007  -4.266
  252    HG   LEU  39           HG       LEU  39  16.345  -5.367  -3.883
  253   1HD1  LEU  39          2HD1      LEU  39  13.424  -6.151  -4.310
  254   2HD1  LEU  39          3HD1      LEU  39  14.811  -7.238  -4.264
  255   3HD1  LEU  39          1HD1      LEU  39  14.314  -6.392  -2.803
  256   1HD2  LEU  39          1HD2      LEU  39  16.014  -4.273  -6.154
  257   2HD2  LEU  39          2HD2      LEU  39  15.950  -6.035  -6.161
  258   3HD2  LEU  39          3HD2      LEU  39  14.448  -5.090  -6.257
  259    HA   PRO  40           HA       PRO  40  18.260  -2.923   0.077
  260   1HB   PRO  40          2HB       PRO  40  19.533  -5.312   0.587
  261   2HB   PRO  40          3HB       PRO  40  18.162  -4.700   1.550
  262   1HG   PRO  40          2HG       PRO  40  18.085  -6.721  -0.702
  263   2HG   PRO  40          3HG       PRO  40  17.273  -6.815   0.888
  264   1HD   PRO  40          2HD       PRO  40  15.998  -5.994  -1.379
  265   2HD   PRO  40          3HD       PRO  40  15.605  -5.279   0.218
   
  Start of MODEL           4
 Raw file had  265 H/Q atoms
  Start of MODEL    4
    1   1H    ASP   1          3HN       ASP   1  -5.948  -3.913  14.496
    2   2H    ASP   1          1HN       ASP   1  -5.650  -5.094  13.419
    3   3H    ASP   1          2HN       ASP   1  -5.258  -5.332  15.030
    4    HA   ASP   1           HA       ASP   1  -3.473  -3.910  14.973
    5   1HB   ASP   1          2HB       ASP   1  -3.555  -5.412  12.358
    6   2HB   ASP   1          3HB       ASP   1  -2.125  -4.597  12.987
    7    HA   PRO   2           HA       PRO   2  -5.199  -0.511  12.353
    8   1HB   PRO   2          2HB       PRO   2  -4.518   1.585  13.922
    9   2HB   PRO   2          3HB       PRO   2  -5.993   0.628  14.204
   10   1HG   PRO   2          2HG       PRO   2  -3.340   0.420  15.633
   11   2HG   PRO   2          3HG       PRO   2  -4.963   0.305  16.344
   12   1HD   PRO   2          2HD       PRO   2  -3.434  -1.890  15.764
   13   2HD   PRO   2          3HD       PRO   2  -5.205  -1.958  15.688
   14    H    MET   3           HN       MET   3  -4.063   1.153  11.202
   15    HA   MET   3           HA       MET   3  -1.369   1.940  11.611
   16   1HB   MET   3          2HB       MET   3  -0.192   0.680  10.025
   17   2HB   MET   3          3HB       MET   3  -1.154  -0.539  10.797
   18   1HG   MET   3          2HG       MET   3  -2.940  -0.028   8.998
   19   2HG   MET   3          3HG       MET   3  -1.604   0.679   8.100
   20   1HE   MET   3          3HE       MET   3   0.729  -0.854   7.694
   21   2HE   MET   3          1HE       MET   3   0.711  -1.523   9.342
   22   3HE   MET   3          2HE       MET   3   0.762  -2.610   7.937
   23    H    THR   4           HN       THR   4  -0.798   3.182   9.371
   24    HA   THR   4           HA       THR   4  -3.324   4.417   8.386
   25    HB   THR   4           HB       THR   4  -1.974   6.224   7.731
   26    HG1  THR   4          1HG       THR   4   0.168   6.337   8.126
   27   1HG2  THR   4          2HG2      THR   4  -2.821   6.014  10.139
   28   2HG2  THR   4          3HG2      THR   4  -1.179   5.546  10.606
   29   3HG2  THR   4          1HG2      THR   4  -1.481   7.149   9.914
   30    H    CYS   5           HN       CYS   5  -3.409   5.033   6.171
   31    HA   CYS   5           HA       CYS   5  -2.911   3.134   4.211
   32   1HB   CYS   5          2HB       CYS   5  -4.299   5.054   3.762
   33   2HB   CYS   5          3HB       CYS   5  -2.988   6.183   4.112
   34    H    GLU   6           HN       GLU   6  -0.798   5.788   5.357
   35    HA   GLU   6           HA       GLU   6   1.440   5.264   3.622
   36   1HB   GLU   6          2HB       GLU   6   1.538   7.253   4.887
   37   2HB   GLU   6          3HB       GLU   6   1.199   6.386   6.396
   38   1HG   GLU   6          2HG       GLU   6   3.524   5.365   6.178
   39   2HG   GLU   6          3HG       GLU   6   3.806   6.490   4.850
   40    H    GLN   7           HN       GLN   7   0.716   4.116   7.001
   41    HA   GLN   7           HA       GLN   7   2.990   2.503   7.111
   42   1HB   GLN   7          2HB       GLN   7   0.369   2.009   8.488
   43   2HB   GLN   7          3HB       GLN   7   1.874   1.163   8.819
   44   1HG   GLN   7          2HG       GLN   7   0.999   3.757   9.845
   45   2HG   GLN   7          3HG       GLN   7   2.213   2.645  10.441
   46   1HE2  GLN   7          2HE2      GLN   7   3.367   6.042   8.634
   47   2HE2  GLN   7          1HE2      GLN   7   1.699   5.688   9.074
   48    H    ALA   8           HN       ALA   8  -0.142   1.617   5.643
   49    HA   ALA   8           HA       ALA   8   0.547  -1.072   5.045
   50   1HB   ALA   8          1HB       ALA   8  -1.687  -0.086   4.649
   51   2HB   ALA   8          2HB       ALA   8  -1.042   0.822   3.266
   52   3HB   ALA   8          3HB       ALA   8  -1.049  -0.947   3.236
   53    H    MET   9           HN       MET   9   1.306   1.946   3.232
   54    HA   MET   9           HA       MET   9   2.737   0.620   1.160
   55   1HB   MET   9          2HB       MET   9   3.319   3.472   2.092
   56   2HB   MET   9          3HB       MET   9   3.571   2.764   0.500
   57   1HG   MET   9          2HG       MET   9   1.132   2.674   0.200
   58   2HG   MET   9          3HG       MET   9   0.948   3.577   1.707
   59   1HE   MET   9          3HE       MET   9  -0.284   4.619  -1.048
   60   2HE   MET   9          1HE       MET   9  -0.399   5.527   0.481
   61   3HE   MET   9          2HE       MET   9   0.181   6.335  -0.992
   62    H    ALA  10           HN       ALA  10   3.778   2.153   4.082
   63    HA   ALA  10           HA       ALA  10   6.589   1.953   3.811
   64   1HB   ALA  10          2HB       ALA  10   5.232   3.502   5.271
   65   2HB   ALA  10          3HB       ALA  10   4.794   2.093   6.246
   66   3HB   ALA  10          1HB       ALA  10   6.464   2.623   6.202
   67    H    SER  11           HN       SER  11   4.125  -0.281   4.899
   68    HA   SER  11           HA       SER  11   6.120  -2.234   5.933
   69   1HB   SER  11          2HB       SER  11   3.089  -2.327   5.753
   70   2HB   SER  11          3HB       SER  11   4.112  -3.632   6.370
   71    HG   SER  11           HG       SER  11   4.889  -2.237   7.967
   72    H    CYS  12           HN       CYS  12   4.424  -1.412   2.933
   73    HA   CYS  12           HA       CYS  12   4.393  -2.319   0.986
   74   1HB   CYS  12          2HB       CYS  12   6.859  -3.796   1.858
   75   2HB   CYS  12          3HB       CYS  12   6.105  -4.092   0.289
   76    H    GLU  13           HN       GLU  13   2.693  -3.083   3.022
   77    HA   GLU  13           HA       GLU  13   2.110  -5.928   2.425
   78   1HB   GLU  13          2HB       GLU  13   1.475  -4.134   4.779
   79   2HB   GLU  13          3HB       GLU  13   0.341  -5.419   4.352
   80   1HG   GLU  13          2HG       GLU  13   3.296  -6.008   4.703
   81   2HG   GLU  13          3HG       GLU  13   2.117  -6.089   6.025
   82    H    HIS  14           HN       HIS  14   1.413  -5.570   0.389
   83    HA   HIS  14           HA       HIS  14  -0.717  -3.879  -0.432
   84   1HB   HIS  14          2HB       HIS  14  -0.511  -4.939  -2.342
   85   2HB   HIS  14          3HB       HIS  14   0.813  -5.835  -1.625
   86    HD1  HIS  14           HD1      HIS  14  -3.085  -6.255  -1.817
   87    HD2  HIS  14           HD2      HIS  14   0.540  -8.382  -1.834
   88    HE1  HIS  14           HE1      HIS  14  -3.705  -8.714  -2.024
   89    H    THR  15           HN       THR  15  -0.619  -6.825   1.592
   90    HA   THR  15           HA       THR  15  -3.341  -7.519   1.207
   91    HB   THR  15           HB       THR  15  -3.078  -9.039   2.976
   92    HG1  THR  15          1HG       THR  15  -0.593  -7.916   3.728
   93   1HG2  THR  15          2HG2      THR  15  -1.786  -9.555   0.921
   94   2HG2  THR  15          3HG2      THR  15  -0.337  -8.811   1.633
   95   3HG2  THR  15          1HG2      THR  15  -1.052 -10.227   2.389
   96    H    MET  16           HN       MET  16  -1.804  -5.003   3.193
   97    HA   MET  16           HA       MET  16  -4.368  -4.348   4.492
   98   1HB   MET  16          2HB       MET  16  -1.483  -4.289   5.198
   99   2HB   MET  16          3HB       MET  16  -2.363  -2.854   5.616
  100   1HG   MET  16          2HG       MET  16  -2.522  -4.302   7.483
  101   2HG   MET  16          3HG       MET  16  -4.111  -4.383   6.717
  102   1HE   MET  16          2HE       MET  16  -5.024  -6.252   5.466
  103   2HE   MET  16          3HE       MET  16  -4.596  -7.923   5.840
  104   3HE   MET  16          1HE       MET  16  -5.142  -6.820   7.139
  105    H    CYS  17           HN       CYS  17  -3.446  -3.732   1.561
  106    HA   CYS  17           HA       CYS  17  -3.104  -0.889   1.497
  107   1HB   CYS  17          2HB       CYS  17  -3.750  -3.053  -0.447
  108   2HB   CYS  17          3HB       CYS  17  -4.481  -1.522  -0.776
  109    H    GLY  18           HN       GLY  18  -5.773  -2.871   2.446
  110   1HA   GLY  18          1HA       GLY  18  -7.953  -1.185   1.803
  111   2HA   GLY  18          2HA       GLY  18  -7.874  -2.336   3.140
  112    OH   TYR  19           OH       TYR  19  -6.154  -2.061  10.493
  113    H    TYR  19           HN       TYR  19  -5.361  -0.586   4.105
  114    HA   TYR  19           HA       TYR  19  -6.893   1.371   5.673
  115   1HB   TYR  19          2HB       TYR  19  -3.948   0.679   5.407
  116   2HB   TYR  19          3HB       TYR  19  -4.521   2.080   6.302
  117    HD1  TYR  19           HD2      TYR  19  -5.994   1.878   8.260
  118    HD2  TYR  19           HD1      TYR  19  -4.286  -1.600   6.380
  119    HE1  TYR  19           HE2      TYR  19  -6.600   0.501  10.237
  120    HE2  TYR  19           HE1      TYR  19  -4.847  -2.953   8.381
  121    HH   TYR  19           HH       TYR  19  -5.522  -2.764  10.703
  122    H    CYS  20           HN       CYS  20  -5.434   1.293   2.545
  123    HA   CYS  20           HA       CYS  20  -5.703   4.248   2.154
  124   1HB   CYS  20          2HB       CYS  20  -4.666   2.104   0.250
  125   2HB   CYS  20          3HB       CYS  20  -4.774   3.813  -0.024
  126    H    GLN  21           HN       GLN  21  -6.852   4.445  -0.250
  127    HA   GLN  21           HA       GLN  21  -8.854   2.507  -0.808
  128   1HB   GLN  21          2HB       GLN  21 -10.837   3.951  -0.268
  129   2HB   GLN  21          3HB       GLN  21  -9.980   3.418   1.167
  130   1HG   GLN  21          2HG       GLN  21  -8.763   5.717   1.125
  131   2HG   GLN  21          3HG       GLN  21  -9.958   6.187  -0.091
  132   1HE2  GLN  21          2HE2      GLN  21 -11.010   5.793   3.888
  133   2HE2  GLN  21          1HE2      GLN  21  -9.378   5.505   3.324
  134    H    GLY  22           HN       GLY  22 -10.418   3.488  -2.568
  135   1HA   GLY  22          1HA       GLY  22 -10.422   4.245  -4.739
  136   2HA   GLY  22          2HA       GLY  22 -10.061   5.783  -3.950
  137    HA   PRO  23           HA       PRO  23  -6.575   5.020  -6.848
  138   1HB   PRO  23          2HB       PRO  23  -5.468   7.532  -6.913
  139   2HB   PRO  23          3HB       PRO  23  -6.953   7.067  -7.795
  140   1HG   PRO  23          2HG       PRO  23  -6.776   8.434  -5.107
  141   2HG   PRO  23          3HG       PRO  23  -7.761   8.925  -6.515
  142   1HD   PRO  23          2HD       PRO  23  -8.809   7.482  -4.479
  143   2HD   PRO  23          3HD       PRO  23  -9.296   7.128  -6.165
  144    H    LEU  24           HN       LEU  24  -6.396   6.394  -3.561
  145    HA   LEU  24           HA       LEU  24  -3.639   5.980  -3.225
  146   1HB   LEU  24          2HB       LEU  24  -5.935   6.273  -1.288
  147   2HB   LEU  24          3HB       LEU  24  -4.353   5.723  -0.745
  148    HG   LEU  24           HG       LEU  24  -4.819   8.351  -2.156
  149   1HD1  LEU  24          2HD1      LEU  24  -5.738   8.152   0.160
  150   2HD1  LEU  24          3HD1      LEU  24  -4.150   7.577   0.723
  151   3HD1  LEU  24          1HD1      LEU  24  -4.320   9.230   0.097
  152   1HD2  LEU  24          2HD2      LEU  24  -2.392   6.876  -1.053
  153   2HD2  LEU  24          3HD2      LEU  24  -2.566   7.670  -2.636
  154   3HD2  LEU  24          1HD2      LEU  24  -2.436   8.644  -1.174
  155    OH   TYR  25           OH       TYR  25  -6.106  -4.242  -1.666
  156    H    TYR  25           HN       TYR  25  -6.358   3.717  -3.227
  157    HA   TYR  25           HA       TYR  25  -4.953   1.494  -1.915
  158   1HB   TYR  25          2HB       TYR  25  -7.456   1.680  -2.310
  159   2HB   TYR  25          3HB       TYR  25  -7.126   1.367  -4.012
  160    HD1  TYR  25           HD2      TYR  25  -6.041  -0.862  -4.721
  161    HD2  TYR  25           HD1      TYR  25  -7.527  -0.076  -0.742
  162    HE1  TYR  25           HE2      TYR  25  -5.741  -3.243  -4.123
  163    HE2  TYR  25           HE1      TYR  25  -7.315  -2.479  -0.200
  164    HH   TYR  25           HH       TYR  25  -5.606  -4.742  -2.326
  165    H    MET  26           HN       MET  26  -5.535   2.385  -5.406
  166    HA   MET  26           HA       MET  26  -3.786   0.319  -6.306
  167   1HB   MET  26          2HB       MET  26  -5.175   2.681  -7.536
  168   2HB   MET  26          3HB       MET  26  -3.749   2.051  -8.369
  169   1HG   MET  26          2HG       MET  26  -4.634  -0.227  -8.305
  170   2HG   MET  26          3HG       MET  26  -6.069   0.328  -7.428
  171   1HE   MET  26          2HE       MET  26  -7.303  -1.218  -9.071
  172   2HE   MET  26          3HE       MET  26  -7.344  -1.000 -10.835
  173   3HE   MET  26          1HE       MET  26  -5.855  -1.560 -10.030
  174    H    THR  27           HN       THR  27  -3.160   3.595  -5.153
  175    HA   THR  27           HA       THR  27  -0.519   3.694  -6.241
  176    HB   THR  27           HB       THR  27  -1.984   5.166  -4.086
  177    HG1  THR  27          1HG       THR  27  -2.357   5.625  -6.304
  178   1HG2  THR  27          3HG2      THR  27   0.877   5.649  -4.968
  179   2HG2  THR  27          1HG2      THR  27  -0.090   6.793  -4.019
  180   3HG2  THR  27          2HG2      THR  27   0.347   5.232  -3.326
  181    H    CYS  28           HN       CYS  28  -1.746   2.905  -2.917
  182    HA   CYS  28           HA       CYS  28   0.801   2.121  -1.893
  183   1HB   CYS  28          2HB       CYS  28  -0.390   1.051  -0.118
  184   2HB   CYS  28          3HB       CYS  28  -1.195   2.579  -0.555
  185    H    ILE  29           HN       ILE  29  -1.579   0.422  -4.030
  186    HA   ILE  29           HA       ILE  29  -0.387  -2.069  -3.624
  187    HB   ILE  29           HB       ILE  29  -1.987  -1.027  -5.964
  188   1HG1  ILE  29          2HG1      ILE  29  -3.237  -1.569  -3.853
  189   2HG1  ILE  29          3HG1      ILE  29  -3.691  -2.552  -5.239
  190   1HG2  ILE  29          3HG2      ILE  29  -0.623  -3.707  -5.651
  191   2HG2  ILE  29          1HG2      ILE  29  -2.013  -3.431  -6.723
  192   3HG2  ILE  29          2HG2      ILE  29  -0.502  -2.569  -7.006
  193   1HD1  ILE  29          3HD1      ILE  29  -2.290  -4.416  -4.318
  194   2HD1  ILE  29          1HD1      ILE  29  -1.874  -3.372  -2.941
  195   3HD1  ILE  29          2HD1      ILE  29  -3.537  -3.865  -3.179
  196    H    GLY  30           HN       GLY  30   0.008   0.272  -6.249
  197   1HA   GLY  30          1HA       GLY  30   2.061  -0.704  -7.746
  198   2HA   GLY  30          2HA       GLY  30   1.884   1.009  -7.324
  199    H    ILE  31           HN       ILE  31   2.386   0.984  -4.634
  200    HA   ILE  31           HA       ILE  31   5.290   0.798  -4.552
  201    HB   ILE  31           HB       ILE  31   3.055   1.754  -2.747
  202   1HG1  ILE  31          2HG1      ILE  31   5.656   3.100  -3.589
  203   2HG1  ILE  31          3HG1      ILE  31   4.195   3.100  -4.598
  204   1HG2  ILE  31          2HG2      ILE  31   5.831   1.045  -1.810
  205   2HG2  ILE  31          3HG2      ILE  31   4.949   2.361  -1.068
  206   3HG2  ILE  31          1HG2      ILE  31   4.272   0.731  -1.036
  207   1HD1  ILE  31          3HD1      ILE  31   2.906   4.172  -2.778
  208   2HD1  ILE  31          1HD1      ILE  31   4.399   4.332  -1.821
  209   3HD1  ILE  31          2HD1      ILE  31   4.246   5.164  -3.367
  210    H    THR  32           HN       THR  32   2.752  -0.867  -2.660
  211    HA   THR  32           HA       THR  32   4.594  -2.412  -1.174
  212    HB   THR  32           HB       THR  32   2.585  -3.885  -0.690
  213    HG1  THR  32          1HG       THR  32   1.293  -2.072  -2.433
  214   1HG2  THR  32          3HG2      THR  32   2.953  -1.068  -0.090
  215   2HG2  THR  32          1HG2      THR  32   1.213  -1.361  -0.225
  216   3HG2  THR  32          2HG2      THR  32   2.155  -2.278   0.917
  217    H    THR  33           HN       THR  33   2.696  -3.261  -4.019
  218    HA   THR  33           HA       THR  33   3.963  -5.865  -4.246
  219    HB   THR  33           HB       THR  33   2.429  -6.265  -6.012
  220    HG1  THR  33          1HG       THR  33   1.975  -3.466  -5.955
  221   1HG2  THR  33          2HG2      THR  33   1.554  -6.271  -3.750
  222   2HG2  THR  33          3HG2      THR  33   0.974  -4.604  -3.987
  223   3HG2  THR  33          1HG2      THR  33   0.339  -5.924  -4.985
  224    H    ASP  34           HN       ASP  34   5.308  -2.872  -4.777
  225    HA   ASP  34           HA       ASP  34   6.523  -3.167  -7.333
  226   1HB   ASP  34          2HB       ASP  34   6.488  -1.067  -5.869
  227   2HB   ASP  34          3HB       ASP  34   7.660  -1.852  -4.819
  228    HA   PRO  35           HA       PRO  35   9.197  -6.609  -5.919
  229   1HB   PRO  35          2HB       PRO  35  10.964  -6.638  -8.053
  230   2HB   PRO  35          3HB       PRO  35   9.367  -7.433  -8.051
  231   1HG   PRO  35          2HG       PRO  35  10.090  -4.731  -9.170
  232   2HG   PRO  35          3HG       PRO  35   9.095  -6.009  -9.939
  233   1HD   PRO  35          2HD       PRO  35   8.014  -3.870  -8.708
  234   2HD   PRO  35          3HD       PRO  35   7.220  -5.448  -8.540
  235    H    GLU  36           HN       GLU  36  10.188  -3.296  -6.928
  236    HA   GLU  36           HA       GLU  36  12.815  -3.540  -5.846
  237   1HB   GLU  36          2HB       GLU  36  12.115  -2.123  -7.799
  238   2HB   GLU  36          3HB       GLU  36  11.137  -1.128  -6.708
  239   1HG   GLU  36          2HG       GLU  36  13.083  -0.355  -5.543
  240   2HG   GLU  36          3HG       GLU  36  14.105  -1.502  -6.443
  241    H    CYS  37           HN       CYS  37   9.919  -3.366  -4.298
  242    HA   CYS  37           HA       CYS  37  10.268  -1.370  -2.344
  243   1HB   CYS  37          2HB       CYS  37   8.157  -2.416  -2.384
  244   2HB   CYS  37          3HB       CYS  37   8.820  -4.018  -2.053
  245    H    GLY  38           HN       GLY  38  12.146  -1.087  -1.460
  246   1HA   GLY  38          1HA       GLY  38  13.990  -1.370  -0.114
  247   2HA   GLY  38          2HA       GLY  38  12.967  -2.472   0.816
  248    H    LEU  39           HN       LEU  39  13.964  -2.834  -2.585
  249    HA   LEU  39           HA       LEU  39  15.174  -5.426  -1.966
  250   1HB   LEU  39          2HB       LEU  39  13.384  -5.029  -3.685
  251   2HB   LEU  39          3HB       LEU  39  14.630  -4.305  -4.702
  252    HG   LEU  39           HG       LEU  39  14.022  -6.670  -5.122
  253   1HD1  LEU  39          1HD1      LEU  39  16.136  -5.792  -5.961
  254   2HD1  LEU  39          2HD1      LEU  39  16.950  -6.349  -4.491
  255   3HD1  LEU  39          3HD1      LEU  39  16.224  -7.523  -5.592
  256   1HD2  LEU  39          1HD2      LEU  39  13.732  -7.403  -2.779
  257   2HD2  LEU  39          2HD2      LEU  39  14.644  -8.509  -3.821
  258   3HD2  LEU  39          3HD2      LEU  39  15.498  -7.509  -2.646
  259    HA   PRO  40           HA       PRO  40  19.046  -3.129  -2.819
  260   1HB   PRO  40          2HB       PRO  40  20.787  -4.651  -1.528
  261   2HB   PRO  40          3HB       PRO  40  19.439  -3.887  -0.645
  262   1HG   PRO  40          2HG       PRO  40  19.675  -6.753  -1.520
  263   2HG   PRO  40          3HG       PRO  40  19.001  -6.091   0.009
  264   1HD   PRO  40          2HD       PRO  40  17.587  -6.791  -2.373
  265   2HD   PRO  40          3HD       PRO  40  16.908  -5.923  -0.997
   
  Start of MODEL           5
 Raw file had  265 H/Q atoms
  Start of MODEL    5
    1   1H    ASP   1          3HN       ASP   1  -9.672   2.732  13.466
    2   2H    ASP   1          1HN       ASP   1  -9.746   3.897  12.293
    3   3H    ASP   1          2HN       ASP   1 -11.004   2.829  12.508
    4    HA   ASP   1           HA       ASP   1  -9.805   1.013  11.775
    5   1HB   ASP   1          2HB       ASP   1 -10.813   2.435  10.040
    6   2HB   ASP   1          3HB       ASP   1  -9.300   3.365   9.926
    7    HA   PRO   2           HA       PRO   2  -5.827   1.842  13.602
    8   1HB   PRO   2          2HB       PRO   2  -4.749  -0.667  13.715
    9   2HB   PRO   2          3HB       PRO   2  -6.121  -0.136  14.738
   10   1HG   PRO   2          2HG       PRO   2  -6.262  -1.684  12.139
   11   2HG   PRO   2          3HG       PRO   2  -7.090  -2.081  13.674
   12   1HD   PRO   2          2HD       PRO   2  -8.334  -0.742  11.672
   13   2HD   PRO   2          3HD       PRO   2  -8.650  -0.289  13.375
   14    H    MET   3           HN       MET   3  -3.512   1.830  13.096
   15    HA   MET   3           HA       MET   3  -1.757   2.158  11.616
   16   1HB   MET   3          2HB       MET   3  -2.243  -0.336  11.507
   17   2HB   MET   3          3HB       MET   3  -3.041  -0.021   9.972
   18   1HG   MET   3          2HG       MET   3  -1.017   0.486   8.910
   19   2HG   MET   3          3HG       MET   3  -0.161   0.732  10.460
   20   1HE   MET   3          3HE       MET   3   0.657  -1.218   7.801
   21   2HE   MET   3          1HE       MET   3   1.832  -1.060   9.140
   22   3HE   MET   3          2HE       MET   3   1.293  -2.659   8.619
   23    H    THR   4           HN       THR   4  -1.456   2.550   9.034
   24    HA   THR   4           HA       THR   4  -3.617   4.372   8.125
   25    HB   THR   4           HB       THR   4  -1.937   6.089   7.889
   26    HG1  THR   4          1HG       THR   4   0.196   5.496   8.868
   27   1HG2  THR   4          2HG2      THR   4  -2.933   5.783  10.201
   28   2HG2  THR   4          3HG2      THR   4  -1.468   4.874  10.647
   29   3HG2  THR   4          1HG2      THR   4  -1.338   6.571  10.169
   30    H    CYS   5           HN       CYS   5  -3.434   5.016   5.982
   31    HA   CYS   5           HA       CYS   5  -2.820   3.094   4.047
   32   1HB   CYS   5          2HB       CYS   5  -4.207   5.002   3.531
   33   2HB   CYS   5          3HB       CYS   5  -2.935   6.157   3.916
   34    H    GLU   6           HN       GLU   6  -0.882   5.815   5.329
   35    HA   GLU   6           HA       GLU   6   1.474   5.406   3.844
   36   1HB   GLU   6          2HB       GLU   6   1.116   7.277   5.453
   37   2HB   GLU   6          3HB       GLU   6   1.308   6.166   6.804
   38   1HG   GLU   6          2HG       GLU   6   3.599   5.605   5.993
   39   2HG   GLU   6          3HG       GLU   6   3.393   6.692   4.631
   40    H    GLN   7           HN       GLN   7   0.593   4.018   7.062
   41    HA   GLN   7           HA       GLN   7   2.949   2.513   7.245
   42   1HB   GLN   7          2HB       GLN   7   0.346   2.427   8.729
   43   2HB   GLN   7          3HB       GLN   7   1.495   1.098   8.862
   44   1HG   GLN   7          2HG       GLN   7   1.748   2.776  10.611
   45   2HG   GLN   7          3HG       GLN   7   3.218   2.451   9.682
   46   1HE2  GLN   7          2HE2      GLN   7   3.432   5.813   8.334
   47   2HE2  GLN   7          1HE2      GLN   7   3.922   4.154   8.072
   48    H    ALA   8           HN       ALA   8  -0.172   1.495   5.776
   49    HA   ALA   8           HA       ALA   8   0.552  -1.185   5.156
   50   1HB   ALA   8          3HB       ALA   8  -1.007   0.840   3.477
   51   2HB   ALA   8          1HB       ALA   8  -0.847  -0.884   3.100
   52   3HB   ALA   8          2HB       ALA   8  -1.670  -0.381   4.571
   53    H    MET   9           HN       MET   9   1.166   1.771   3.269
   54    HA   MET   9           HA       MET   9   2.552   0.489   1.141
   55   1HB   MET   9          2HB       MET   9   1.277   2.617   1.110
   56   2HB   MET   9          3HB       MET   9   2.515   3.354   2.152
   57   1HG   MET   9          2HG       MET   9   4.178   3.039   0.310
   58   2HG   MET   9          3HG       MET   9   2.847   2.510  -0.732
   59   1HE   MET   9          1HE       MET   9   0.669   4.210  -1.174
   60   2HE   MET   9          2HE       MET   9   0.548   4.710   0.528
   61   3HE   MET   9          3HE       MET   9   0.706   5.930  -0.750
   62    H    ALA  10           HN       ALA  10   3.585   2.165   3.987
   63    HA   ALA  10           HA       ALA  10   6.362   2.305   3.505
   64   1HB   ALA  10          3HB       ALA  10   4.693   2.400   6.019
   65   2HB   ALA  10          1HB       ALA  10   6.408   2.827   5.957
   66   3HB   ALA  10          2HB       ALA  10   5.200   3.774   5.045
   67    H    SER  11           HN       SER  11   4.151  -0.116   4.849
   68    HA   SER  11           HA       SER  11   6.354  -1.925   5.628
   69   1HB   SER  11          2HB       SER  11   3.383  -2.538   5.486
   70   2HB   SER  11          3HB       SER  11   4.672  -3.456   6.297
   71    HG   SER  11           HG       SER  11   3.897  -2.304   7.909
   72    H    CYS  12           HN       CYS  12   4.518  -1.224   2.666
   73    HA   CYS  12           HA       CYS  12   4.487  -2.235   0.728
   74   1HB   CYS  12          2HB       CYS  12   6.444  -2.791  -0.051
   75   2HB   CYS  12          3HB       CYS  12   7.072  -3.125   1.540
   76    H    GLU  13           HN       GLU  13   2.931  -3.038   3.123
   77    HA   GLU  13           HA       GLU  13   2.372  -5.940   2.695
   78   1HB   GLU  13          2HB       GLU  13   1.285  -3.915   4.680
   79   2HB   GLU  13          3HB       GLU  13   0.788  -5.615   4.572
   80   1HG   GLU  13          2HG       GLU  13   3.724  -4.964   4.939
   81   2HG   GLU  13          3HG       GLU  13   2.604  -4.930   6.315
   82    H    HIS  14           HN       HIS  14   1.686  -5.635   0.485
   83    HA   HIS  14           HA       HIS  14  -0.491  -4.030  -0.354
   84   1HB   HIS  14          2HB       HIS  14  -0.340  -5.051  -2.243
   85   2HB   HIS  14          3HB       HIS  14   1.009  -5.977  -1.589
   86    HD1  HIS  14           HD1      HIS  14  -2.926  -6.369  -1.674
   87    HD2  HIS  14           HD2      HIS  14   0.687  -8.516  -1.831
   88    HE1  HIS  14           HE1      HIS  14  -3.550  -8.810  -1.860
   89    H    THR  15           HN       THR  15  -0.476  -7.119   1.498
   90    HA   THR  15           HA       THR  15  -3.264  -7.461   1.176
   91    HB   THR  15           HB       THR  15  -2.806  -9.090   3.152
   92    HG1  THR  15          1HG       THR  15  -0.906  -8.544   4.087
   93   1HG2  THR  15          1HG2      THR  15  -2.754  -9.645   0.709
   94   2HG2  THR  15          2HG2      THR  15  -1.033  -9.208   0.671
   95   3HG2  THR  15          3HG2      THR  15  -1.578 -10.576   1.658
   96    H    MET  16           HN       MET  16  -1.577  -5.119   3.107
   97    HA   MET  16           HA       MET  16  -3.990  -4.639   4.747
   98   1HB   MET  16          2HB       MET  16  -1.076  -4.539   5.208
   99   2HB   MET  16          3HB       MET  16  -1.874  -3.044   5.629
  100   1HG   MET  16          2HG       MET  16  -1.889  -4.549   7.519
  101   2HG   MET  16          3HG       MET  16  -3.552  -4.346   6.935
  102   1HE   MET  16          1HE       MET  16  -3.985  -6.324   8.598
  103   2HE   MET  16          2HE       MET  16  -3.418  -8.002   8.354
  104   3HE   MET  16          3HE       MET  16  -2.285  -6.738   8.909
  105    H    CYS  17           HN       CYS  17  -2.865  -3.732   1.770
  106    HA   CYS  17           HA       CYS  17  -2.799  -0.937   1.790
  107   1HB   CYS  17          2HB       CYS  17  -3.303  -3.075  -0.227
  108   2HB   CYS  17          3HB       CYS  17  -4.092  -1.600  -0.549
  109    H    GLY  18           HN       GLY  18  -5.457  -2.924   2.744
  110   1HA   GLY  18          1HA       GLY  18  -7.655  -1.440   1.742
  111   2HA   GLY  18          2HA       GLY  18  -7.581  -2.421   3.211
  112    OH   TYR  19           OH       TYR  19  -4.011  -2.853   9.626
  113    H    TYR  19           HN       TYR  19  -5.196  -0.595   4.195
  114    HA   TYR  19           HA       TYR  19  -6.825   1.305   5.612
  115   1HB   TYR  19          2HB       TYR  19  -3.830   1.242   5.104
  116   2HB   TYR  19          3HB       TYR  19  -4.662   2.252   6.288
  117    HD1  TYR  19           HD2      TYR  19  -6.521   0.345   7.634
  118    HD2  TYR  19           HD1      TYR  19  -2.380  -0.019   6.514
  119    HE1  TYR  19           HE2      TYR  19  -6.222  -1.491   9.242
  120    HE2  TYR  19           HE1      TYR  19  -2.192  -2.060   7.873
  121    HH   TYR  19           HH       TYR  19  -3.118  -2.866  10.000
  122    H    CYS  20           HN       CYS  20  -5.142   1.335   2.524
  123    HA   CYS  20           HA       CYS  20  -5.512   4.238   2.011
  124   1HB   CYS  20          2HB       CYS  20  -4.423   2.020   0.244
  125   2HB   CYS  20          3HB       CYS  20  -4.491   3.726  -0.086
  126    H    GLN  21           HN       GLN  21  -6.791   4.877   0.152
  127    HA   GLN  21           HA       GLN  21  -8.792   2.869  -0.681
  128   1HB   GLN  21          2HB       GLN  21  -9.522   5.787  -0.135
  129   2HB   GLN  21          3HB       GLN  21 -10.611   4.414  -0.190
  130   1HG   GLN  21          2HG       GLN  21  -8.644   5.108   2.059
  131   2HG   GLN  21          3HG       GLN  21 -10.384   5.373   2.061
  132   1HE2  GLN  21          2HE2      GLN  21  -9.165   1.893   3.483
  133   2HE2  GLN  21          1HE2      GLN  21  -8.345   3.429   3.589
  134    H    GLY  22           HN       GLY  22  -9.840   3.228  -2.689
  135   1HA   GLY  22          1HA       GLY  22  -9.987   3.909  -4.835
  136   2HA   GLY  22          2HA       GLY  22  -9.961   5.522  -4.155
  137    HA   PRO  23           HA       PRO  23  -6.333   5.741  -6.832
  138   1HB   PRO  23          2HB       PRO  23  -5.251   8.121  -6.017
  139   2HB   PRO  23          3HB       PRO  23  -6.716   8.014  -7.029
  140   1HG   PRO  23          2HG       PRO  23  -6.572   8.394  -4.020
  141   2HG   PRO  23          3HG       PRO  23  -7.557   9.301  -5.188
  142   1HD   PRO  23          2HD       PRO  23  -8.597   7.236  -3.779
  143   2HD   PRO  23          3HD       PRO  23  -9.041   7.481  -5.501
  144    H    LEU  24           HN       LEU  24  -6.062   6.531  -3.355
  145    HA   LEU  24           HA       LEU  24  -3.320   5.820  -3.167
  146   1HB   LEU  24          2HB       LEU  24  -5.535   6.378  -1.177
  147   2HB   LEU  24          3HB       LEU  24  -3.996   5.703  -0.638
  148    HG   LEU  24           HG       LEU  24  -4.218   8.272  -2.212
  149   1HD1  LEU  24          2HD1      LEU  24  -3.644   7.662   0.708
  150   2HD1  LEU  24          3HD1      LEU  24  -3.565   9.262  -0.064
  151   3HD1  LEU  24          1HD1      LEU  24  -5.127   8.411   0.057
  152   1HD2  LEU  24          1HD2      LEU  24  -1.923   6.641  -1.055
  153   2HD2  LEU  24          2HD2      LEU  24  -2.034   7.401  -2.665
  154   3HD2  LEU  24          3HD2      LEU  24  -1.801   8.400  -1.240
  155    OH   TYR  25           OH       TYR  25  -6.832  -4.319  -3.193
  156    H    TYR  25           HN       TYR  25  -6.264   3.891  -2.890
  157    HA   TYR  25           HA       TYR  25  -4.986   1.516  -1.799
  158   1HB   TYR  25          2HB       TYR  25  -7.386   1.642  -1.962
  159   2HB   TYR  25          3HB       TYR  25  -7.314   1.756  -3.714
  160    HD1  TYR  25           HD2      TYR  25  -6.682  -0.470  -0.796
  161    HD2  TYR  25           HD1      TYR  25  -6.893  -0.204  -5.089
  162    HE1  TYR  25           HE2      TYR  25  -6.526  -2.938  -0.960
  163    HE2  TYR  25           HE1      TYR  25  -6.749  -2.655  -5.257
  164    HH   TYR  25           HH       TYR  25  -6.851  -4.624  -4.115
  165    H    MET  26           HN       MET  26  -5.550   2.672  -5.195
  166    HA   MET  26           HA       MET  26  -4.032   0.519  -6.283
  167   1HB   MET  26          2HB       MET  26  -5.210   3.086  -7.280
  168   2HB   MET  26          3HB       MET  26  -3.980   2.312  -8.272
  169   1HG   MET  26          2HG       MET  26  -6.137   0.520  -7.203
  170   2HG   MET  26          3HG       MET  26  -6.603   1.680  -8.423
  171   1HE   MET  26          1HE       MET  26  -4.167  -1.352  -7.658
  172   2HE   MET  26          2HE       MET  26  -3.402  -1.577  -9.239
  173   3HE   MET  26          3HE       MET  26  -3.037  -0.125  -8.305
  174    H    THR  27           HN       THR  27  -3.033   3.778  -5.224
  175    HA   THR  27           HA       THR  27  -0.427   3.464  -6.320
  176    HB   THR  27           HB       THR  27  -1.707   5.429  -4.475
  177    HG1  THR  27          1HG       THR  27  -0.002   6.056  -6.579
  178   1HG2  THR  27          1HG2      THR  27   1.303   5.267  -4.762
  179   2HG2  THR  27          2HG2      THR  27   0.406   6.719  -4.291
  180   3HG2  THR  27          3HG2      THR  27   0.333   5.276  -3.282
  181    H    CYS  28           HN       CYS  28  -1.594   2.996  -2.954
  182    HA   CYS  28           HA       CYS  28   0.894   2.083  -1.985
  183   1HB   CYS  28          2HB       CYS  28  -0.306   1.323  -0.105
  184   2HB   CYS  28          3HB       CYS  28  -1.219   2.695  -0.783
  185    H    ILE  29           HN       ILE  29  -1.683   0.398  -3.923
  186    HA   ILE  29           HA       ILE  29  -0.510  -2.104  -3.548
  187    HB   ILE  29           HB       ILE  29  -2.295  -1.068  -5.731
  188   1HG1  ILE  29          2HG1      ILE  29  -3.322  -1.603  -3.506
  189   2HG1  ILE  29          3HG1      ILE  29  -3.895  -2.621  -4.821
  190   1HG2  ILE  29          3HG2      ILE  29  -0.868  -3.736  -5.557
  191   2HG2  ILE  29          1HG2      ILE  29  -2.373  -3.514  -6.467
  192   3HG2  ILE  29          2HG2      ILE  29  -0.916  -2.618  -6.921
  193   1HD1  ILE  29          2HD1      ILE  29  -2.284  -4.410  -4.002
  194   2HD1  ILE  29          3HD1      ILE  29  -1.915  -3.365  -2.623
  195   3HD1  ILE  29          1HD1      ILE  29  -3.563  -3.950  -2.863
  196    H    GLY  30           HN       GLY  30  -0.246   0.188  -6.229
  197   1HA   GLY  30          1HA       GLY  30   1.696  -1.065  -7.723
  198   2HA   GLY  30          2HA       GLY  30   1.428   0.689  -7.684
  199    H    ILE  31           HN       ILE  31   2.238   0.592  -4.688
  200    HA   ILE  31           HA       ILE  31   5.202   0.423  -5.037
  201    HB   ILE  31           HB       ILE  31   3.270   1.611  -3.011
  202   1HG1  ILE  31          2HG1      ILE  31   5.860   2.776  -4.127
  203   2HG1  ILE  31          3HG1      ILE  31   4.379   2.761  -5.097
  204   1HG2  ILE  31          2HG2      ILE  31   6.175   0.883  -2.479
  205   2HG2  ILE  31          3HG2      ILE  31   5.293   2.113  -1.552
  206   3HG2  ILE  31          1HG2      ILE  31   4.753   0.442  -1.510
  207   1HD1  ILE  31          2HD1      ILE  31   3.167   3.992  -3.323
  208   2HD1  ILE  31          3HD1      ILE  31   4.695   4.142  -2.415
  209   3HD1  ILE  31          1HD1      ILE  31   4.531   4.892  -4.009
  210    H    THR  32           HN       THR  32   2.777  -0.899  -2.791
  211    HA   THR  32           HA       THR  32   4.550  -2.544  -1.422
  212    HB   THR  32           HB       THR  32   2.456  -3.878  -0.818
  213    HG1  THR  32          1HG       THR  32   1.294  -2.111  -2.669
  214   1HG2  THR  32          1HG2      THR  32   2.978  -1.021  -0.416
  215   2HG2  THR  32          2HG2      THR  32   1.234  -1.347  -0.364
  216   3HG2  THR  32          3HG2      THR  32   2.294  -2.190   0.734
  217    H    THR  33           HN       THR  33   2.656  -3.328  -4.284
  218    HA   THR  33           HA       THR  33   3.626  -6.085  -4.331
  219    HB   THR  33           HB       THR  33   2.107  -6.350  -6.173
  220    HG1  THR  33          1HG       THR  33   1.753  -3.534  -6.014
  221   1HG2  THR  33          3HG2      THR  33   1.214  -6.352  -3.912
  222   2HG2  THR  33          1HG2      THR  33   0.789  -4.629  -4.101
  223   3HG2  THR  33          2HG2      THR  33   0.046  -5.858  -5.145
  224    H    ASP  34           HN       ASP  34   5.305  -3.254  -4.937
  225    HA   ASP  34           HA       ASP  34   6.194  -3.998  -7.647
  226   1HB   ASP  34          2HB       ASP  34   5.712  -1.673  -7.052
  227   2HB   ASP  34          3HB       ASP  34   7.066  -1.661  -5.916
  228    HA   PRO  35           HA       PRO  35   9.830  -6.005  -5.975
  229   1HB   PRO  35          2HB       PRO  35  11.620  -5.684  -8.074
  230   2HB   PRO  35          3HB       PRO  35  10.323  -6.910  -7.992
  231   1HG   PRO  35          2HG       PRO  35  10.254  -4.181  -9.297
  232   2HG   PRO  35          3HG       PRO  35   9.741  -5.713 -10.045
  233   1HD   PRO  35          2HD       PRO  35   7.949  -4.066  -9.025
  234   2HD   PRO  35          3HD       PRO  35   7.757  -5.771  -8.602
  235    H    GLU  36           HN       GLU  36   9.673  -2.537  -6.381
  236    HA   GLU  36           HA       GLU  36  12.272  -2.157  -5.241
  237   1HB   GLU  36          2HB       GLU  36  10.818  -0.440  -6.553
  238   2HB   GLU  36          3HB       GLU  36   9.862  -0.290  -5.066
  239   1HG   GLU  36          2HG       GLU  36  11.972   0.321  -3.876
  240   2HG   GLU  36          3HG       GLU  36  12.848   0.129  -5.419
  241    H    CYS  37           HN       CYS  37   9.446  -3.353  -4.038
  242    HA   CYS  37           HA       CYS  37   9.685  -2.622  -1.279
  243   1HB   CYS  37          2HB       CYS  37   7.620  -3.552  -1.961
  244   2HB   CYS  37          3HB       CYS  37   8.345  -5.050  -2.489
  245    H    GLY  38           HN       GLY  38  11.472  -2.871  -0.297
  246   1HA   GLY  38          1HA       GLY  38  13.002  -3.958   1.062
  247   2HA   GLY  38          2HA       GLY  38  12.021  -5.399   0.784
  248    H    LEU  39           HN       LEU  39  13.919  -3.549  -1.634
  249    HA   LEU  39           HA       LEU  39  14.829  -6.070  -2.695
  250   1HB   LEU  39          2HB       LEU  39  13.996  -3.913  -3.870
  251   2HB   LEU  39          3HB       LEU  39  15.664  -3.363  -3.729
  252    HG   LEU  39           HG       LEU  39  14.832  -4.407  -5.868
  253   1HD1  LEU  39          2HD1      LEU  39  17.136  -3.960  -5.577
  254   2HD1  LEU  39          3HD1      LEU  39  17.397  -5.485  -4.729
  255   3HD1  LEU  39          1HD1      LEU  39  16.938  -5.493  -6.440
  256   1HD2  LEU  39          1HD2      LEU  39  13.618  -6.325  -4.900
  257   2HD2  LEU  39          2HD2      LEU  39  14.669  -6.689  -6.275
  258   3HD2  LEU  39          3HD2      LEU  39  15.165  -7.139  -4.645
  259    HA   PRO  40           HA       PRO  40  18.655  -5.672  -0.334
  260   1HB   PRO  40          2HB       PRO  40  20.006  -7.879  -1.095
  261   2HB   PRO  40          3HB       PRO  40  18.515  -7.953  -0.121
  262   1HG   PRO  40          2HG       PRO  40  18.841  -8.465  -3.065
  263   2HG   PRO  40          3HG       PRO  40  17.805  -9.331  -1.898
  264   1HD   PRO  40          2HD       PRO  40  17.056  -7.286  -3.648
  265   2HD   PRO  40          3HD       PRO  40  16.071  -7.767  -2.263
   
  Start of MODEL           6
 Raw file had  265 H/Q atoms
  Start of MODEL    6
    1   1H    ASP   1          1HN       ASP   1  -8.916   2.512  10.706
    2   2H    ASP   1          2HN       ASP   1  -9.354   1.729   9.335
    3   3H    ASP   1          3HN       ASP   1 -10.413   1.800  10.615
    4    HA   ASP   1           HA       ASP   1  -9.545   0.035  11.596
    5   1HB   ASP   1          2HB       ASP   1  -7.959   0.002   8.988
    6   2HB   ASP   1          3HB       ASP   1  -7.875  -1.311  10.123
    7    HA   PRO   2           HA       PRO   2  -5.540   0.997  13.597
    8   1HB   PRO   2          2HB       PRO   2  -4.124  -1.389  13.316
    9   2HB   PRO   2          3HB       PRO   2  -5.314  -1.081  14.610
   10   1HG   PRO   2          2HG       PRO   2  -5.771  -2.423  11.910
   11   2HG   PRO   2          3HG       PRO   2  -6.205  -3.076  13.515
   12   1HD   PRO   2          2HD       PRO   2  -8.102  -1.849  12.132
   13   2HD   PRO   2          3HD       PRO   2  -7.867  -1.338  13.806
   14    H    MET   3           HN       MET   3  -3.408   1.421  12.882
   15    HA   MET   3           HA       MET   3  -1.695   1.856  11.444
   16   1HB   MET   3          2HB       MET   3  -1.743  -0.570  11.501
   17   2HB   MET   3          3HB       MET   3  -2.766  -0.609  10.067
   18   1HG   MET   3          2HG       MET   3  -1.013   0.327   8.713
   19   2HG   MET   3          3HG       MET   3   0.022   0.516  10.151
   20   1HE   MET   3          3HE       MET   3   0.000  -1.344   7.164
   21   2HE   MET   3          1HE       MET   3   1.582  -1.111   7.970
   22   3HE   MET   3          2HE       MET   3   0.987  -2.744   7.622
   23    H    THR   4           HN       THR   4  -1.097   3.030   9.669
   24    HA   THR   4           HA       THR   4  -3.390   4.333   8.432
   25    HB   THR   4           HB       THR   4  -1.706   6.013   7.777
   26    HG1  THR   4          1HG       THR   4   0.397   5.714   8.648
   27   1HG2  THR   4          3HG2      THR   4  -1.530   5.190  10.718
   28   2HG2  THR   4          1HG2      THR   4  -1.083   6.770  10.057
   29   3HG2  THR   4          2HG2      THR   4  -2.766   6.239  10.005
   30    H    CYS   5           HN       CYS   5  -3.377   4.958   6.260
   31    HA   CYS   5           HA       CYS   5  -2.922   3.115   4.178
   32   1HB   CYS   5          2HB       CYS   5  -4.300   5.052   3.822
   33   2HB   CYS   5          3HB       CYS   5  -3.016   6.164   4.303
   34    H    GLU   6           HN       GLU   6  -0.856   5.758   5.446
   35    HA   GLU   6           HA       GLU   6   1.342   5.347   3.691
   36   1HB   GLU   6          2HB       GLU   6   1.172   7.303   5.103
   37   2HB   GLU   6          3HB       GLU   6   1.292   6.325   6.574
   38   1HG   GLU   6          2HG       GLU   6   3.627   5.801   5.998
   39   2HG   GLU   6          3HG       GLU   6   3.432   6.537   4.410
   40    H    GLN   7           HN       GLN   7   0.698   4.039   7.018
   41    HA   GLN   7           HA       GLN   7   3.009   2.427   7.107
   42   1HB   GLN   7          2HB       GLN   7   0.376   2.341   8.567
   43   2HB   GLN   7          3HB       GLN   7   1.513   0.993   8.631
   44   1HG   GLN   7          2HG       GLN   7   1.759   2.532  10.476
   45   2HG   GLN   7          3HG       GLN   7   3.233   2.192   9.560
   46   1HE2  GLN   7          2HE2      GLN   7   3.568   5.649   8.370
   47   2HE2  GLN   7          1HE2      GLN   7   3.853   4.014   7.856
   48    H    ALA   8           HN       ALA   8  -0.194   1.547   5.685
   49    HA   ALA   8           HA       ALA   8   0.552  -1.108   4.995
   50   1HB   ALA   8          1HB       ALA   8  -1.719  -0.282   4.710
   51   2HB   ALA   8          2HB       ALA   8  -1.200   0.749   3.359
   52   3HB   ALA   8          3HB       ALA   8  -1.063  -1.025   3.250
   53    H    MET   9           HN       MET   9   1.153   1.955   3.162
   54    HA   MET   9           HA       MET   9   2.570   0.667   1.047
   55   1HB   MET   9          2HB       MET   9   3.133   3.463   2.168
   56   2HB   MET   9          3HB       MET   9   3.572   2.860   0.580
   57   1HG   MET   9          2HG       MET   9   1.438   3.089  -0.225
   58   2HG   MET   9          3HG       MET   9   0.664   3.148   1.369
   59   1HE   MET   9          1HE       MET   9  -0.729   5.155   0.175
   60   2HE   MET   9          2HE       MET   9   0.048   6.645  -0.416
   61   3HE   MET   9          3HE       MET   9   0.291   5.100  -1.271
   62    H    ALA  10           HN       ALA  10   3.780   2.388   3.789
   63    HA   ALA  10           HA       ALA  10   6.522   2.105   3.427
   64   1HB   ALA  10          3HB       ALA  10   5.259   3.774   4.797
   65   2HB   ALA  10          1HB       ALA  10   4.801   2.478   5.908
   66   3HB   ALA  10          2HB       ALA  10   6.506   2.942   5.777
   67    H    SER  11           HN       SER  11   4.202  -0.072   4.724
   68    HA   SER  11           HA       SER  11   6.220  -1.811   6.091
   69   1HB   SER  11          2HB       SER  11   4.362  -3.274   6.642
   70   2HB   SER  11          3HB       SER  11   4.008  -1.608   7.130
   71    HG   SER  11           HG       SER  11   2.742  -1.388   5.271
   72    H    CYS  12           HN       CYS  12   4.707  -1.438   2.970
   73    HA   CYS  12           HA       CYS  12   4.958  -2.490   1.072
   74   1HB   CYS  12          2HB       CYS  12   7.316  -3.266   1.834
   75   2HB   CYS  12          3HB       CYS  12   6.521  -4.842   2.078
   76    H    GLU  13           HN       GLU  13   2.933  -3.075   3.318
   77    HA   GLU  13           HA       GLU  13   2.360  -5.944   2.840
   78   1HB   GLU  13          2HB       GLU  13   2.574  -5.056   5.138
   79   2HB   GLU  13          3HB       GLU  13   1.081  -4.132   4.910
   80   1HG   GLU  13          2HG       GLU  13  -0.220  -6.141   4.731
   81   2HG   GLU  13          3HG       GLU  13   1.171  -7.127   4.351
   82    H    HIS  14           HN       HIS  14   1.713  -5.606   0.679
   83    HA   HIS  14           HA       HIS  14  -0.391  -3.980  -0.252
   84   1HB   HIS  14          2HB       HIS  14  -0.130  -4.983  -2.149
   85   2HB   HIS  14          3HB       HIS  14   1.210  -5.873  -1.433
   86    HD1  HIS  14           HD1      HIS  14  -2.652  -6.284  -1.797
   87    HD2  HIS  14           HD2      HIS  14   0.926  -8.477  -1.754
   88    HE1  HIS  14           HE1      HIS  14  -3.287  -8.697  -2.280
   89    H    THR  15           HN       THR  15  -0.635  -6.966   1.724
   90    HA   THR  15           HA       THR  15  -3.308  -7.441   0.836
   91    HB   THR  15           HB       THR  15  -3.316  -9.013   2.784
   92    HG1  THR  15          1HG       THR  15  -1.490  -9.086   4.053
   93   1HG2  THR  15          2HG2      THR  15  -2.439  -9.676   0.551
   94   2HG2  THR  15          3HG2      THR  15  -0.820  -9.118   1.012
   95   3HG2  THR  15          1HG2      THR  15  -1.557 -10.481   1.864
   96    H    MET  16           HN       MET  16  -1.868  -5.411   3.431
   97    HA   MET  16           HA       MET  16  -4.499  -4.583   4.429
   98   1HB   MET  16          2HB       MET  16  -1.655  -4.591   5.308
   99   2HB   MET  16          3HB       MET  16  -2.612  -3.270   5.812
  100   1HG   MET  16          2HG       MET  16  -2.726  -5.052   7.454
  101   2HG   MET  16          3HG       MET  16  -4.324  -4.702   6.774
  102   1HE   MET  16          2HE       MET  16  -5.636  -6.328   5.082
  103   2HE   MET  16          3HE       MET  16  -5.639  -7.992   5.668
  104   3HE   MET  16          1HE       MET  16  -5.900  -6.657   6.811
  105    H    CYS  17           HN       CYS  17  -3.033  -3.804   1.692
  106    HA   CYS  17           HA       CYS  17  -2.765  -0.987   1.800
  107   1HB   CYS  17          2HB       CYS  17  -3.110  -3.016  -0.288
  108   2HB   CYS  17          3HB       CYS  17  -3.938  -1.561  -0.639
  109    H    GLY  18           HN       GLY  18  -5.575  -2.800   2.501
  110   1HA   GLY  18          1HA       GLY  18  -7.630  -1.046   1.584
  111   2HA   GLY  18          2HA       GLY  18  -7.703  -2.174   2.956
  112    OH   TYR  19           OH       TYR  19  -4.623  -3.514   9.084
  113    H    TYR  19           HN       TYR  19  -5.177  -0.583   4.092
  114    HA   TYR  19           HA       TYR  19  -6.660   1.402   5.587
  115   1HB   TYR  19          2HB       TYR  19  -3.677   1.054   5.158
  116   2HB   TYR  19          3HB       TYR  19  -4.466   2.066   6.377
  117    HD1  TYR  19           HD2      TYR  19  -6.709  -0.087   7.043
  118    HD2  TYR  19           HD1      TYR  19  -2.395  -0.257   6.817
  119    HE1  TYR  19           HE2      TYR  19  -6.732  -2.147   8.317
  120    HE2  TYR  19           HE1      TYR  19  -2.464  -2.392   8.084
  121    HH   TYR  19           HH       TYR  19  -5.520  -3.854   9.144
  122    H    CYS  20           HN       CYS  20  -5.004   1.422   2.489
  123    HA   CYS  20           HA       CYS  20  -5.505   4.347   2.052
  124   1HB   CYS  20          2HB       CYS  20  -4.358   2.201   0.273
  125   2HB   CYS  20          3HB       CYS  20  -4.541   3.907  -0.078
  126    H    GLN  21           HN       GLN  21  -6.847   4.815   0.079
  127    HA   GLN  21           HA       GLN  21  -8.741   2.700  -0.669
  128   1HB   GLN  21          2HB       GLN  21  -9.831   5.453  -0.066
  129   2HB   GLN  21          3HB       GLN  21 -10.675   3.916  -0.186
  130   1HG   GLN  21          2HG       GLN  21 -10.781   4.498   2.044
  131   2HG   GLN  21          3HG       GLN  21  -9.517   3.270   2.019
  132   1HE2  GLN  21          2HE2      GLN  21  -8.198   5.859   4.243
  133   2HE2  GLN  21          1HE2      GLN  21  -9.324   4.497   4.232
  134    H    GLY  22           HN       GLY  22 -10.064   3.297  -2.565
  135   1HA   GLY  22          1HA       GLY  22  -9.868   3.509  -4.825
  136   2HA   GLY  22          2HA       GLY  22 -10.054   5.186  -4.344
  137    HA   PRO  23           HA       PRO  23  -6.356   5.563  -6.894
  138   1HB   PRO  23          2HB       PRO  23  -5.509   8.106  -6.165
  139   2HB   PRO  23          3HB       PRO  23  -6.870   7.775  -7.271
  140   1HG   PRO  23          2HG       PRO  23  -6.958   8.376  -4.308
  141   2HG   PRO  23          3HG       PRO  23  -7.953   9.088  -5.605
  142   1HD   PRO  23          2HD       PRO  23  -8.840   7.064  -4.035
  143   2HD   PRO  23          3HD       PRO  23  -9.272   7.102  -5.768
  144    H    LEU  24           HN       LEU  24  -6.219   6.459  -3.439
  145    HA   LEU  24           HA       LEU  24  -3.411   6.025  -3.218
  146   1HB   LEU  24          2HB       LEU  24  -5.691   6.383  -1.253
  147   2HB   LEU  24          3HB       LEU  24  -4.096   5.885  -0.694
  148    HG   LEU  24           HG       LEU  24  -4.567   8.388  -2.335
  149   1HD1  LEU  24          3HD1      LEU  24  -5.518   8.367  -0.032
  150   2HD1  LEU  24          1HD1      LEU  24  -3.897   7.944   0.590
  151   3HD1  LEU  24          2HD1      LEU  24  -4.165   9.507  -0.240
  152   1HD2  LEU  24          1HD2      LEU  24  -2.169   7.009  -1.083
  153   2HD2  LEU  24          2HD2      LEU  24  -2.293   7.733  -2.707
  154   3HD2  LEU  24          3HD2      LEU  24  -2.193   8.772  -1.282
  155    OH   TYR  25           OH       TYR  25  -7.610  -4.178  -2.562
  156    H    TYR  25           HN       TYR  25  -6.208   3.924  -2.837
  157    HA   TYR  25           HA       TYR  25  -4.841   1.626  -1.739
  158   1HB   TYR  25          2HB       TYR  25  -7.219   1.767  -1.799
  159   2HB   TYR  25          3HB       TYR  25  -7.272   1.857  -3.546
  160    HD1  TYR  25           HD2      TYR  25  -4.940  -0.555  -2.133
  161    HD2  TYR  25           HD1      TYR  25  -9.040   0.073  -3.262
  162    HE1  TYR  25           HE2      TYR  25  -5.372  -2.984  -1.927
  163    HE2  TYR  25           HE1      TYR  25  -9.392  -2.380  -3.296
  164    HH   TYR  25           HH       TYR  25  -8.230  -4.506  -3.228
  165    H    MET  26           HN       MET  26  -5.521   2.667  -5.154
  166    HA   MET  26           HA       MET  26  -4.007   0.560  -6.287
  167   1HB   MET  26          2HB       MET  26  -4.732   3.350  -7.304
  168   2HB   MET  26          3HB       MET  26  -4.095   2.029  -8.271
  169   1HG   MET  26          2HG       MET  26  -6.237   0.896  -6.780
  170   2HG   MET  26          3HG       MET  26  -6.820   2.455  -7.328
  171   1HE   MET  26          3HE       MET  26  -5.529  -1.008  -8.004
  172   2HE   MET  26          1HE       MET  26  -5.617  -1.226  -9.761
  173   3HE   MET  26          2HE       MET  26  -4.363  -0.177  -9.059
  174    H    THR  27           HN       THR  27  -3.031   3.826  -5.200
  175    HA   THR  27           HA       THR  27  -0.460   3.588  -6.276
  176    HB   THR  27           HB       THR  27  -1.674   5.394  -4.216
  177    HG1  THR  27          1HG       THR  27  -0.480   5.638  -6.805
  178   1HG2  THR  27          1HG2      THR  27   1.226   5.488  -5.123
  179   2HG2  THR  27          2HG2      THR  27   0.385   6.767  -4.228
  180   3HG2  THR  27          3HG2      THR  27   0.674   5.200  -3.468
  181    H    CYS  28           HN       CYS  28  -1.538   3.019  -2.959
  182    HA   CYS  28           HA       CYS  28   1.004   2.086  -2.002
  183   1HB   CYS  28          2HB       CYS  28  -0.159   1.374  -0.087
  184   2HB   CYS  28          3HB       CYS  28  -1.071   2.778  -0.693
  185    H    ILE  29           HN       ILE  29  -1.619   0.449  -3.920
  186    HA   ILE  29           HA       ILE  29  -0.445  -2.041  -3.469
  187    HB   ILE  29           HB       ILE  29  -2.318  -1.020  -5.592
  188   1HG1  ILE  29          2HG1      ILE  29  -3.161  -1.512  -3.282
  189   2HG1  ILE  29          3HG1      ILE  29  -3.896  -2.485  -4.552
  190   1HG2  ILE  29          1HG2      ILE  29  -0.929  -3.702  -5.437
  191   2HG2  ILE  29          2HG2      ILE  29  -2.443  -3.435  -6.343
  192   3HG2  ILE  29          3HG2      ILE  29  -0.952  -2.585  -6.799
  193   1HD1  ILE  29          3HD1      ILE  29  -2.328  -4.362  -3.879
  194   2HD1  ILE  29          1HD1      ILE  29  -1.764  -3.338  -2.544
  195   3HD1  ILE  29          2HD1      ILE  29  -3.444  -3.840  -2.607
  196    H    GLY  30           HN       GLY  30  -0.179   0.224  -6.098
  197   1HA   GLY  30          1HA       GLY  30   1.743  -0.691  -7.807
  198   2HA   GLY  30          2HA       GLY  30   1.684   0.987  -7.235
  199    H    ILE  31           HN       ILE  31   2.359   0.939  -4.712
  200    HA   ILE  31           HA       ILE  31   5.234   0.474  -4.743
  201    HB   ILE  31           HB       ILE  31   3.160   1.335  -2.662
  202   1HG1  ILE  31          2HG1      ILE  31   5.715   2.755  -3.566
  203   2HG1  ILE  31          3HG1      ILE  31   4.203   2.840  -4.475
  204   1HG2  ILE  31          1HG2      ILE  31   6.120   0.864  -2.101
  205   2HG2  ILE  31          2HG2      ILE  31   4.992   1.725  -1.028
  206   3HG2  ILE  31          3HG2      ILE  31   4.768   0.020  -1.322
  207   1HD1  ILE  31          3HD1      ILE  31   3.014   3.766  -2.532
  208   2HD1  ILE  31          1HD1      ILE  31   4.544   3.816  -1.620
  209   3HD1  ILE  31          2HD1      ILE  31   4.350   4.787  -3.088
  210    H    THR  32           HN       THR  32   2.724  -1.073  -2.739
  211    HA   THR  32           HA       THR  32   4.585  -2.802  -1.535
  212    HB   THR  32           HB       THR  32   2.599  -3.921  -0.604
  213    HG1  THR  32          1HG       THR  32   1.242  -2.100  -2.313
  214   1HG2  THR  32          2HG2      THR  32   3.565  -1.431  -0.031
  215   2HG2  THR  32          3HG2      THR  32   1.927  -0.994  -0.454
  216   3HG2  THR  32          1HG2      THR  32   2.195  -2.167   0.836
  217    H    THR  33           HN       THR  33   2.898  -3.185  -4.523
  218    HA   THR  33           HA       THR  33   3.704  -6.041  -4.676
  219    HB   THR  33           HB       THR  33   1.985  -6.378  -6.225
  220    HG1  THR  33          1HG       THR  33   2.098  -4.182  -7.241
  221   1HG2  THR  33          3HG2      THR  33   1.422  -6.194  -3.784
  222   2HG2  THR  33          1HG2      THR  33   0.893  -4.526  -4.073
  223   3HG2  THR  33          2HG2      THR  33   0.034  -5.850  -4.818
  224    H    ASP  34           HN       ASP  34   5.193  -3.183  -5.121
  225    HA   ASP  34           HA       ASP  34   6.394  -3.851  -7.735
  226   1HB   ASP  34          2HB       ASP  34   6.163  -1.472  -6.921
  227   2HB   ASP  34          3HB       ASP  34   7.340  -1.858  -5.658
  228    HA   PRO  35           HA       PRO  35   9.259  -6.624  -5.674
  229   1HB   PRO  35          2HB       PRO  35  11.432  -6.524  -7.390
  230   2HB   PRO  35          3HB       PRO  35   9.976  -7.526  -7.613
  231   1HG   PRO  35          2HG       PRO  35  10.590  -4.862  -8.883
  232   2HG   PRO  35          3HG       PRO  35   9.848  -6.305  -9.620
  233   1HD   PRO  35          2HD       PRO  35   8.404  -4.177  -8.803
  234   2HD   PRO  35          3HD       PRO  35   7.734  -5.823  -8.628
  235    H    GLU  36           HN       GLU  36  10.434  -3.303  -6.854
  236    HA   GLU  36           HA       GLU  36  12.741  -3.434  -5.191
  237   1HB   GLU  36          2HB       GLU  36  11.497  -1.157  -6.777
  238   2HB   GLU  36          3HB       GLU  36  13.117  -1.339  -6.163
  239   1HG   GLU  36          2HG       GLU  36  13.472  -3.315  -7.596
  240   2HG   GLU  36          3HG       GLU  36  11.868  -3.046  -8.344
  241    H    CYS  37           HN       CYS  37   9.827  -3.317  -4.074
  242    HA   CYS  37           HA       CYS  37   8.991  -0.990  -2.915
  243   1HB   CYS  37          2HB       CYS  37   7.802  -3.175  -2.979
  244   2HB   CYS  37          3HB       CYS  37   8.871  -3.785  -1.704
  245    H    GLY  38           HN       GLY  38  11.149   0.004  -2.339
  246   1HA   GLY  38          1HA       GLY  38  12.933   0.528  -1.015
  247   2HA   GLY  38          2HA       GLY  38  11.946   0.134   0.401
  248    H    LEU  39           HN       LEU  39  12.996  -1.878  -2.347
  249    HA   LEU  39           HA       LEU  39  14.033  -3.911  -0.468
  250   1HB   LEU  39          2HB       LEU  39  12.221  -4.434  -2.255
  251   2HB   LEU  39          3HB       LEU  39  13.572  -4.358  -3.399
  252    HG   LEU  39           HG       LEU  39  14.755  -6.012  -1.846
  253   1HD1  LEU  39          1HD1      LEU  39  11.888  -6.449  -0.867
  254   2HD1  LEU  39          2HD1      LEU  39  13.273  -7.501  -0.513
  255   3HD1  LEU  39          3HD1      LEU  39  13.228  -5.861   0.131
  256   1HD2  LEU  39          1HD2      LEU  39  13.768  -6.572  -4.076
  257   2HD2  LEU  39          2HD2      LEU  39  13.743  -7.923  -2.933
  258   3HD2  LEU  39          3HD2      LEU  39  12.257  -7.016  -3.256
  259    HA   PRO  40           HA       PRO  40  17.978  -2.442  -2.218
  260   1HB   PRO  40          2HB       PRO  40  19.680  -3.305  -0.353
  261   2HB   PRO  40          3HB       PRO  40  18.427  -2.117   0.065
  262   1HG   PRO  40          2HG       PRO  40  18.248  -5.102   0.530
  263   2HG   PRO  40          3HG       PRO  40  17.968  -3.761   1.684
  264   1HD   PRO  40          2HD       PRO  40  15.948  -4.984   0.253
  265   2HD   PRO  40          3HD       PRO  40  15.890  -3.269   0.768
   
  Start of MODEL           7
 Raw file had  265 H/Q atoms
  Start of MODEL    7
    1   1H    ASP   1          3HN       ASP   1  -8.017   4.626  14.740
    2   2H    ASP   1          1HN       ASP   1  -9.295   5.220  13.904
    3   3H    ASP   1          2HN       ASP   1  -9.130   3.608  14.144
    4    HA   ASP   1           HA       ASP   1  -8.415   3.787  11.960
    5   1HB   ASP   1          2HB       ASP   1  -6.864   6.237  12.840
    6   2HB   ASP   1          3HB       ASP   1  -6.726   5.459  11.261
    7    HA   PRO   2           HA       PRO   2  -5.143   1.229  13.876
    8   1HB   PRO   2          2HB       PRO   2  -5.567  -0.172  11.253
    9   2HB   PRO   2          3HB       PRO   2  -5.417  -0.898  12.876
   10   1HG   PRO   2          2HG       PRO   2  -7.843  -0.714  11.723
   11   2HG   PRO   2          3HG       PRO   2  -7.650  -0.239  13.441
   12   1HD   PRO   2          2HD       PRO   2  -7.648   1.588  11.002
   13   2HD   PRO   2          3HD       PRO   2  -8.606   1.695  12.508
   14    H    MET   3           HN       MET   3  -3.391  -0.088  12.089
   15    HA   MET   3           HA       MET   3  -1.289   1.558  11.394
   16   1HB   MET   3          2HB       MET   3  -1.292  -0.904  11.265
   17   2HB   MET   3          3HB       MET   3  -2.360  -0.825   9.850
   18   1HG   MET   3          2HG       MET   3  -0.661   0.280   8.544
   19   2HG   MET   3          3HG       MET   3   0.318   0.542  10.011
   20   1HE   MET   3          3HE       MET   3  -0.939  -2.214   7.475
   21   2HE   MET   3          1HE       MET   3   0.048  -3.600   8.000
   22   3HE   MET   3          2HE       MET   3  -1.242  -2.999   9.063
   23    H    THR   4           HN       THR   4  -1.035   3.242  10.117
   24    HA   THR   4           HA       THR   4  -3.241   4.153   8.580
   25    HB   THR   4           HB       THR   4  -1.549   6.027   7.977
   26    HG1  THR   4          1HG       THR   4  -0.108   4.673  10.019
   27   1HG2  THR   4          3HG2      THR   4  -2.204   5.341  10.882
   28   2HG2  THR   4          1HG2      THR   4  -1.656   6.927  10.289
   29   3HG2  THR   4          2HG2      THR   4  -3.208   6.259   9.752
   30    H    CYS   5           HN       CYS   5  -3.272   4.949   6.447
   31    HA   CYS   5           HA       CYS   5  -2.760   3.082   4.413
   32   1HB   CYS   5          2HB       CYS   5  -4.302   4.814   3.981
   33   2HB   CYS   5          3HB       CYS   5  -3.161   6.082   4.424
   34    H    GLU   6           HN       GLU   6  -0.683   5.688   5.653
   35    HA   GLU   6           HA       GLU   6   1.389   5.372   3.640
   36   1HB   GLU   6          2HB       GLU   6   1.471   7.369   4.986
   37   2HB   GLU   6          3HB       GLU   6   1.550   6.426   6.486
   38   1HG   GLU   6          2HG       GLU   6   3.779   7.228   5.997
   39   2HG   GLU   6          3HG       GLU   6   3.794   5.508   5.728
   40    H    GLN   7           HN       GLN   7   1.056   4.114   7.013
   41    HA   GLN   7           HA       GLN   7   3.291   2.472   6.977
   42   1HB   GLN   7          2HB       GLN   7   0.647   2.124   8.439
   43   2HB   GLN   7          3HB       GLN   7   2.034   1.031   8.613
   44   1HG   GLN   7          2HG       GLN   7   1.499   3.371  10.025
   45   2HG   GLN   7          3HG       GLN   7   2.876   2.303  10.165
   46   1HE2  GLN   7          2HE2      GLN   7   3.294   5.925   8.251
   47   2HE2  GLN   7          1HE2      GLN   7   1.694   5.369   8.772
   48    H    ALA   8           HN       ALA   8   0.044   1.597   5.714
   49    HA   ALA   8           HA       ALA   8   0.677  -1.060   4.984
   50   1HB   ALA   8          2HB       ALA   8  -1.581  -0.083   4.732
   51   2HB   ALA   8          3HB       ALA   8  -1.020   0.894   3.365
   52   3HB   ALA   8          1HB       ALA   8  -1.028  -0.875   3.251
   53    H    MET   9           HN       MET   9   1.369   1.985   3.143
   54    HA   MET   9           HA       MET   9   2.577   0.579   0.967
   55   1HB   MET   9          2HB       MET   9   3.297   3.441   1.699
   56   2HB   MET   9          3HB       MET   9   3.256   2.663   0.124
   57   1HG   MET   9          2HG       MET   9   0.594   2.586   0.818
   58   2HG   MET   9          3HG       MET   9   1.157   4.015   1.685
   59   1HE   MET   9          3HE       MET   9  -0.131   5.797   0.533
   60   2HE   MET   9          1HE       MET   9  -0.177   6.051  -1.223
   61   3HE   MET   9          2HE       MET   9  -1.044   4.672  -0.516
   62    H    ALA  10           HN       ALA  10   3.864   2.411   3.623
   63    HA   ALA  10           HA       ALA  10   6.613   2.205   3.070
   64   1HB   ALA  10          2HB       ALA  10   5.075   2.542   5.673
   65   2HB   ALA  10          3HB       ALA  10   6.769   2.984   5.421
   66   3HB   ALA  10          1HB       ALA  10   5.493   3.840   4.548
   67    H    SER  11           HN       SER  11   4.357   0.012   4.601
   68    HA   SER  11           HA       SER  11   6.540  -1.694   5.682
   69   1HB   SER  11          2HB       SER  11   4.485  -1.238   7.085
   70   2HB   SER  11          3HB       SER  11   3.564  -2.204   5.922
   71    HG   SER  11           HG       SER  11   5.204  -3.848   6.270
   72    H    CYS  12           HN       CYS  12   4.835  -1.381   2.686
   73    HA   CYS  12           HA       CYS  12   4.967  -2.689   0.853
   74   1HB   CYS  12          2HB       CYS  12   7.210  -4.103   2.277
   75   2HB   CYS  12          3HB       CYS  12   6.866  -4.105   0.548
   76    H    GLU  13           HN       GLU  13   2.984  -3.432   2.835
   77    HA   GLU  13           HA       GLU  13   2.662  -6.309   2.067
   78   1HB   GLU  13          2HB       GLU  13   1.250  -6.507   4.113
   79   2HB   GLU  13          3HB       GLU  13   3.012  -6.529   4.272
   80   1HG   GLU  13          2HG       GLU  13   3.027  -4.240   5.100
   81   2HG   GLU  13          3HG       GLU  13   1.249  -4.184   5.033
   82    H    HIS  14           HN       HIS  14   1.702  -5.817   0.193
   83    HA   HIS  14           HA       HIS  14  -0.378  -4.041  -0.422
   84   1HB   HIS  14          2HB       HIS  14  -0.550  -5.149  -2.328
   85   2HB   HIS  14          3HB       HIS  14   1.001  -5.808  -1.799
   86    HD1  HIS  14           HD1      HIS  14  -2.745  -6.723  -2.043
   87    HD2  HIS  14           HD2      HIS  14   1.038  -8.448  -1.497
   88    HE1  HIS  14           HE1      HIS  14  -3.122  -9.222  -1.902
   89    H    THR  15           HN       THR  15  -0.539  -7.027   1.461
   90    HA   THR  15           HA       THR  15  -3.231  -7.633   1.087
   91    HB   THR  15           HB       THR  15  -2.986  -8.904   3.157
   92    HG1  THR  15          1HG       THR  15  -1.767  -7.407   4.381
   93   1HG2  THR  15          2HG2      THR  15  -1.927  -9.712   1.050
   94   2HG2  THR  15          3HG2      THR  15  -0.379  -9.008   1.555
   95   3HG2  THR  15          1HG2      THR  15  -1.120 -10.288   2.519
   96    H    MET  16           HN       MET  16  -1.713  -5.195   3.286
   97    HA   MET  16           HA       MET  16  -4.351  -4.601   4.448
   98   1HB   MET  16          2HB       MET  16  -1.510  -4.423   5.269
   99   2HB   MET  16          3HB       MET  16  -2.427  -3.001   5.625
  100   1HG   MET  16          2HG       MET  16  -2.690  -4.462   7.512
  101   2HG   MET  16          3HG       MET  16  -4.231  -4.450   6.660
  102   1HE   MET  16          2HE       MET  16  -1.104  -6.250   7.757
  103   2HE   MET  16          3HE       MET  16  -1.184  -7.861   7.005
  104   3HE   MET  16          1HE       MET  16  -0.827  -6.421   6.018
  105    H    CYS  17           HN       CYS  17  -3.302  -3.807   1.545
  106    HA   CYS  17           HA       CYS  17  -3.067  -1.022   1.514
  107   1HB   CYS  17          2HB       CYS  17  -3.771  -3.168  -0.435
  108   2HB   CYS  17          3HB       CYS  17  -4.485  -1.637  -0.760
  109    H    GLY  18           HN       GLY  18  -5.807  -2.916   2.411
  110   1HA   GLY  18          1HA       GLY  18  -7.993  -1.282   1.705
  111   2HA   GLY  18          2HA       GLY  18  -7.873  -2.341   3.121
  112    OH   TYR  19           OH       TYR  19  -5.334  -2.601   9.788
  113    H    TYR  19           HN       TYR  19  -5.341  -0.549   3.960
  114    HA   TYR  19           HA       TYR  19  -6.890   1.323   5.544
  115   1HB   TYR  19          2HB       TYR  19  -3.913   0.969   5.010
  116   2HB   TYR  19          3HB       TYR  19  -4.568   2.239   6.042
  117    HD1  TYR  19           HD2      TYR  19  -6.584   1.182   7.694
  118    HD2  TYR  19           HD1      TYR  19  -2.940  -0.737   6.411
  119    HE1  TYR  19           HE2      TYR  19  -6.996  -0.643   9.282
  120    HE2  TYR  19           HE1      TYR  19  -3.257  -2.435   8.188
  121    HH   TYR  19           HH       TYR  19  -4.505  -2.915  10.181
  122    H    CYS  20           HN       CYS  20  -5.031   1.486   2.546
  123    HA   CYS  20           HA       CYS  20  -5.568   4.367   2.125
  124   1HB   CYS  20          2HB       CYS  20  -4.496   2.194   0.290
  125   2HB   CYS  20          3HB       CYS  20  -4.581   3.910  -0.034
  126    H    GLN  21           HN       GLN  21  -6.819   4.923   0.054
  127    HA   GLN  21           HA       GLN  21  -8.714   2.911  -0.826
  128   1HB   GLN  21          2HB       GLN  21 -10.723   4.236  -0.204
  129   2HB   GLN  21          3HB       GLN  21  -9.848   3.678   1.217
  130   1HG   GLN  21          2HG       GLN  21  -9.650   5.771   1.970
  131   2HG   GLN  21          3HG       GLN  21  -8.756   6.258   0.552
  132   1HE2  GLN  21          2HE2      GLN  21 -11.400   8.274  -0.666
  133   2HE2  GLN  21          1HE2      GLN  21  -9.683   7.925  -0.640
  134    H    GLY  22           HN       GLY  22 -10.143   3.744  -2.573
  135   1HA   GLY  22          1HA       GLY  22 -10.385   4.867  -4.582
  136   2HA   GLY  22          2HA       GLY  22  -9.842   6.304  -3.702
  137    HA   PRO  23           HA       PRO  23  -6.531   5.556  -6.820
  138   1HB   PRO  23          2HB       PRO  23  -5.018   7.817  -6.452
  139   2HB   PRO  23          3HB       PRO  23  -6.565   7.832  -7.349
  140   1HG   PRO  23          2HG       PRO  23  -6.138   8.549  -4.439
  141   2HG   PRO  23          3HG       PRO  23  -7.009   9.480  -5.686
  142   1HD   PRO  23          2HD       PRO  23  -8.365   7.872  -3.997
  143   2HD   PRO  23          3HD       PRO  23  -8.794   7.956  -5.738
  144    H    LEU  24           HN       LEU  24  -6.069   6.624  -3.448
  145    HA   LEU  24           HA       LEU  24  -3.426   5.875  -3.261
  146   1HB   LEU  24          2HB       LEU  24  -5.592   6.458  -1.271
  147   2HB   LEU  24          3HB       LEU  24  -4.038   5.819  -0.720
  148    HG   LEU  24           HG       LEU  24  -4.224   8.237  -2.515
  149   1HD1  LEU  24          1HD1      LEU  24  -4.168   7.880   0.486
  150   2HD1  LEU  24          2HD1      LEU  24  -3.739   9.414  -0.299
  151   3HD1  LEU  24          3HD1      LEU  24  -5.371   8.760  -0.501
  152   1HD2  LEU  24          2HD2      LEU  24  -2.089   7.111  -0.665
  153   2HD2  LEU  24          3HD2      LEU  24  -1.975   7.091  -2.447
  154   3HD2  LEU  24          1HD2      LEU  24  -1.953   8.622  -1.584
  155    OH   TYR  25           OH       TYR  25  -6.501  -4.338  -2.894
  156    H    TYR  25           HN       TYR  25  -6.267   3.825  -3.203
  157    HA   TYR  25           HA       TYR  25  -4.985   1.470  -1.994
  158   1HB   TYR  25          2HB       TYR  25  -7.431   1.694  -2.197
  159   2HB   TYR  25          3HB       TYR  25  -7.298   1.674  -3.954
  160    HD1  TYR  25           HD2      TYR  25  -6.655  -0.398  -5.152
  161    HD2  TYR  25           HD1      TYR  25  -7.133  -0.325  -0.865
  162    HE1  TYR  25           HE2      TYR  25  -6.455  -2.857  -5.087
  163    HE2  TYR  25           HE1      TYR  25  -6.977  -2.802  -0.816
  164    HH   TYR  25           HH       TYR  25  -6.149  -4.692  -3.716
  165    H    MET  26           HN       MET  26  -5.561   2.537  -5.408
  166    HA   MET  26           HA       MET  26  -4.030   0.322  -6.452
  167   1HB   MET  26          2HB       MET  26  -5.256   2.840  -7.512
  168   2HB   MET  26          3HB       MET  26  -3.940   2.139  -8.442
  169   1HG   MET  26          2HG       MET  26  -5.862   0.054  -7.617
  170   2HG   MET  26          3HG       MET  26  -6.615   1.313  -8.557
  171   1HE   MET  26          1HE       MET  26  -6.665  -1.587  -9.551
  172   2HE   MET  26          2HE       MET  26  -7.300  -0.240 -10.505
  173   3HE   MET  26          3HE       MET  26  -6.211  -1.422 -11.257
  174    H    THR  27           HN       THR  27  -3.163   3.578  -5.363
  175    HA   THR  27           HA       THR  27  -0.494   3.437  -6.363
  176    HB   THR  27           HB       THR  27  -1.940   5.099  -4.347
  177    HG1  THR  27          1HG       THR  27  -0.320   5.974  -6.466
  178   1HG2  THR  27          2HG2      THR  27   1.056   5.102  -4.715
  179   2HG2  THR  27          3HG2      THR  27   0.135   6.496  -4.091
  180   3HG2  THR  27          1HG2      THR  27   0.135   4.961  -3.218
  181    H    CYS  28           HN       CYS  28  -1.714   2.917  -2.994
  182    HA   CYS  28           HA       CYS  28   0.726   1.898  -2.067
  183   1HB   CYS  28          2HB       CYS  28  -0.415   0.942  -0.238
  184   2HB   CYS  28          3HB       CYS  28  -1.232   2.462  -0.662
  185    H    ILE  29           HN       ILE  29  -1.751   0.258  -4.118
  186    HA   ILE  29           HA       ILE  29  -0.554  -2.230  -3.693
  187    HB   ILE  29           HB       ILE  29  -2.335  -1.236  -5.918
  188   1HG1  ILE  29          2HG1      ILE  29  -3.415  -1.695  -3.698
  189   2HG1  ILE  29          3HG1      ILE  29  -3.968  -2.746  -4.996
  190   1HG2  ILE  29          3HG2      ILE  29  -0.950  -3.899  -5.596
  191   2HG2  ILE  29          1HG2      ILE  29  -2.436  -3.705  -6.549
  192   3HG2  ILE  29          2HG2      ILE  29  -0.958  -2.837  -7.013
  193   1HD1  ILE  29          3HD1      ILE  29  -2.502  -4.568  -4.129
  194   2HD1  ILE  29          1HD1      ILE  29  -1.971  -3.509  -2.820
  195   3HD1  ILE  29          2HD1      ILE  29  -3.658  -3.988  -2.916
  196    H    GLY  30           HN       GLY  30  -0.329   0.018  -6.410
  197   1HA   GLY  30          1HA       GLY  30   1.729  -1.000  -7.926
  198   2HA   GLY  30          2HA       GLY  30   1.436   0.732  -7.681
  199    H    ILE  31           HN       ILE  31   2.065   0.597  -4.778
  200    HA   ILE  31           HA       ILE  31   5.033   0.486  -4.919
  201    HB   ILE  31           HB       ILE  31   2.925   1.526  -2.973
  202   1HG1  ILE  31          2HG1      ILE  31   5.477   2.823  -4.050
  203   2HG1  ILE  31          3HG1      ILE  31   3.977   2.785  -4.988
  204   1HG2  ILE  31          1HG2      ILE  31   5.882   1.062  -2.376
  205   2HG2  ILE  31          2HG2      ILE  31   4.842   2.157  -1.455
  206   3HG2  ILE  31          3HG2      ILE  31   4.493   0.437  -1.450
  207   1HD1  ILE  31          2HD1      ILE  31   2.751   3.960  -3.251
  208   2HD1  ILE  31          3HD1      ILE  31   4.219   4.108  -2.260
  209   3HD1  ILE  31          1HD1      ILE  31   4.130   4.902  -3.837
  210    H    THR  32           HN       THR  32   2.595  -0.987  -2.706
  211    HA   THR  32           HA       THR  32   4.565  -2.539  -1.439
  212    HB   THR  32           HB       THR  32   2.675  -3.851  -0.535
  213    HG1  THR  32          1HG       THR  32   1.181  -2.254  -2.353
  214   1HG2  THR  32          3HG2      THR  32   3.285  -1.596   0.424
  215   2HG2  THR  32          1HG2      THR  32   2.077  -0.869  -0.603
  216   3HG2  THR  32          2HG2      THR  32   1.585  -2.038   0.642
  217    H    THR  33           HN       THR  33   2.658  -3.313  -4.333
  218    HA   THR  33           HA       THR  33   3.632  -6.079  -4.319
  219    HB   THR  33           HB       THR  33   2.105  -6.493  -6.059
  220    HG1  THR  33          1HG       THR  33   0.832  -4.774  -6.889
  221   1HG2  THR  33          3HG2      THR  33   1.225  -6.338  -3.856
  222   2HG2  THR  33          1HG2      THR  33   0.769  -4.633  -4.116
  223   3HG2  THR  33          2HG2      THR  33   0.028  -5.930  -5.083
  224    H    ASP  34           HN       ASP  34   5.134  -3.191  -4.962
  225    HA   ASP  34           HA       ASP  34   6.525  -4.015  -7.404
  226   1HB   ASP  34          2HB       ASP  34   5.988  -1.626  -6.768
  227   2HB   ASP  34          3HB       ASP  34   7.207  -1.751  -5.494
  228    HA   PRO  35           HA       PRO  35   9.421  -6.405  -4.868
  229   1HB   PRO  35          2HB       PRO  35  11.611  -6.488  -6.564
  230   2HB   PRO  35          3HB       PRO  35  10.172  -7.536  -6.689
  231   1HG   PRO  35          2HG       PRO  35  10.726  -4.956  -8.180
  232   2HG   PRO  35          3HG       PRO  35  10.153  -6.508  -8.860
  233   1HD   PRO  35          2HD       PRO  35   8.447  -4.515  -8.336
  234   2HD   PRO  35          3HD       PRO  35   7.961  -6.174  -7.905
  235    H    GLU  36           HN       GLU  36  10.230  -3.176  -6.199
  236    HA   GLU  36           HA       GLU  36  12.650  -2.861  -4.725
  237   1HB   GLU  36          2HB       GLU  36  11.812  -1.746  -6.948
  238   2HB   GLU  36          3HB       GLU  36  10.732  -0.791  -5.934
  239   1HG   GLU  36          2HG       GLU  36  12.798   0.105  -4.760
  240   2HG   GLU  36          3HG       GLU  36  13.747  -0.768  -5.981
  241    H    CYS  37           HN       CYS  37   9.463  -2.550  -3.945
  242    HA   CYS  37           HA       CYS  37   9.556  -0.528  -1.870
  243   1HB   CYS  37          2HB       CYS  37   7.454  -1.284  -2.819
  244   2HB   CYS  37          3HB       CYS  37   7.608  -2.861  -2.031
  245    H    GLY  38           HN       GLY  38  11.238  -0.838  -0.459
  246   1HA   GLY  38          1HA       GLY  38  12.372  -1.695   1.363
  247   2HA   GLY  38          2HA       GLY  38  10.855  -2.487   1.839
  248    H    LEU  39           HN       LEU  39  13.371  -2.693  -0.700
  249    HA   LEU  39           HA       LEU  39  12.963  -5.455  -1.227
  250   1HB   LEU  39          2HB       LEU  39  13.972  -3.677  -2.671
  251   2HB   LEU  39          3HB       LEU  39  15.491  -3.865  -1.833
  252    HG   LEU  39           HG       LEU  39  13.952  -6.109  -3.263
  253   1HD1  LEU  39          1HD1      LEU  39  14.611  -4.330  -4.848
  254   2HD1  LEU  39          2HD1      LEU  39  16.286  -4.420  -4.260
  255   3HD1  LEU  39          3HD1      LEU  39  15.560  -5.802  -5.110
  256   1HD2  LEU  39          3HD2      LEU  39  16.854  -5.932  -2.303
  257   2HD2  LEU  39          1HD2      LEU  39  15.606  -6.983  -1.614
  258   3HD2  LEU  39          2HD2      LEU  39  16.172  -7.262  -3.259
  259    HA   PRO  40           HA       PRO  40  14.582  -6.282   2.760
  260   1HB   PRO  40          2HB       PRO  40  13.641  -8.710   3.184
  261   2HB   PRO  40          3HB       PRO  40  12.542  -7.442   2.608
  262   1HG   PRO  40          2HG       PRO  40  13.980  -9.446   0.835
  263   2HG   PRO  40          3HG       PRO  40  12.207  -9.203   0.983
  264   1HD   PRO  40          2HD       PRO  40  13.597  -7.841  -0.905
  265   2HD   PRO  40          3HD       PRO  40  12.289  -7.082   0.050
   
  Start of MODEL           8
 Raw file had  265 H/Q atoms
  Start of MODEL    8
    1   1H    ASP   1          1HN       ASP   1  -8.176   1.521  13.792
    2   2H    ASP   1          2HN       ASP   1  -8.446   3.082  13.380
    3   3H    ASP   1          3HN       ASP   1  -9.428   1.842  12.803
    4    HA   ASP   1           HA       ASP   1  -8.077   1.128  11.301
    5   1HB   ASP   1          2HB       ASP   1  -7.288   2.707   9.932
    6   2HB   ASP   1          3HB       ASP   1  -8.622   3.495  10.774
    7    HA   PRO   2           HA       PRO   2  -4.445   0.165  13.806
    8   1HB   PRO   2          2HB       PRO   2  -4.137  -2.477  13.085
    9   2HB   PRO   2          3HB       PRO   2  -5.279  -1.846  14.306
   10   1HG   PRO   2          2HG       PRO   2  -5.839  -2.565  11.445
   11   2HG   PRO   2          3HG       PRO   2  -6.783  -3.004  12.885
   12   1HD   PRO   2          2HD       PRO   2  -7.477  -0.926  11.291
   13   2HD   PRO   2          3HD       PRO   2  -7.673  -0.843  13.051
   14    H    MET   3           HN       MET   3  -3.489   1.730  12.472
   15    HA   MET   3           HA       MET   3  -1.441   2.289  11.620
   16   1HB   MET   3          2HB       MET   3  -0.067   1.092  10.348
   17   2HB   MET   3          3HB       MET   3  -0.912  -0.252  11.046
   18   1HG   MET   3          2HG       MET   3  -2.375  -0.325   9.032
   19   2HG   MET   3          3HG       MET   3  -1.522   1.014   8.331
   20   1HE   MET   3          2HE       MET   3  -1.068  -2.801   9.180
   21   2HE   MET   3          3HE       MET   3   0.538  -3.048   8.444
   22   3HE   MET   3          1HE       MET   3   0.395  -2.103   9.950
   23    H    THR   4           HN       THR   4  -0.967   3.498   9.627
   24    HA   THR   4           HA       THR   4  -3.402   4.553   8.390
   25    HB   THR   4           HB       THR   4  -1.650   6.174   7.518
   26    HG1  THR   4          1HG       THR   4   0.270   5.735   9.159
   27   1HG2  THR   4          1HG2      THR   4  -2.958   6.635   9.613
   28   2HG2  THR   4          2HG2      THR   4  -1.696   5.795  10.529
   29   3HG2  THR   4          3HG2      THR   4  -1.322   7.306   9.658
   30    H    CYS   5           HN       CYS   5  -3.368   5.102   6.149
   31    HA   CYS   5           HA       CYS   5  -2.763   3.222   4.188
   32   1HB   CYS   5          2HB       CYS   5  -4.134   5.140   3.743
   33   2HB   CYS   5          3HB       CYS   5  -2.842   6.275   4.143
   34    H    GLU   6           HN       GLU   6  -0.726   5.850   5.464
   35    HA   GLU   6           HA       GLU   6   1.582   5.525   3.832
   36   1HB   GLU   6          2HB       GLU   6   1.446   7.384   5.222
   37   2HB   GLU   6          3HB       GLU   6   1.094   6.437   6.685
   38   1HG   GLU   6          2HG       GLU   6   3.603   5.767   6.477
   39   2HG   GLU   6          3HG       GLU   6   3.697   7.022   5.241
   40    H    GLN   7           HN       GLN   7   0.890   4.261   7.138
   41    HA   GLN   7           HA       GLN   7   3.110   2.606   7.371
   42   1HB   GLN   7          2HB       GLN   7   0.376   2.486   8.571
   43   2HB   GLN   7          3HB       GLN   7   1.525   1.156   8.776
   44   1HG   GLN   7          2HG       GLN   7   1.610   2.567  10.673
   45   2HG   GLN   7          3HG       GLN   7   3.160   2.512   9.822
   46   1HE2  GLN   7          2HE2      GLN   7   2.842   6.045   8.819
   47   2HE2  GLN   7          1HE2      GLN   7   3.476   4.514   8.247
   48    H    ALA   8           HN       ALA   8  -0.058   1.785   5.799
   49    HA   ALA   8           HA       ALA   8   0.528  -0.918   5.320
   50   1HB   ALA   8          1HB       ALA   8  -1.635   0.370   4.823
   51   2HB   ALA   8          2HB       ALA   8  -0.941   0.770   3.253
   52   3HB   ALA   8          3HB       ALA   8  -1.188  -0.929   3.702
   53    H    MET   9           HN       MET   9   1.307   1.948   3.234
   54    HA   MET   9           HA       MET   9   2.631   0.454   1.209
   55   1HB   MET   9          2HB       MET   9   3.505   3.270   1.984
   56   2HB   MET   9          3HB       MET   9   3.462   2.499   0.398
   57   1HG   MET   9          2HG       MET   9   0.864   2.656   0.737
   58   2HG   MET   9          3HG       MET   9   1.305   3.858   1.959
   59   1HE   MET   9          1HE       MET   9  -0.552   4.567  -0.533
   60   2HE   MET   9          2HE       MET   9  -0.051   5.761   0.698
   61   3HE   MET   9          3HE       MET   9   0.158   6.111  -1.037
   62    H    ALA  10           HN       ALA  10   3.736   2.134   4.014
   63    HA   ALA  10           HA       ALA  10   6.519   1.883   3.709
   64   1HB   ALA  10          2HB       ALA  10   5.157   3.522   5.093
   65   2HB   ALA  10          3HB       ALA  10   4.781   2.208   6.189
   66   3HB   ALA  10          1HB       ALA  10   6.455   2.755   6.028
   67    H    SER  11           HN       SER  11   4.082  -0.260   4.960
   68    HA   SER  11           HA       SER  11   5.897  -2.158   6.263
   69   1HB   SER  11          2HB       SER  11   3.018  -2.575   5.437
   70   2HB   SER  11          3HB       SER  11   3.985  -3.598   6.511
   71    HG   SER  11           HG       SER  11   2.868  -1.095   6.970
   72    H    CYS  12           HN       CYS  12   4.930  -1.564   2.937
   73    HA   CYS  12           HA       CYS  12   5.026  -2.760   1.044
   74   1HB   CYS  12          2HB       CYS  12   7.095  -4.476   2.404
   75   2HB   CYS  12          3HB       CYS  12   6.689  -4.494   0.690
   76    H    GLU  13           HN       GLU  13   2.992  -3.220   2.929
   77    HA   GLU  13           HA       GLU  13   2.401  -6.156   2.810
   78   1HB   GLU  13          2HB       GLU  13   2.572  -5.101   5.082
   79   2HB   GLU  13          3HB       GLU  13   1.316  -3.947   4.596
   80   1HG   GLU  13          2HG       GLU  13   0.155  -5.502   5.833
   81   2HG   GLU  13          3HG       GLU  13  -0.165  -6.034   4.185
   82    H    HIS  14           HN       HIS  14   1.666  -6.010   0.562
   83    HA   HIS  14           HA       HIS  14  -0.087  -3.908  -0.318
   84   1HB   HIS  14          2HB       HIS  14  -0.149  -4.954  -2.285
   85   2HB   HIS  14          3HB       HIS  14   1.303  -5.741  -1.672
   86    HD1  HIS  14           HD1      HIS  14  -2.511  -6.385  -2.069
   87    HD2  HIS  14           HD2      HIS  14   1.161  -8.386  -1.680
   88    HE1  HIS  14           HE1      HIS  14  -3.016  -8.867  -2.339
   89    H    THR  15           HN       THR  15  -0.651  -6.900   1.422
   90    HA   THR  15           HA       THR  15  -3.222  -7.458   0.509
   91    HB   THR  15           HB       THR  15  -3.253  -8.765   2.710
   92    HG1  THR  15          1HG       THR  15  -1.243  -8.681   3.817
   93   1HG2  THR  15          1HG2      THR  15  -2.312  -9.669   0.533
   94   2HG2  THR  15          2HG2      THR  15  -0.734  -8.973   0.942
   95   3HG2  THR  15          3HG2      THR  15  -1.410 -10.258   1.940
   96    H    MET  16           HN       MET  16  -2.055  -5.501   3.232
   97    HA   MET  16           HA       MET  16  -4.668  -4.786   4.219
   98   1HB   MET  16          2HB       MET  16  -1.788  -4.467   4.905
   99   2HB   MET  16          3HB       MET  16  -2.853  -3.272   5.507
  100   1HG   MET  16          2HG       MET  16  -2.712  -4.997   7.120
  101   2HG   MET  16          3HG       MET  16  -4.359  -4.981   6.478
  102   1HE   MET  16          3HE       MET  16  -5.544  -7.082   6.050
  103   2HE   MET  16          1HE       MET  16  -4.992  -6.979   4.369
  104   3HE   MET  16          2HE       MET  16  -4.877  -8.508   5.239
  105    H    CYS  17           HN       CYS  17  -3.463  -3.719   1.413
  106    HA   CYS  17           HA       CYS  17  -3.243  -0.990   1.585
  107   1HB   CYS  17          2HB       CYS  17  -3.968  -3.005  -0.487
  108   2HB   CYS  17          3HB       CYS  17  -4.544  -1.403  -0.800
  109    H    GLY  18           HN       GLY  18  -6.046  -2.691   2.519
  110   1HA   GLY  18          1HA       GLY  18  -8.171  -0.928   1.863
  111   2HA   GLY  18          2HA       GLY  18  -8.008  -1.979   3.286
  112    OH   TYR  19           OH       TYR  19  -4.832  -3.104   9.365
  113    H    TYR  19           HN       TYR  19  -5.388  -0.463   4.091
  114    HA   TYR  19           HA       TYR  19  -6.682   1.539   5.739
  115   1HB   TYR  19          2HB       TYR  19  -3.776   1.069   5.008
  116   2HB   TYR  19          3HB       TYR  19  -4.351   2.194   6.233
  117    HD1  TYR  19           HD2      TYR  19  -6.193   0.982   7.928
  118    HD2  TYR  19           HD1      TYR  19  -2.869  -0.925   5.948
  119    HE1  TYR  19           HE2      TYR  19  -6.395  -0.975   9.409
  120    HE2  TYR  19           HE1      TYR  19  -2.911  -2.722   7.628
  121    HH   TYR  19           HH       TYR  19  -3.999  -3.503   9.663
  122    H    CYS  20           HN       CYS  20  -5.109   1.492   2.599
  123    HA   CYS  20           HA       CYS  20  -5.462   4.411   2.119
  124   1HB   CYS  20          2HB       CYS  20  -4.453   2.166   0.342
  125   2HB   CYS  20          3HB       CYS  20  -4.521   3.862  -0.047
  126    H    GLN  21           HN       GLN  21  -6.504   4.473  -0.397
  127    HA   GLN  21           HA       GLN  21  -8.697   2.653  -0.724
  128   1HB   GLN  21          2HB       GLN  21 -10.431   4.560  -0.308
  129   2HB   GLN  21          3HB       GLN  21  -9.751   3.779   1.112
  130   1HG   GLN  21          2HG       GLN  21  -8.117   5.684   1.375
  131   2HG   GLN  21          3HG       GLN  21  -8.812   6.443  -0.064
  132   1HE2  GLN  21          2HE2      GLN  21 -10.933   6.313   3.499
  133   2HE2  GLN  21          1HE2      GLN  21  -9.745   5.070   3.148
  134    H    GLY  22           HN       GLY  22 -10.112   3.344  -2.569
  135   1HA   GLY  22          1HA       GLY  22 -10.377   4.165  -4.689
  136   2HA   GLY  22          2HA       GLY  22  -9.992   5.702  -3.958
  137    HA   PRO  23           HA       PRO  23  -6.516   5.322  -6.954
  138   1HB   PRO  23          2HB       PRO  23  -5.200   7.657  -6.325
  139   2HB   PRO  23          3HB       PRO  23  -6.620   7.542  -7.390
  140   1HG   PRO  23          2HG       PRO  23  -6.536   8.320  -4.477
  141   2HG   PRO  23          3HG       PRO  23  -7.464   9.084  -5.797
  142   1HD   PRO  23          2HD       PRO  23  -8.560   7.322  -4.032
  143   2HD   PRO  23          3HD       PRO  23  -9.110   7.388  -5.733
  144    H    LEU  24           HN       LEU  24  -6.140   6.324  -3.553
  145    HA   LEU  24           HA       LEU  24  -3.405   5.732  -3.363
  146   1HB   LEU  24          2HB       LEU  24  -5.627   6.239  -1.373
  147   2HB   LEU  24          3HB       LEU  24  -4.028   5.724  -0.833
  148    HG   LEU  24           HG       LEU  24  -4.434   8.151  -2.570
  149   1HD1  LEU  24          2HD1      LEU  24  -5.521   8.313  -0.379
  150   2HD1  LEU  24          3HD1      LEU  24  -4.018   7.778   0.418
  151   3HD1  LEU  24          1HD1      LEU  24  -4.063   9.338  -0.445
  152   1HD2  LEU  24          1HD2      LEU  24  -2.094   6.923  -1.034
  153   2HD2  LEU  24          2HD2      LEU  24  -2.134   7.316  -2.772
  154   3HD2  LEU  24          3HD2      LEU  24  -2.115   8.609  -1.573
  155    OH   TYR  25           OH       TYR  25  -7.280  -4.526  -2.859
  156    H    TYR  25           HN       TYR  25  -6.247   3.666  -2.938
  157    HA   TYR  25           HA       TYR  25  -4.863   1.366  -1.780
  158   1HB   TYR  25          2HB       TYR  25  -7.294   1.514  -2.012
  159   2HB   TYR  25          3HB       TYR  25  -7.138   1.455  -3.764
  160    HD1  TYR  25           HD2      TYR  25  -5.801  -0.707  -4.720
  161    HD2  TYR  25           HD1      TYR  25  -7.582  -0.480  -0.792
  162    HE1  TYR  25           HE2      TYR  25  -6.281  -3.098  -4.816
  163    HE2  TYR  25           HE1      TYR  25  -7.853  -2.935  -0.810
  164    HH   TYR  25           HH       TYR  25  -7.606  -4.867  -2.011
  165    H    MET  26           HN       MET  26  -5.414   2.455  -5.224
  166    HA   MET  26           HA       MET  26  -3.861   0.212  -6.146
  167   1HB   MET  26          2HB       MET  26  -5.236   2.565  -7.427
  168   2HB   MET  26          3HB       MET  26  -4.021   1.640  -8.308
  169   1HG   MET  26          2HG       MET  26  -6.118   0.554  -8.777
  170   2HG   MET  26          3HG       MET  26  -5.245  -0.490  -7.689
  171   1HE   MET  26          1HE       MET  26  -7.223  -1.948  -7.059
  172   2HE   MET  26          2HE       MET  26  -8.855  -1.331  -6.718
  173   3HE   MET  26          3HE       MET  26  -8.141  -1.116  -8.334
  174    H    THR  27           HN       THR  27  -3.067   3.493  -5.113
  175    HA   THR  27           HA       THR  27  -0.422   3.253  -6.224
  176    HB   THR  27           HB       THR  27  -1.750   5.317  -4.528
  177    HG1  THR  27          1HG       THR  27  -0.849   6.515  -6.385
  178   1HG2  THR  27          1HG2      THR  27   1.246   5.184  -5.060
  179   2HG2  THR  27          2HG2      THR  27   0.367   6.597  -4.449
  180   3HG2  THR  27          3HG2      THR  27   0.463   5.141  -3.464
  181    H    CYS  28           HN       CYS  28  -1.549   2.910  -2.836
  182    HA   CYS  28           HA       CYS  28   0.904   1.934  -1.877
  183   1HB   CYS  28          2HB       CYS  28  -0.280   0.918  -0.081
  184   2HB   CYS  28          3HB       CYS  28  -1.057   2.456  -0.517
  185    H    ILE  29           HN       ILE  29  -1.676   0.218  -3.794
  186    HA   ILE  29           HA       ILE  29  -0.449  -2.261  -3.446
  187    HB   ILE  29           HB       ILE  29  -2.278  -1.223  -5.620
  188   1HG1  ILE  29          2HG1      ILE  29  -3.339  -1.798  -3.425
  189   2HG1  ILE  29          3HG1      ILE  29  -3.864  -2.818  -4.750
  190   1HG2  ILE  29          3HG2      ILE  29  -0.832  -3.872  -5.490
  191   2HG2  ILE  29          1HG2      ILE  29  -2.371  -3.682  -6.349
  192   3HG2  ILE  29          2HG2      ILE  29  -0.958  -2.742  -6.848
  193   1HD1  ILE  29          1HD1      ILE  29  -2.279  -4.605  -3.959
  194   2HD1  ILE  29          2HD1      ILE  29  -1.845  -3.563  -2.592
  195   3HD1  ILE  29          3HD1      ILE  29  -3.496  -4.143  -2.751
  196    H    GLY  30           HN       GLY  30  -0.259   0.057  -6.145
  197   1HA   GLY  30          1HA       GLY  30   1.643  -1.054  -7.761
  198   2HA   GLY  30          2HA       GLY  30   1.551   0.683  -7.410
  199    H    ILE  31           HN       ILE  31   2.266   0.929  -4.847
  200    HA   ILE  31           HA       ILE  31   5.129   0.740  -4.942
  201    HB   ILE  31           HB       ILE  31   3.048   1.464  -2.837
  202   1HG1  ILE  31          2HG1      ILE  31   5.450   3.072  -3.829
  203   2HG1  ILE  31          3HG1      ILE  31   3.972   2.935  -4.800
  204   1HG2  ILE  31          1HG2      ILE  31   6.035   1.114  -2.362
  205   2HG2  ILE  31          2HG2      ILE  31   5.020   2.147  -1.351
  206   3HG2  ILE  31          3HG2      ILE  31   4.700   0.424  -1.415
  207   1HD1  ILE  31          3HD1      ILE  31   2.610   3.822  -2.970
  208   2HD1  ILE  31          1HD1      ILE  31   4.068   4.055  -1.980
  209   3HD1  ILE  31          2HD1      ILE  31   3.856   4.968  -3.480
  210    H    THR  32           HN       THR  32   2.855  -0.989  -2.738
  211    HA   THR  32           HA       THR  32   4.912  -2.544  -1.604
  212    HB   THR  32           HB       THR  32   3.033  -3.934  -0.716
  213    HG1  THR  32          1HG       THR  32   1.477  -2.196  -2.341
  214   1HG2  THR  32          2HG2      THR  32   3.758  -1.435   0.035
  215   2HG2  THR  32          3HG2      THR  32   2.139  -1.056  -0.495
  216   3HG2  THR  32          1HG2      THR  32   2.363  -2.264   0.773
  217    H    THR  33           HN       THR  33   2.815  -3.260  -4.322
  218    HA   THR  33           HA       THR  33   3.915  -5.947  -4.658
  219    HB   THR  33           HB       THR  33   2.190  -6.345  -6.208
  220    HG1  THR  33          1HG       THR  33   1.775  -3.539  -6.155
  221   1HG2  THR  33          2HG2      THR  33   1.588  -6.299  -3.889
  222   2HG2  THR  33          3HG2      THR  33   1.018  -4.620  -4.077
  223   3HG2  THR  33          1HG2      THR  33   0.249  -5.936  -4.986
  224    H    ASP  34           HN       ASP  34   5.180  -2.905  -5.309
  225    HA   ASP  34           HA       ASP  34   6.412  -3.586  -7.875
  226   1HB   ASP  34          2HB       ASP  34   6.108  -1.158  -7.034
  227   2HB   ASP  34          3HB       ASP  34   7.368  -1.520  -5.854
  228    HA   PRO  35           HA       PRO  35   9.272  -6.304  -5.653
  229   1HB   PRO  35          2HB       PRO  35  11.409  -6.292  -7.428
  230   2HB   PRO  35          3HB       PRO  35   9.958  -7.324  -7.550
  231   1HG   PRO  35          2HG       PRO  35  10.503  -4.698  -8.950
  232   2HG   PRO  35          3HG       PRO  35   9.827  -6.197  -9.655
  233   1HD   PRO  35          2HD       PRO  35   8.251  -4.137  -8.936
  234   2HD   PRO  35          3HD       PRO  35   7.699  -5.784  -8.627
  235    H    GLU  36           HN       GLU  36  10.049  -2.965  -6.732
  236    HA   GLU  36           HA       GLU  36  12.491  -2.899  -5.350
  237   1HB   GLU  36          2HB       GLU  36  11.725  -1.443  -7.325
  238   2HB   GLU  36          3HB       GLU  36  10.725  -0.542  -6.172
  239   1HG   GLU  36          2HG       GLU  36  12.752   0.014  -4.879
  240   2HG   GLU  36          3HG       GLU  36  13.716  -0.973  -5.963
  241    H    CYS  37           HN       CYS  37   9.453  -2.979  -4.094
  242    HA   CYS  37           HA       CYS  37   9.485  -0.919  -2.156
  243   1HB   CYS  37          2HB       CYS  37   7.505  -2.210  -2.755
  244   2HB   CYS  37          3HB       CYS  37   8.036  -3.553  -1.743
  245    H    GLY  38           HN       GLY  38  11.357  -0.651  -1.088
  246   1HA   GLY  38          1HA       GLY  38  12.834  -0.857   0.653
  247   2HA   GLY  38          2HA       GLY  38  11.887  -2.195   1.314
  248    H    LEU  39           HN       LEU  39  13.124  -2.154  -2.003
  249    HA   LEU  39           HA       LEU  39  15.077  -4.271  -1.391
  250   1HB   LEU  39          2HB       LEU  39  13.224  -4.506  -3.126
  251   2HB   LEU  39          3HB       LEU  39  14.187  -3.406  -4.112
  252    HG   LEU  39           HG       LEU  39  16.062  -5.002  -4.034
  253   1HD1  LEU  39          2HD1      LEU  39  14.107  -6.703  -2.412
  254   2HD1  LEU  39          3HD1      LEU  39  15.502  -7.388  -3.254
  255   3HD1  LEU  39          1HD1      LEU  39  15.763  -6.238  -1.953
  256   1HD2  LEU  39          1HD2      LEU  39  14.384  -5.104  -5.853
  257   2HD2  LEU  39          2HD2      LEU  39  15.108  -6.686  -5.507
  258   3HD2  LEU  39          3HD2      LEU  39  13.474  -6.314  -4.923
  259    HA   PRO  40           HA       PRO  40  18.074  -0.869  -2.326
  260   1HB   PRO  40          2HB       PRO  40  20.023  -1.578  -0.588
  261   2HB   PRO  40          3HB       PRO  40  18.573  -0.681  -0.056
  262   1HG   PRO  40          2HG       PRO  40  19.099  -3.668   0.091
  263   2HG   PRO  40          3HG       PRO  40  18.486  -2.625   1.398
  264   1HD   PRO  40          2HD       PRO  40  16.921  -4.209  -0.263
  265   2HD   PRO  40          3HD       PRO  40  16.320  -2.659   0.418
   
  Start of MODEL           9
 Raw file had  265 H/Q atoms
  Start of MODEL    9
    1   1H    ASP   1          2HN       ASP   1  -9.316   1.961  13.529
    2   2H    ASP   1          3HN       ASP   1 -10.708   2.439  12.805
    3   3H    ASP   1          1HN       ASP   1 -10.508   0.854  13.267
    4    HA   ASP   1           HA       ASP   1  -9.694   0.313  11.317
    5   1HB   ASP   1          2HB       ASP   1  -9.825   3.273  10.753
    6   2HB   ASP   1          3HB       ASP   1  -9.351   2.059   9.560
    7    HA   PRO   2           HA       PRO   2  -5.717   1.392  13.285
    8   1HB   PRO   2          2HB       PRO   2  -4.364  -0.981  13.028
    9   2HB   PRO   2          3HB       PRO   2  -5.697  -0.727  14.191
   10   1HG   PRO   2          2HG       PRO   2  -5.880  -1.935  11.418
   11   2HG   PRO   2          3HG       PRO   2  -6.485  -2.634  12.939
   12   1HD   PRO   2          2HD       PRO   2  -8.099  -1.235  11.265
   13   2HD   PRO   2          3HD       PRO   2  -8.290  -0.999  13.026
   14    H    MET   3           HN       MET   3  -3.287   1.040  12.471
   15    HA   MET   3           HA       MET   3  -1.676   1.513  10.978
   16   1HB   MET   3          2HB       MET   3  -2.038  -0.844  10.533
   17   2HB   MET   3          3HB       MET   3  -3.370  -0.468   9.419
   18   1HG   MET   3          2HG       MET   3  -1.827   0.647   7.873
   19   2HG   MET   3          3HG       MET   3  -0.546   0.452   9.074
   20   1HE   MET   3          2HE       MET   3   0.997  -1.533   9.239
   21   2HE   MET   3          3HE       MET   3  -0.354  -2.590   9.766
   22   3HE   MET   3          1HE       MET   3   0.719  -3.088   8.430
   23    H    THR   4           HN       THR   4  -1.485   3.571  10.240
   24    HA   THR   4           HA       THR   4  -3.396   4.672   8.496
   25    HB   THR   4           HB       THR   4  -1.925   6.436   8.044
   26    HG1  THR   4          1HG       THR   4   0.199   5.232   9.374
   27   1HG2  THR   4          1HG2      THR   4  -2.873   6.143  10.415
   28   2HG2  THR   4          2HG2      THR   4  -1.232   5.660  10.886
   29   3HG2  THR   4          3HG2      THR   4  -1.513   7.269  10.238
   30    H    CYS   5           HN       CYS   5  -3.376   5.334   6.301
   31    HA   CYS   5           HA       CYS   5  -2.823   3.355   4.400
   32   1HB   CYS   5          2HB       CYS   5  -4.314   5.184   3.866
   33   2HB   CYS   5          3HB       CYS   5  -3.026   6.378   4.082
   34    H    GLU   6           HN       GLU   6  -0.764   6.061   5.573
   35    HA   GLU   6           HA       GLU   6   1.429   5.560   3.798
   36   1HB   GLU   6          2HB       GLU   6   1.338   7.502   5.441
   37   2HB   GLU   6          3HB       GLU   6   1.676   6.380   6.745
   38   1HG   GLU   6          2HG       GLU   6   3.722   7.408   6.226
   39   2HG   GLU   6          3HG       GLU   6   3.839   5.808   5.511
   40    H    GLN   7           HN       GLN   7   0.785   4.305   7.131
   41    HA   GLN   7           HA       GLN   7   2.986   2.596   7.367
   42   1HB   GLN   7          2HB       GLN   7   0.195   2.458   8.455
   43   2HB   GLN   7          3HB       GLN   7   1.328   1.091   8.585
   44   1HG   GLN   7          2HG       GLN   7   1.130   2.476  10.540
   45   2HG   GLN   7          3HG       GLN   7   2.773   2.150   9.944
   46   1HE2  GLN   7          2HE2      GLN   7   3.201   5.723   9.004
   47   2HE2  GLN   7          1HE2      GLN   7   3.559   4.139   8.349
   48    H    ALA   8           HN       ALA   8  -0.181   1.792   5.827
   49    HA   ALA   8           HA       ALA   8   0.517  -0.852   5.171
   50   1HB   ALA   8          1HB       ALA   8  -1.744   0.076   4.881
   51   2HB   ALA   8          2HB       ALA   8  -1.189   1.042   3.495
   52   3HB   ALA   8          3HB       ALA   8  -1.176  -0.735   3.411
   53    H    MET   9           HN       MET   9   1.297   2.141   3.297
   54    HA   MET   9           HA       MET   9   2.569   0.699   1.170
   55   1HB   MET   9          2HB       MET   9   3.232   3.546   2.092
   56   2HB   MET   9          3HB       MET   9   3.531   2.845   0.503
   57   1HG   MET   9          2HG       MET   9   1.170   2.839   0.051
   58   2HG   MET   9          3HG       MET   9   0.821   3.517   1.640
   59   1HE   MET   9          2HE       MET   9  -0.275   4.756  -0.978
   60   2HE   MET   9          3HE       MET   9  -0.513   5.473   0.631
   61   3HE   MET   9          1HE       MET   9   0.042   6.496  -0.715
   62    H    ALA  10           HN       ALA  10   3.633   2.285   4.021
   63    HA   ALA  10           HA       ALA  10   6.390   2.122   3.657
   64   1HB   ALA  10          2HB       ALA  10   5.083   3.700   5.128
   65   2HB   ALA  10          3HB       ALA  10   4.721   2.332   6.190
   66   3HB   ALA  10          1HB       ALA  10   6.394   2.889   6.028
   67    H    SER  11           HN       SER  11   4.081  -0.126   4.879
   68    HA   SER  11           HA       SER  11   6.159  -1.914   6.010
   69   1HB   SER  11          2HB       SER  11   4.428  -3.366   6.693
   70   2HB   SER  11          3HB       SER  11   4.005  -1.717   7.175
   71    HG   SER  11           HG       SER  11   2.385  -3.203   6.099
   72    H    CYS  12           HN       CYS  12   4.561  -1.367   2.978
   73    HA   CYS  12           HA       CYS  12   4.511  -2.409   1.047
   74   1HB   CYS  12          2HB       CYS  12   7.232  -3.184   1.937
   75   2HB   CYS  12          3HB       CYS  12   6.561  -4.039   0.544
   76    H    GLU  13           HN       GLU  13   2.821  -3.248   2.844
   77    HA   GLU  13           HA       GLU  13   2.501  -6.184   2.351
   78   1HB   GLU  13          2HB       GLU  13   1.283  -4.360   4.467
   79   2HB   GLU  13          3HB       GLU  13   0.940  -6.085   4.252
   80   1HG   GLU  13          2HG       GLU  13   3.357  -6.562   4.667
   81   2HG   GLU  13          3HG       GLU  13   3.628  -4.857   5.014
   82    H    HIS  14           HN       HIS  14   1.680  -5.786   0.169
   83    HA   HIS  14           HA       HIS  14  -0.378  -3.995  -0.504
   84   1HB   HIS  14          2HB       HIS  14  -0.484  -5.054  -2.482
   85   2HB   HIS  14          3HB       HIS  14   1.029  -5.767  -1.917
   86    HD1  HIS  14           HD1      HIS  14  -2.771  -6.641  -2.233
   87    HD2  HIS  14           HD2      HIS  14   1.019  -8.387  -1.741
   88    HE1  HIS  14           HE1      HIS  14  -3.157  -9.149  -2.071
   89    H    THR  15           HN       THR  15  -0.559  -7.018   1.288
   90    HA   THR  15           HA       THR  15  -3.268  -7.508   0.833
   91    HB   THR  15           HB       THR  15  -2.988  -8.878   2.983
   92    HG1  THR  15          1HG       THR  15  -1.469  -7.480   4.032
   93   1HG2  THR  15          3HG2      THR  15  -2.269  -9.647   0.710
   94   2HG2  THR  15          1HG2      THR  15  -0.620  -9.085   1.043
   95   3HG2  THR  15          2HG2      THR  15  -1.325 -10.367   2.036
   96    H    MET  16           HN       MET  16  -1.571  -5.342   3.165
   97    HA   MET  16           HA       MET  16  -4.003  -4.691   4.638
   98   1HB   MET  16          2HB       MET  16  -1.052  -4.416   4.913
   99   2HB   MET  16          3HB       MET  16  -2.009  -3.123   5.547
  100   1HG   MET  16          2HG       MET  16  -1.764  -4.551   7.328
  101   2HG   MET  16          3HG       MET  16  -3.411  -4.894   6.779
  102   1HE   MET  16          1HE       MET  16  -3.928  -7.033   5.140
  103   2HE   MET  16          2HE       MET  16  -3.440  -8.537   5.943
  104   3HE   MET  16          3HE       MET  16  -4.253  -7.263   6.874
  105    H    CYS  17           HN       CYS  17  -2.975  -3.754   1.596
  106    HA   CYS  17           HA       CYS  17  -3.012  -0.958   1.737
  107   1HB   CYS  17          2HB       CYS  17  -3.530  -3.044  -0.357
  108   2HB   CYS  17          3HB       CYS  17  -4.186  -1.502  -0.618
  109    H    GLY  18           HN       GLY  18  -5.546  -2.938   2.823
  110   1HA   GLY  18          1HA       GLY  18  -7.877  -1.592   1.838
  111   2HA   GLY  18          2HA       GLY  18  -7.717  -2.496   3.354
  112    OH   TYR  19           OH       TYR  19  -6.064  -3.596   8.892
  113    H    TYR  19           HN       TYR  19  -5.402  -0.751   4.302
  114    HA   TYR  19           HA       TYR  19  -6.990   1.331   5.519
  115   1HB   TYR  19          2HB       TYR  19  -3.973   0.959   5.407
  116   2HB   TYR  19          3HB       TYR  19  -4.873   2.033   6.470
  117    HD1  TYR  19           HD2      TYR  19  -6.976   0.691   7.706
  118    HD2  TYR  19           HD1      TYR  19  -3.260  -1.049   6.410
  119    HE1  TYR  19           HE2      TYR  19  -7.560  -1.404   8.852
  120    HE2  TYR  19           HE1      TYR  19  -3.707  -3.021   7.844
  121    HH   TYR  19           HH       TYR  19  -7.028  -3.692   8.869
  122    H    CYS  20           HN       CYS  20  -5.761   1.159   2.390
  123    HA   CYS  20           HA       CYS  20  -5.836   4.129   2.068
  124   1HB   CYS  20          2HB       CYS  20  -4.568   2.003   0.308
  125   2HB   CYS  20          3HB       CYS  20  -4.695   3.705  -0.026
  126    H    GLN  21           HN       GLN  21  -7.279   4.688   0.172
  127    HA   GLN  21           HA       GLN  21  -8.881   2.488  -0.957
  128   1HB   GLN  21          2HB       GLN  21 -11.002   3.298  -0.312
  129   2HB   GLN  21          3HB       GLN  21 -10.023   3.103   1.140
  130   1HG   GLN  21          2HG       GLN  21  -9.499   5.649   0.839
  131   2HG   GLN  21          3HG       GLN  21 -10.954   5.638  -0.169
  132   1HE2  GLN  21          2HE2      GLN  21 -11.268   5.659   3.868
  133   2HE2  GLN  21          1HE2      GLN  21  -9.754   5.823   3.009
  134    H    GLY  22           HN       GLY  22 -10.281   3.287  -2.774
  135   1HA   GLY  22          1HA       GLY  22 -10.410   4.371  -4.788
  136   2HA   GLY  22          2HA       GLY  22 -10.073   5.830  -3.839
  137    HA   PRO  23           HA       PRO  23  -6.536   5.786  -6.811
  138   1HB   PRO  23          2HB       PRO  23  -6.032   8.207  -5.038
  139   2HB   PRO  23          3HB       PRO  23  -5.775   8.051  -6.792
  140   1HG   PRO  23          2HG       PRO  23  -7.995   9.305  -5.857
  141   2HG   PRO  23          3HG       PRO  23  -8.145   8.122  -7.202
  142   1HD   PRO  23          2HD       PRO  23  -8.705   7.709  -4.260
  143   2HD   PRO  23          3HD       PRO  23  -9.652   7.190  -5.686
  144    H    LEU  24           HN       LEU  24  -6.398   6.452  -3.310
  145    HA   LEU  24           HA       LEU  24  -3.652   5.921  -3.088
  146   1HB   LEU  24          2HB       LEU  24  -5.918   6.173  -1.117
  147   2HB   LEU  24          3HB       LEU  24  -4.310   5.678  -0.582
  148    HG   LEU  24           HG       LEU  24  -4.761   8.190  -2.159
  149   1HD1  LEU  24          1HD1      LEU  24  -5.858   8.126   0.091
  150   2HD1  LEU  24          2HD1      LEU  24  -4.262   7.765   0.805
  151   3HD1  LEU  24          3HD1      LEU  24  -4.547   9.306  -0.044
  152   1HD2  LEU  24          3HD2      LEU  24  -2.367   6.978  -0.723
  153   2HD2  LEU  24          1HD2      LEU  24  -2.447   7.508  -2.422
  154   3HD2  LEU  24          2HD2      LEU  24  -2.470   8.701  -1.134
  155    OH   TYR  25           OH       TYR  25  -6.371  -4.400  -3.836
  156    H    TYR  25           HN       TYR  25  -6.393   3.713  -3.164
  157    HA   TYR  25           HA       TYR  25  -5.005   1.467  -1.936
  158   1HB   TYR  25          2HB       TYR  25  -7.457   1.472  -2.194
  159   2HB   TYR  25          3HB       TYR  25  -7.314   1.609  -3.943
  160    HD1  TYR  25           HD2      TYR  25  -6.059  -0.661  -1.222
  161    HD2  TYR  25           HD1      TYR  25  -8.155  -0.373  -4.910
  162    HE1  TYR  25           HE2      TYR  25  -5.708  -3.115  -1.603
  163    HE2  TYR  25           HE1      TYR  25  -7.780  -2.784  -5.352
  164    HH   TYR  25           HH       TYR  25  -5.744  -4.812  -3.223
  165    H    MET  26           HN       MET  26  -5.539   2.581  -5.359
  166    HA   MET  26           HA       MET  26  -3.884   0.497  -6.383
  167   1HB   MET  26          2HB       MET  26  -5.090   3.053  -7.469
  168   2HB   MET  26          3HB       MET  26  -3.825   2.216  -8.369
  169   1HG   MET  26          2HG       MET  26  -5.957   1.295  -9.098
  170   2HG   MET  26          3HG       MET  26  -5.088   0.078  -8.188
  171   1HE   MET  26          2HE       MET  26  -7.771  -0.648  -8.819
  172   2HE   MET  26          3HE       MET  26  -6.935  -1.532  -7.523
  173   3HE   MET  26          1HE       MET  26  -8.620  -1.000  -7.294
  174    H    THR  27           HN       THR  27  -3.171   3.738  -5.173
  175    HA   THR  27           HA       THR  27  -0.504   3.766  -6.176
  176    HB   THR  27           HB       THR  27  -1.961   5.251  -4.023
  177    HG1  THR  27          1HG       THR  27  -2.123   5.756  -6.327
  178   1HG2  THR  27          2HG2      THR  27   0.406   5.131  -3.204
  179   2HG2  THR  27          3HG2      THR  27   0.945   5.750  -4.774
  180   3HG2  THR  27          1HG2      THR  27  -0.049   6.754  -3.695
  181    H    CYS  28           HN       CYS  28  -1.737   3.029  -2.869
  182    HA   CYS  28           HA       CYS  28   0.779   2.163  -1.909
  183   1HB   CYS  28          2HB       CYS  28  -0.418   1.240  -0.061
  184   2HB   CYS  28          3HB       CYS  28  -1.329   2.665  -0.611
  185    H    ILE  29           HN       ILE  29  -1.643   0.478  -4.017
  186    HA   ILE  29           HA       ILE  29  -0.456  -2.013  -3.599
  187    HB   ILE  29           HB       ILE  29  -2.154  -0.946  -5.853
  188   1HG1  ILE  29          2HG1      ILE  29  -3.280  -1.568  -3.689
  189   2HG1  ILE  29          3HG1      ILE  29  -3.791  -2.533  -5.069
  190   1HG2  ILE  29          3HG2      ILE  29  -0.685  -3.574  -5.683
  191   2HG2  ILE  29          1HG2      ILE  29  -2.158  -3.376  -6.660
  192   3HG2  ILE  29          2HG2      ILE  29  -0.710  -2.423  -7.022
  193   1HD1  ILE  29          3HD1      ILE  29  -2.239  -4.356  -4.264
  194   2HD1  ILE  29          1HD1      ILE  29  -1.870  -3.348  -2.849
  195   3HD1  ILE  29          2HD1      ILE  29  -3.510  -3.908  -3.108
  196    H    GLY  30           HN       GLY  30  -0.040   0.360  -6.188
  197   1HA   GLY  30          1HA       GLY  30   2.008  -0.631  -7.719
  198   2HA   GLY  30          2HA       GLY  30   1.870   1.081  -7.245
  199    H    ILE  31           HN       ILE  31   2.348   1.054  -4.589
  200    HA   ILE  31           HA       ILE  31   5.244   0.780  -4.514
  201    HB   ILE  31           HB       ILE  31   3.042   1.575  -2.530
  202   1HG1  ILE  31          2HG1      ILE  31   5.520   3.085  -3.537
  203   2HG1  ILE  31          3HG1      ILE  31   3.982   3.089  -4.386
  204   1HG2  ILE  31          2HG2      ILE  31   6.006   1.092  -1.988
  205   2HG2  ILE  31          3HG2      ILE  31   5.026   2.148  -0.969
  206   3HG2  ILE  31          1HG2      ILE  31   4.627   0.446  -1.084
  207   1HD1  ILE  31          1HD1      ILE  31   2.839   4.022  -2.419
  208   2HD1  ILE  31          2HD1      ILE  31   4.402   4.168  -1.579
  209   3HD1  ILE  31          3HD1      ILE  31   4.109   5.076  -3.067
  210    H    THR  32           HN       THR  32   2.706  -0.825  -2.568
  211    HA   THR  32           HA       THR  32   4.552  -2.497  -1.262
  212    HB   THR  32           HB       THR  32   2.576  -3.744  -0.509
  213    HG1  THR  32          1HG       THR  32   1.237  -2.047  -2.354
  214   1HG2  THR  32          1HG2      THR  32   3.225  -1.059  -0.037
  215   2HG2  THR  32          2HG2      THR  32   1.475  -1.029  -0.259
  216   3HG2  THR  32          3HG2      THR  32   2.179  -2.096   0.956
  217    H    THR  33           HN       THR  33   3.018  -2.980  -4.330
  218    HA   THR  33           HA       THR  33   3.840  -5.823  -4.355
  219    HB   THR  33           HB       THR  33   2.381  -6.186  -6.116
  220    HG1  THR  33          1HG       THR  33   1.954  -3.362  -6.101
  221   1HG2  THR  33          3HG2      THR  33   1.065  -4.457  -4.027
  222   2HG2  THR  33          1HG2      THR  33   0.244  -5.576  -5.114
  223   3HG2  THR  33          2HG2      THR  33   1.439  -6.212  -3.987
  224    H    ASP  34           HN       ASP  34   5.332  -2.880  -4.840
  225    HA   ASP  34           HA       ASP  34   6.619  -3.276  -7.357
  226   1HB   ASP  34          2HB       ASP  34   6.747  -1.120  -6.193
  227   2HB   ASP  34          3HB       ASP  34   7.548  -1.887  -4.815
  228    HA   PRO  35           HA       PRO  35   8.995  -6.880  -5.890
  229   1HB   PRO  35          2HB       PRO  35  10.781  -7.108  -7.994
  230   2HB   PRO  35          3HB       PRO  35   9.116  -7.751  -7.988
  231   1HG   PRO  35          2HG       PRO  35  10.107  -5.159  -9.183
  232   2HG   PRO  35          3HG       PRO  35   8.997  -6.354  -9.900
  233   1HD   PRO  35          2HD       PRO  35   8.102  -4.089  -8.734
  234   2HD   PRO  35          3HD       PRO  35   7.177  -5.595  -8.537
  235    H    GLU  36           HN       GLU  36  10.424  -3.741  -7.053
  236    HA   GLU  36           HA       GLU  36  12.932  -4.210  -5.830
  237   1HB   GLU  36          2HB       GLU  36  11.567  -1.707  -6.937
  238   2HB   GLU  36          3HB       GLU  36  13.264  -1.951  -6.587
  239   1HG   GLU  36          2HG       GLU  36  13.370  -3.760  -8.225
  240   2HG   GLU  36          3HG       GLU  36  11.679  -3.535  -8.649
  241    H    CYS  37           HN       CYS  37  10.058  -3.622  -4.375
  242    HA   CYS  37           HA       CYS  37  10.492  -1.414  -2.717
  243   1HB   CYS  37          2HB       CYS  37   8.302  -2.317  -2.713
  244   2HB   CYS  37          3HB       CYS  37   8.839  -3.831  -1.938
  245    H    GLY  38           HN       GLY  38  12.417  -1.123  -1.852
  246   1HA   GLY  38          1HA       GLY  38  14.180  -1.268  -0.387
  247   2HA   GLY  38          2HA       GLY  38  13.057  -2.077   0.724
  248    H    LEU  39           HN       LEU  39  14.136  -3.136  -2.533
  249    HA   LEU  39           HA       LEU  39  14.414  -5.768  -1.507
  250   1HB   LEU  39          2HB       LEU  39  13.734  -4.852  -3.822
  251   2HB   LEU  39          3HB       LEU  39  15.453  -4.933  -4.208
  252    HG   LEU  39           HG       LEU  39  13.914  -6.800  -4.925
  253   1HD1  LEU  39          2HD1      LEU  39  16.304  -7.590  -3.270
  254   2HD1  LEU  39          3HD1      LEU  39  15.460  -8.663  -4.384
  255   3HD1  LEU  39          1HD1      LEU  39  16.257  -7.198  -4.992
  256   1HD2  LEU  39          1HD2      LEU  39  12.637  -6.830  -2.725
  257   2HD2  LEU  39          2HD2      LEU  39  13.004  -8.367  -3.500
  258   3HD2  LEU  39          3HD2      LEU  39  13.965  -7.858  -2.109
  259    HA   PRO  40           HA       PRO  40  18.928  -5.345  -0.777
  260   1HB   PRO  40          2HB       PRO  40  19.107  -8.261  -0.343
  261   2HB   PRO  40          3HB       PRO  40  19.383  -6.932   0.791
  262   1HG   PRO  40          2HG       PRO  40  17.199  -8.623   0.943
  263   2HG   PRO  40          3HG       PRO  40  17.153  -6.924   1.480
  264   1HD   PRO  40          2HD       PRO  40  16.210  -8.063  -1.145
  265   2HD   PRO  40          3HD       PRO  40  15.389  -6.922  -0.070
   
  Start of MODEL          10
 Raw file had  265 H/Q atoms
  Start of MODEL   10
    1   1H    ASP   1          3HN       ASP   1  -8.901  -0.043   9.556
    2   2H    ASP   1          1HN       ASP   1  -9.616  -0.639  10.974
    3   3H    ASP   1          2HN       ASP   1 -10.462   0.216   9.897
    4    HA   ASP   1           HA       ASP   1  -9.483   2.083  10.168
    5   1HB   ASP   1          2HB       ASP   1 -10.083   1.338  13.025
    6   2HB   ASP   1          3HB       ASP   1 -10.408   2.859  12.191
    7    HA   PRO   2           HA       PRO   2  -5.761   2.178  13.091
    8   1HB   PRO   2          2HB       PRO   2  -4.541  -0.195  13.719
    9   2HB   PRO   2          3HB       PRO   2  -5.899   0.466  14.682
   10   1HG   PRO   2          2HG       PRO   2  -5.959  -1.744  12.658
   11   2HG   PRO   2          3HG       PRO   2  -6.909  -1.583  14.161
   12   1HD   PRO   2          2HD       PRO   2  -7.733  -0.917  11.514
   13   2HD   PRO   2          3HD       PRO   2  -8.585  -0.308  12.981
   14    H    MET   3           HN       MET   3  -3.454   1.994  12.536
   15    HA   MET   3           HA       MET   3  -1.744   1.969  11.152
   16   1HB   MET   3          2HB       MET   3  -2.172  -0.533  10.876
   17   2HB   MET   3          3HB       MET   3  -3.039  -0.123   9.380
   18   1HG   MET   3          2HG       MET   3  -1.018   1.215   8.710
   19   2HG   MET   3          3HG       MET   3  -0.157   0.484  10.081
   20   1HE   MET   3          2HE       MET   3   0.487  -2.029  10.021
   21   2HE   MET   3          3HE       MET   3  -1.116  -2.635   9.518
   22   3HE   MET   3          1HE       MET   3   0.352  -3.074   8.597
   23    H    THR   4           HN       THR   4  -1.164   3.418   9.571
   24    HA   THR   4           HA       THR   4  -3.331   4.755   8.081
   25    HB   THR   4           HB       THR   4  -1.708   6.409   7.684
   26    HG1  THR   4          1HG       THR   4   0.362   6.228   8.243
   27   1HG2  THR   4          2HG2      THR   4  -2.867   6.305   9.926
   28   2HG2  THR   4          3HG2      THR   4  -1.427   5.512  10.595
   29   3HG2  THR   4          1HG2      THR   4  -1.312   7.157   9.959
   30    H    CYS   5           HN       CYS   5  -3.188   5.220   5.900
   31    HA   CYS   5           HA       CYS   5  -2.495   3.233   4.101
   32   1HB   CYS   5          2HB       CYS   5  -3.856   5.159   3.479
   33   2HB   CYS   5          3HB       CYS   5  -2.499   6.262   3.722
   34    H    GLU   6           HN       GLU   6  -0.480   5.958   5.267
   35    HA   GLU   6           HA       GLU   6   1.791   5.335   3.597
   36   1HB   GLU   6          2HB       GLU   6   1.756   7.450   4.817
   37   2HB   GLU   6          3HB       GLU   6   1.795   6.596   6.372
   38   1HG   GLU   6          2HG       GLU   6   3.977   7.516   5.817
   39   2HG   GLU   6          3HG       GLU   6   4.082   5.760   5.783
   40    H    GLN   7           HN       GLN   7   0.969   4.379   6.969
   41    HA   GLN   7           HA       GLN   7   3.187   2.713   7.364
   42   1HB   GLN   7          2HB       GLN   7   0.399   2.795   8.453
   43   2HB   GLN   7          3HB       GLN   7   1.382   1.329   8.680
   44   1HG   GLN   7          2HG       GLN   7   1.530   2.617  10.570
   45   2HG   GLN   7          3HG       GLN   7   3.113   2.580   9.770
   46   1HE2  GLN   7          2HE2      GLN   7   2.839   6.203   9.000
   47   2HE2  GLN   7          1HE2      GLN   7   3.205   4.735   8.100
   48    H    ALA   8           HN       ALA   8   0.027   1.732   5.815
   49    HA   ALA   8           HA       ALA   8   0.747  -0.975   5.510
   50   1HB   ALA   8          3HB       ALA   8  -1.485   0.159   4.969
   51   2HB   ALA   8          1HB       ALA   8  -0.812   0.550   3.389
   52   3HB   ALA   8          2HB       ALA   8  -0.957  -1.151   3.888
   53    H    MET   9           HN       MET   9   1.297   1.749   3.302
   54    HA   MET   9           HA       MET   9   2.596   0.341   1.184
   55   1HB   MET   9          2HB       MET   9   1.371   2.501   1.219
   56   2HB   MET   9          3HB       MET   9   2.760   3.238   2.052
   57   1HG   MET   9          2HG       MET   9   4.154   2.625   0.044
   58   2HG   MET   9          3HG       MET   9   2.680   2.095  -0.758
   59   1HE   MET   9          1HE       MET   9   0.577   3.824  -1.136
   60   2HE   MET   9          2HE       MET   9   0.649   4.501   0.510
   61   3HE   MET   9          3HE       MET   9   0.692   5.565  -0.903
   62    H    ALA  10           HN       ALA  10   3.763   2.035   4.014
   63    HA   ALA  10           HA       ALA  10   6.600   1.893   3.546
   64   1HB   ALA  10          3HB       ALA  10   5.403   3.587   4.939
   65   2HB   ALA  10          1HB       ALA  10   4.994   2.301   6.083
   66   3HB   ALA  10          2HB       ALA  10   6.694   2.752   5.805
   67    H    SER  11           HN       SER  11   4.139  -0.148   4.925
   68    HA   SER  11           HA       SER  11   6.030  -2.157   5.965
   69   1HB   SER  11          2HB       SER  11   2.989  -2.203   5.813
   70   2HB   SER  11          3HB       SER  11   4.025  -3.332   6.716
   71    HG   SER  11           HG       SER  11   3.884  -0.536   7.108
   72    H    CYS  12           HN       CYS  12   4.358  -1.457   2.919
   73    HA   CYS  12           HA       CYS  12   4.738  -2.417   0.933
   74   1HB   CYS  12          2HB       CYS  12   6.808  -4.146   2.313
   75   2HB   CYS  12          3HB       CYS  12   6.521  -4.044   0.576
   76    H    GLU  13           HN       GLU  13   2.780  -3.536   3.019
   77    HA   GLU  13           HA       GLU  13   2.417  -6.301   1.965
   78   1HB   GLU  13          2HB       GLU  13   0.662  -6.293   3.882
   79   2HB   GLU  13          3HB       GLU  13   2.373  -6.581   4.184
   80   1HG   GLU  13          2HG       GLU  13   2.685  -4.309   4.991
   81   2HG   GLU  13          3HG       GLU  13   0.985  -3.917   4.650
   82    H    HIS  14           HN       HIS  14   1.376  -6.120   0.061
   83    HA   HIS  14           HA       HIS  14  -0.567  -4.101  -0.632
   84   1HB   HIS  14          2HB       HIS  14  -0.705  -5.157  -2.602
   85   2HB   HIS  14          3HB       HIS  14   0.754  -5.971  -2.063
   86    HD1  HIS  14           HD1      HIS  14  -3.129  -6.637  -1.993
   87    HD2  HIS  14           HD2      HIS  14   0.607  -8.568  -2.183
   88    HE1  HIS  14           HE1      HIS  14  -3.605  -9.118  -2.135
   89    H    THR  15           HN       THR  15  -0.642  -7.107   1.186
   90    HA   THR  15           HA       THR  15  -3.353  -7.730   0.870
   91    HB   THR  15           HB       THR  15  -2.912  -9.146   2.887
   92    HG1  THR  15          1HG       THR  15  -0.823  -8.962   3.824
   93   1HG2  THR  15          2HG2      THR  15  -0.583  -9.113   0.876
   94   2HG2  THR  15          3HG2      THR  15  -1.016 -10.420   1.969
   95   3HG2  THR  15          1HG2      THR  15  -2.139  -9.945   0.672
   96    H    MET  16           HN       MET  16  -1.731  -5.310   2.890
   97    HA   MET  16           HA       MET  16  -4.228  -4.690   4.344
   98   1HB   MET  16          2HB       MET  16  -1.320  -4.742   4.914
   99   2HB   MET  16          3HB       MET  16  -2.128  -3.311   5.461
  100   1HG   MET  16          2HG       MET  16  -2.265  -5.106   7.193
  101   2HG   MET  16          3HG       MET  16  -3.854  -4.612   6.574
  102   1HE   MET  16          3HE       MET  16  -4.593  -6.759   8.057
  103   2HE   MET  16          1HE       MET  16  -5.589  -6.239   6.670
  104   3HE   MET  16          2HE       MET  16  -5.266  -7.957   6.924
  105    H    CYS  17           HN       CYS  17  -3.303  -3.905   1.417
  106    HA   CYS  17           HA       CYS  17  -2.939  -1.111   1.479
  107   1HB   CYS  17          2HB       CYS  17  -3.789  -3.159  -0.518
  108   2HB   CYS  17          3HB       CYS  17  -4.420  -1.580  -0.771
  109    H    GLY  18           HN       GLY  18  -5.719  -2.917   2.535
  110   1HA   GLY  18          1HA       GLY  18  -7.778  -1.118   1.758
  111   2HA   GLY  18          2HA       GLY  18  -7.824  -2.272   3.097
  112    OH   TYR  19           OH       TYR  19  -4.766  -3.604   9.279
  113    H    TYR  19           HN       TYR  19  -5.195  -0.712   4.145
  114    HA   TYR  19           HA       TYR  19  -6.621   1.247   5.740
  115   1HB   TYR  19          2HB       TYR  19  -3.662   0.850   5.186
  116   2HB   TYR  19          3HB       TYR  19  -4.336   1.887   6.435
  117    HD1  TYR  19           HD2      TYR  19  -6.360   0.388   7.807
  118    HD2  TYR  19           HD1      TYR  19  -2.633  -1.052   6.220
  119    HE1  TYR  19           HE2      TYR  19  -6.599  -1.699   9.110
  120    HE2  TYR  19           HE1      TYR  19  -2.684  -2.903   7.792
  121    HH   TYR  19           HH       TYR  19  -4.033  -4.195   9.076
  122    H    CYS  20           HN       CYS  20  -4.864   1.271   2.678
  123    HA   CYS  20           HA       CYS  20  -5.252   4.183   2.163
  124   1HB   CYS  20          2HB       CYS  20  -4.388   1.961   0.282
  125   2HB   CYS  20          3HB       CYS  20  -4.412   3.666  -0.009
  126    H    GLN  21           HN       GLN  21  -6.515   4.455  -0.074
  127    HA   GLN  21           HA       GLN  21  -8.657   2.605  -0.564
  128   1HB   GLN  21          2HB       GLN  21 -10.487   4.022   0.103
  129   2HB   GLN  21          3HB       GLN  21  -9.565   3.594   1.511
  130   1HG   GLN  21          2HG       GLN  21  -8.486   5.766   1.615
  131   2HG   GLN  21          3HG       GLN  21  -9.155   6.260   0.052
  132   1HE2  GLN  21          2HE2      GLN  21 -12.587   6.373   1.441
  133   2HE2  GLN  21          1HE2      GLN  21 -11.761   5.662   0.056
  134    H    GLY  22           HN       GLY  22 -10.304   3.909  -2.042
  135   1HA   GLY  22          1HA       GLY  22 -10.597   5.087  -4.011
  136   2HA   GLY  22          2HA       GLY  22  -9.776   6.332  -3.095
  137    HA   PRO  23           HA       PRO  23  -6.855   5.628  -6.589
  138   1HB   PRO  23          2HB       PRO  23  -5.378   7.924  -6.337
  139   2HB   PRO  23          3HB       PRO  23  -6.992   7.866  -7.101
  140   1HG   PRO  23          2HG       PRO  23  -6.320   8.684  -4.267
  141   2HG   PRO  23          3HG       PRO  23  -7.372   9.528  -5.428
  142   1HD   PRO  23          2HD       PRO  23  -8.319   7.861  -3.491
  143   2HD   PRO  23          3HD       PRO  23  -9.133   7.969  -5.083
  144    H    LEU  24           HN       LEU  24  -6.155   6.570  -3.218
  145    HA   LEU  24           HA       LEU  24  -3.406   5.935  -3.262
  146   1HB   LEU  24          2HB       LEU  24  -5.454   6.179  -1.039
  147   2HB   LEU  24          3HB       LEU  24  -3.830   5.571  -0.724
  148    HG   LEU  24           HG       LEU  24  -4.385   8.294  -1.902
  149   1HD1  LEU  24          1HD1      LEU  24  -5.016   7.818   0.514
  150   2HD1  LEU  24          2HD1      LEU  24  -3.315   7.422   0.812
  151   3HD1  LEU  24          3HD1      LEU  24  -3.747   9.057   0.299
  152   1HD2  LEU  24          3HD2      LEU  24  -1.861   6.776  -1.079
  153   2HD2  LEU  24          1HD2      LEU  24  -2.188   7.559  -2.648
  154   3HD2  LEU  24          2HD2      LEU  24  -1.932   8.547  -1.203
  155    OH   TYR  25           OH       TYR  25  -6.828  -4.260  -2.853
  156    H    TYR  25           HN       TYR  25  -6.246   3.878  -2.877
  157    HA   TYR  25           HA       TYR  25  -4.916   1.479  -1.997
  158   1HB   TYR  25          2HB       TYR  25  -7.386   1.801  -2.155
  159   2HB   TYR  25          3HB       TYR  25  -7.277   1.783  -3.909
  160    HD1  TYR  25           HD2      TYR  25  -6.903  -0.213  -0.798
  161    HD2  TYR  25           HD1      TYR  25  -7.030  -0.318  -5.105
  162    HE1  TYR  25           HE2      TYR  25  -6.851  -2.694  -0.742
  163    HE2  TYR  25           HE1      TYR  25  -7.043  -2.806  -5.032
  164    HH   TYR  25           HH       TYR  25  -7.734  -4.574  -2.995
  165    H    MET  26           HN       MET  26  -5.503   2.745  -5.359
  166    HA   MET  26           HA       MET  26  -4.053   0.548  -6.498
  167   1HB   MET  26          2HB       MET  26  -5.247   3.091  -7.510
  168   2HB   MET  26          3HB       MET  26  -3.784   2.569  -8.361
  169   1HG   MET  26          2HG       MET  26  -4.676   0.304  -8.592
  170   2HG   MET  26          3HG       MET  26  -6.187   0.810  -7.810
  171   1HE   MET  26          2HE       MET  26  -5.663  -0.826 -10.425
  172   2HE   MET  26          3HE       MET  26  -7.304  -0.495  -9.822
  173   3HE   MET  26          1HE       MET  26  -6.895  -0.188 -11.523
  174    H    THR  27           HN       THR  27  -3.048   3.707  -5.252
  175    HA   THR  27           HA       THR  27  -0.436   3.446  -6.331
  176    HB   THR  27           HB       THR  27  -1.684   5.236  -4.287
  177    HG1  THR  27          1HG       THR  27  -1.346   5.262  -6.870
  178   1HG2  THR  27          3HG2      THR  27   1.287   5.161  -4.955
  179   2HG2  THR  27          1HG2      THR  27   0.459   6.527  -4.175
  180   3HG2  THR  27          2HG2      THR  27   0.547   4.975  -3.352
  181    H    CYS  28           HN       CYS  28  -1.614   2.762  -3.014
  182    HA   CYS  28           HA       CYS  28   0.888   1.792  -2.102
  183   1HB   CYS  28          2HB       CYS  28  -0.314   0.918  -0.245
  184   2HB   CYS  28          3HB       CYS  28  -1.124   2.406  -0.778
  185    H    ILE  29           HN       ILE  29  -1.749   0.286  -4.087
  186    HA   ILE  29           HA       ILE  29  -0.673  -2.264  -3.755
  187    HB   ILE  29           HB       ILE  29  -2.403  -1.086  -5.945
  188   1HG1  ILE  29          2HG1      ILE  29  -3.466  -1.668  -3.724
  189   2HG1  ILE  29          3HG1      ILE  29  -4.097  -2.578  -5.092
  190   1HG2  ILE  29          3HG2      ILE  29  -1.119  -3.823  -5.807
  191   2HG2  ILE  29          1HG2      ILE  29  -2.583  -3.502  -6.763
  192   3HG2  ILE  29          2HG2      ILE  29  -1.063  -2.665  -7.127
  193   1HD1  ILE  29          1HD1      ILE  29  -2.648  -4.511  -4.427
  194   2HD1  ILE  29          2HD1      ILE  29  -2.099  -3.565  -3.030
  195   3HD1  ILE  29          3HD1      ILE  29  -3.795  -3.998  -3.178
  196    H    GLY  30           HN       GLY  30  -0.212   0.049  -6.452
  197   1HA   GLY  30          1HA       GLY  30   1.587  -1.431  -7.940
  198   2HA   GLY  30          2HA       GLY  30   1.633   0.332  -7.850
  199    H    ILE  31           HN       ILE  31   2.303   0.560  -5.063
  200    HA   ILE  31           HA       ILE  31   5.181   0.176  -5.187
  201    HB   ILE  31           HB       ILE  31   3.171   1.324  -3.225
  202   1HG1  ILE  31          2HG1      ILE  31   5.761   2.460  -4.398
  203   2HG1  ILE  31          3HG1      ILE  31   4.224   2.504  -5.269
  204   1HG2  ILE  31          2HG2      ILE  31   6.065   0.598  -2.651
  205   2HG2  ILE  31          3HG2      ILE  31   5.226   1.874  -1.763
  206   3HG2  ILE  31          1HG2      ILE  31   4.630   0.228  -1.665
  207   1HD1  ILE  31          2HD1      ILE  31   3.161   3.704  -3.374
  208   2HD1  ILE  31          3HD1      ILE  31   4.756   3.836  -2.595
  209   3HD1  ILE  31          1HD1      ILE  31   4.468   4.610  -4.156
  210    H    THR  32           HN       THR  32   2.679  -1.174  -2.923
  211    HA   THR  32           HA       THR  32   4.541  -2.855  -1.604
  212    HB   THR  32           HB       THR  32   2.555  -4.104  -0.827
  213    HG1  THR  32          1HG       THR  32   1.216  -2.378  -2.637
  214   1HG2  THR  32          1HG2      THR  32   3.248  -1.409  -0.281
  215   2HG2  THR  32          2HG2      THR  32   1.495  -1.372  -0.467
  216   3HG2  THR  32          3HG2      THR  32   2.214  -2.444   0.718
  217    H    THR  33           HN       THR  33   2.515  -3.496  -4.457
  218    HA   THR  33           HA       THR  33   3.394  -6.229  -4.663
  219    HB   THR  33           HB       THR  33   1.903  -6.374  -6.547
  220    HG1  THR  33          1HG       THR  33   2.227  -4.377  -7.569
  221   1HG2  THR  33          3HG2      THR  33   1.049  -6.429  -4.262
  222   2HG2  THR  33          1HG2      THR  33   0.636  -4.706  -4.401
  223   3HG2  THR  33          2HG2      THR  33  -0.125  -5.901  -5.463
  224    H    ASP  34           HN       ASP  34   5.142  -3.467  -5.097
  225    HA   ASP  34           HA       ASP  34   6.659  -4.392  -7.456
  226   1HB   ASP  34          2HB       ASP  34   6.566  -2.176  -7.838
  227   2HB   ASP  34          3HB       ASP  34   6.102  -1.787  -6.203
  228    HA   PRO  35           HA       PRO  35   9.684  -6.124  -4.622
  229   1HB   PRO  35          2HB       PRO  35  11.943  -6.141  -6.186
  230   2HB   PRO  35          3HB       PRO  35  10.568  -7.258  -6.398
  231   1HG   PRO  35          2HG       PRO  35  11.112  -4.679  -7.907
  232   2HG   PRO  35          3HG       PRO  35  10.690  -6.274  -8.596
  233   1HD   PRO  35          2HD       PRO  35   8.804  -4.376  -8.232
  234   2HD   PRO  35          3HD       PRO  35   8.433  -6.077  -7.855
  235    H    GLU  36           HN       GLU  36  10.290  -3.038  -6.306
  236    HA   GLU  36           HA       GLU  36  12.617  -2.435  -4.827
  237   1HB   GLU  36          2HB       GLU  36  11.737  -1.684  -7.185
  238   2HB   GLU  36          3HB       GLU  36  10.982  -0.354  -6.301
  239   1HG   GLU  36          2HG       GLU  36  13.205   0.365  -5.507
  240   2HG   GLU  36          3HG       GLU  36  13.890  -1.178  -6.018
  241    H    CYS  37           HN       CYS  37   9.573  -2.592  -3.742
  242    HA   CYS  37           HA       CYS  37   9.335  -0.329  -1.965
  243   1HB   CYS  37          2HB       CYS  37   7.520  -1.837  -2.691
  244   2HB   CYS  37          3HB       CYS  37   8.112  -3.083  -1.597
  245    H    GLY  38           HN       GLY  38  11.484  -0.104  -1.281
  246   1HA   GLY  38          1HA       GLY  38  13.000  -0.099   0.454
  247   2HA   GLY  38          2HA       GLY  38  11.961  -1.218   1.352
  248    H    LEU  39           HN       LEU  39  14.155  -1.132  -1.495
  249    HA   LEU  39           HA       LEU  39  14.584  -4.009  -1.259
  250   1HB   LEU  39          2HB       LEU  39  13.954  -2.841  -3.306
  251   2HB   LEU  39          3HB       LEU  39  15.583  -2.189  -3.432
  252    HG   LEU  39           HG       LEU  39  15.060  -4.157  -4.772
  253   1HD1  LEU  39          1HD1      LEU  39  17.390  -3.625  -4.088
  254   2HD1  LEU  39          2HD1      LEU  39  17.253  -4.887  -2.850
  255   3HD1  LEU  39          3HD1      LEU  39  17.098  -5.315  -4.555
  256   1HD2  LEU  39          3HD2      LEU  39  13.557  -5.403  -3.313
  257   2HD2  LEU  39          1HD2      LEU  39  14.828  -6.390  -4.038
  258   3HD2  LEU  39          2HD2      LEU  39  14.933  -5.933  -2.338
  259    HA   PRO  40           HA       PRO  40  18.692  -2.799   0.425
  260   1HB   PRO  40          2HB       PRO  40  19.220  -5.006   1.859
  261   2HB   PRO  40          3HB       PRO  40  17.786  -4.019   2.231
  262   1HG   PRO  40          2HG       PRO  40  17.977  -6.575   0.683
  263   2HG   PRO  40          3HG       PRO  40  16.762  -6.130   1.902
  264   1HD   PRO  40          2HD       PRO  40  16.563  -5.852  -0.925
  265   2HD   PRO  40          3HD       PRO  40  15.454  -5.105   0.214
   
  Start of MODEL          11
 Raw file had  265 H/Q atoms
  Start of MODEL   11
    1   1H    ASP   1          3HN       ASP   1  -2.394  -2.985  14.587
    2   2H    ASP   1          1HN       ASP   1  -1.478  -2.187  15.710
    3   3H    ASP   1          2HN       ASP   1  -2.694  -3.201  16.184
    4    HA   ASP   1           HA       ASP   1  -4.259  -1.732  15.980
    5   1HB   ASP   1          2HB       ASP   1  -3.658   0.487  16.445
    6   2HB   ASP   1          3HB       ASP   1  -2.233  -0.377  16.989
    7    HA   PRO   2           HA       PRO   2  -5.299  -1.032  11.760
    8   1HB   PRO   2          2HB       PRO   2  -7.095   1.037  11.844
    9   2HB   PRO   2          3HB       PRO   2  -7.474  -0.659  12.246
   10   1HG   PRO   2          2HG       PRO   2  -6.864   1.603  14.135
   11   2HG   PRO   2          3HG       PRO   2  -8.108   0.356  14.318
   12   1HD   PRO   2          2HD       PRO   2  -5.687   0.254  15.583
   13   2HD   PRO   2          3HD       PRO   2  -6.500  -1.242  15.039
   14    H    MET   3           HN       MET   3  -3.451  -0.442  10.962
   15    HA   MET   3           HA       MET   3  -1.865   1.837  11.427
   16   1HB   MET   3          2HB       MET   3  -0.465   0.893   9.966
   17   2HB   MET   3          3HB       MET   3  -1.355  -0.496  10.526
   18   1HG   MET   3          2HG       MET   3  -2.896  -0.246   8.586
   19   2HG   MET   3          3HG       MET   3  -1.899   1.036   7.953
   20   1HE   MET   3          1HE       MET   3  -1.993  -2.735   8.756
   21   2HE   MET   3          2HE       MET   3  -0.527  -3.312   7.923
   22   3HE   MET   3          3HE       MET   3  -0.370  -2.389   9.440
   23    H    THR   4           HN       THR   4  -1.194   3.356   9.610
   24    HA   THR   4           HA       THR   4  -3.566   4.616   8.410
   25    HB   THR   4           HB       THR   4  -1.990   6.327   7.799
   26    HG1  THR   4          1HG       THR   4   0.189   5.725   9.044
   27   1HG2  THR   4          3HG2      THR   4  -2.971   6.306  10.147
   28   2HG2  THR   4          1HG2      THR   4  -1.485   5.526  10.716
   29   3HG2  THR   4          2HG2      THR   4  -1.420   7.162  10.029
   30    H    CYS   5           HN       CYS   5  -3.637   5.194   6.214
   31    HA   CYS   5           HA       CYS   5  -2.968   3.359   4.236
   32   1HB   CYS   5          2HB       CYS   5  -4.445   5.157   3.757
   33   2HB   CYS   5          3HB       CYS   5  -3.234   6.384   4.154
   34    H    GLU   6           HN       GLU   6  -0.904   6.020   5.545
   35    HA   GLU   6           HA       GLU   6   1.330   5.609   3.840
   36   1HB   GLU   6          2HB       GLU   6   1.293   7.492   5.406
   37   2HB   GLU   6          3HB       GLU   6   1.152   6.436   6.797
   38   1HG   GLU   6          2HG       GLU   6   3.543   5.638   6.107
   39   2HG   GLU   6          3HG       GLU   6   3.558   7.077   5.079
   40    H    GLN   7           HN       GLN   7   0.686   4.269   7.143
   41    HA   GLN   7           HA       GLN   7   2.890   2.580   7.327
   42   1HB   GLN   7          2HB       GLN   7   0.096   2.400   8.485
   43   2HB   GLN   7          3HB       GLN   7   1.242   1.066   8.636
   44   1HG   GLN   7          2HG       GLN   7   1.093   2.586  10.562
   45   2HG   GLN   7          3HG       GLN   7   2.713   2.236   9.958
   46   1HE2  GLN   7          2HE2      GLN   7   3.262   5.696   8.820
   47   2HE2  GLN   7          1HE2      GLN   7   3.586   4.056   8.362
   48    H    ALA   8           HN       ALA   8  -0.267   1.745   5.824
   49    HA   ALA   8           HA       ALA   8   0.483  -0.907   5.159
   50   1HB   ALA   8          3HB       ALA   8  -1.788  -0.101   4.905
   51   2HB   ALA   8          1HB       ALA   8  -1.313   0.942   3.548
   52   3HB   ALA   8          2HB       ALA   8  -1.197  -0.830   3.406
   53    H    MET   9           HN       MET   9   1.148   2.136   3.284
   54    HA   MET   9           HA       MET   9   2.510   0.754   1.182
   55   1HB   MET   9          2HB       MET   9   3.121   3.609   2.164
   56   2HB   MET   9          3HB       MET   9   3.490   2.924   0.585
   57   1HG   MET   9          2HG       MET   9   1.197   2.960  -0.016
   58   2HG   MET   9          3HG       MET   9   0.714   3.546   1.580
   59   1HE   MET   9          3HE       MET   9  -0.213   4.898  -1.031
   60   2HE   MET   9          1HE       MET   9  -0.541   5.538   0.597
   61   3HE   MET   9          2HE       MET   9   0.087   6.628  -0.665
   62    H    ALA  10           HN       ALA  10   3.631   2.409   4.008
   63    HA   ALA  10           HA       ALA  10   6.385   2.293   3.513
   64   1HB   ALA  10          3HB       ALA  10   4.758   2.473   6.079
   65   2HB   ALA  10          1HB       ALA  10   6.468   2.937   5.932
   66   3HB   ALA  10          2HB       ALA  10   5.206   3.835   5.049
   67    H    SER  11           HN       SER  11   4.146  -0.020   4.853
   68    HA   SER  11           HA       SER  11   6.322  -1.776   5.916
   69   1HB   SER  11          2HB       SER  11   4.526  -3.344   6.489
   70   2HB   SER  11          3HB       SER  11   4.369  -1.755   7.246
   71    HG   SER  11           HG       SER  11   2.803  -1.225   5.671
   72    H    CYS  12           HN       CYS  12   4.451  -1.293   2.976
   73    HA   CYS  12           HA       CYS  12   4.397  -2.278   1.057
   74   1HB   CYS  12          2HB       CYS  12   7.111  -3.235   1.809
   75   2HB   CYS  12          3HB       CYS  12   6.335  -3.854   0.352
   76    H    GLU  13           HN       GLU  13   2.793  -3.082   2.967
   77    HA   GLU  13           HA       GLU  13   2.450  -5.977   2.435
   78   1HB   GLU  13          2HB       GLU  13   1.895  -4.289   4.810
   79   2HB   GLU  13          3HB       GLU  13   0.495  -5.227   4.288
   80   1HG   GLU  13          2HG       GLU  13   3.228  -6.438   4.668
   81   2HG   GLU  13          3HG       GLU  13   1.962  -6.433   5.913
   82    H    HIS  14           HN       HIS  14   1.461  -6.064   0.507
   83    HA   HIS  14           HA       HIS  14  -0.464  -4.056  -0.387
   84   1HB   HIS  14          2HB       HIS  14  -0.328  -5.021  -2.341
   85   2HB   HIS  14          3HB       HIS  14   1.068  -5.876  -1.689
   86    HD1  HIS  14           HD1      HIS  14  -2.785  -6.455  -2.130
   87    HD2  HIS  14           HD2      HIS  14   0.901  -8.452  -1.796
   88    HE1  HIS  14           HE1      HIS  14  -3.291  -8.912  -2.375
   89    H    THR  15           HN       THR  15  -0.530  -7.050   1.603
   90    HA   THR  15           HA       THR  15  -3.276  -7.525   0.927
   91    HB   THR  15           HB       THR  15  -3.342  -9.146   2.675
   92    HG1  THR  15          1HG       THR  15  -0.798  -8.150   3.464
   93   1HG2  THR  15          1HG2      THR  15  -2.135  -9.704   0.584
   94   2HG2  THR  15          2HG2      THR  15  -0.614  -9.157   1.292
   95   3HG2  THR  15          3HG2      THR  15  -1.427 -10.559   1.967
   96    H    MET  16           HN       MET  16  -1.689  -5.337   3.242
   97    HA   MET  16           HA       MET  16  -4.254  -4.584   4.459
   98   1HB   MET  16          2HB       MET  16  -1.369  -4.511   5.185
   99   2HB   MET  16          3HB       MET  16  -2.238  -3.084   5.573
  100   1HG   MET  16          2HG       MET  16  -2.461  -4.645   7.461
  101   2HG   MET  16          3HG       MET  16  -4.014  -4.365   6.662
  102   1HE   MET  16          1HE       MET  16  -5.447  -6.171   7.283
  103   2HE   MET  16          2HE       MET  16  -4.933  -7.834   7.591
  104   3HE   MET  16          3HE       MET  16  -4.266  -6.505   8.577
  105    H    CYS  17           HN       CYS  17  -2.947  -3.883   1.560
  106    HA   CYS  17           HA       CYS  17  -2.790  -1.049   1.630
  107   1HB   CYS  17          2HB       CYS  17  -3.000  -3.128  -0.443
  108   2HB   CYS  17          3HB       CYS  17  -3.893  -1.703  -0.830
  109    H    GLY  18           HN       GLY  18  -5.466  -3.085   2.291
  110   1HA   GLY  18          1HA       GLY  18  -7.721  -1.610   1.527
  111   2HA   GLY  18          2HA       GLY  18  -7.545  -2.593   2.987
  112    OH   TYR  19           OH       TYR  19  -6.568  -2.364  10.063
  113    H    TYR  19           HN       TYR  19  -5.273  -0.856   4.074
  114    HA   TYR  19           HA       TYR  19  -6.940   1.089   5.374
  115   1HB   TYR  19          2HB       TYR  19  -3.954   0.619   5.306
  116   2HB   TYR  19          3HB       TYR  19  -4.671   1.992   6.135
  117    HD1  TYR  19           HD2      TYR  19  -6.599   1.546   7.807
  118    HD2  TYR  19           HD1      TYR  19  -4.001  -1.580   6.410
  119    HE1  TYR  19           HE2      TYR  19  -7.345   0.119   9.655
  120    HE2  TYR  19           HE1      TYR  19  -4.732  -3.005   8.304
  121    HH   TYR  19           HH       TYR  19  -6.720  -3.225   9.647
  122    H    CYS  20           HN       CYS  20  -5.049   1.203   2.400
  123    HA   CYS  20           HA       CYS  20  -5.510   4.148   2.035
  124   1HB   CYS  20          2HB       CYS  20  -4.252   2.058   0.289
  125   2HB   CYS  20          3HB       CYS  20  -4.492   3.748  -0.114
  126    H    GLN  21           HN       GLN  21  -7.007   4.836   0.396
  127    HA   GLN  21           HA       GLN  21  -8.755   2.792  -0.754
  128   1HB   GLN  21          2HB       GLN  21 -10.014   5.032   0.845
  129   2HB   GLN  21          3HB       GLN  21 -10.738   3.506   0.343
  130   1HG   GLN  21          2HG       GLN  21  -9.353   2.304   2.028
  131   2HG   GLN  21          3HG       GLN  21  -8.628   3.837   2.542
  132   1HE2  GLN  21          2HE2      GLN  21 -11.873   4.979   3.917
  133   2HE2  GLN  21          1HE2      GLN  21 -10.631   5.638   2.858
  134    H    GLY  22           HN       GLY  22 -10.274   3.694  -2.288
  135   1HA   GLY  22          1HA       GLY  22 -10.691   4.938  -4.162
  136   2HA   GLY  22          2HA       GLY  22  -9.982   6.353  -3.376
  137    HA   PRO  23           HA       PRO  23  -6.968   4.940  -6.625
  138   1HB   PRO  23          2HB       PRO  23  -5.531   7.268  -6.867
  139   2HB   PRO  23          3HB       PRO  23  -7.117   7.013  -7.641
  140   1HG   PRO  23          2HG       PRO  23  -6.525   8.393  -5.025
  141   2HG   PRO  23          3HG       PRO  23  -7.551   8.997  -6.359
  142   1HD   PRO  23          2HD       PRO  23  -8.632   7.768  -4.212
  143   2HD   PRO  23          3HD       PRO  23  -9.280   7.409  -5.844
  144    H    LEU  24           HN       LEU  24  -6.271   6.523  -3.502
  145    HA   LEU  24           HA       LEU  24  -3.578   5.859  -3.370
  146   1HB   LEU  24          2HB       LEU  24  -5.718   6.299  -1.290
  147   2HB   LEU  24          3HB       LEU  24  -4.127   5.732  -0.791
  148    HG   LEU  24           HG       LEU  24  -4.516   8.236  -2.445
  149   1HD1  LEU  24          3HD1      LEU  24  -4.061   7.793   0.538
  150   2HD1  LEU  24          1HD1      LEU  24  -4.049   9.367  -0.284
  151   3HD1  LEU  24          2HD1      LEU  24  -5.543   8.404  -0.237
  152   1HD2  LEU  24          1HD2      LEU  24  -2.209   6.935  -0.938
  153   2HD2  LEU  24          2HD2      LEU  24  -2.242   7.325  -2.677
  154   3HD2  LEU  24          3HD2      LEU  24  -2.175   8.627  -1.486
  155    OH   TYR  25           OH       TYR  25  -6.373  -4.449  -3.847
  156    H    TYR  25           HN       TYR  25  -6.355   3.704  -3.050
  157    HA   TYR  25           HA       TYR  25  -4.946   1.479  -1.858
  158   1HB   TYR  25          2HB       TYR  25  -7.348   1.376  -2.148
  159   2HB   TYR  25          3HB       TYR  25  -7.192   1.600  -3.894
  160    HD1  TYR  25           HD2      TYR  25  -5.844  -0.724  -1.273
  161    HD2  TYR  25           HD1      TYR  25  -7.476  -0.285  -5.216
  162    HE1  TYR  25           HE2      TYR  25  -5.567  -3.183  -1.660
  163    HE2  TYR  25           HE1      TYR  25  -7.181  -2.711  -5.612
  164    HH   TYR  25           HH       TYR  25  -5.631  -4.930  -3.446
  165    H    MET  26           HN       MET  26  -5.443   2.547  -5.299
  166    HA   MET  26           HA       MET  26  -3.899   0.414  -6.364
  167   1HB   MET  26          2HB       MET  26  -4.686   3.136  -7.502
  168   2HB   MET  26          3HB       MET  26  -3.998   1.782  -8.375
  169   1HG   MET  26          2HG       MET  26  -6.691   1.813  -6.964
  170   2HG   MET  26          3HG       MET  26  -6.420   1.846  -8.694
  171   1HE   MET  26          3HE       MET  26  -4.024  -0.443  -8.881
  172   2HE   MET  26          1HE       MET  26  -5.024  -1.865  -9.230
  173   3HE   MET  26          2HE       MET  26  -5.356  -0.329 -10.059
  174    H    THR  27           HN       THR  27  -3.075   3.727  -5.283
  175    HA   THR  27           HA       THR  27  -0.421   3.571  -6.359
  176    HB   THR  27           HB       THR  27  -1.749   5.389  -4.390
  177    HG1  THR  27          1HG       THR  27  -1.958   5.701  -6.671
  178   1HG2  THR  27          1HG2      THR  27   1.212   5.420  -5.115
  179   2HG2  THR  27          2HG2      THR  27   0.341   6.767  -4.363
  180   3HG2  THR  27          3HG2      THR  27   0.529   5.254  -3.481
  181    H    CYS  28           HN       CYS  28  -1.566   3.149  -2.970
  182    HA   CYS  28           HA       CYS  28   0.904   2.204  -1.972
  183   1HB   CYS  28          2HB       CYS  28  -0.297   1.398  -0.113
  184   2HB   CYS  28          3HB       CYS  28  -1.250   2.768  -0.736
  185    H    ILE  29           HN       ILE  29  -1.594   0.468  -3.968
  186    HA   ILE  29           HA       ILE  29  -0.387  -2.005  -3.537
  187    HB   ILE  29           HB       ILE  29  -2.127  -0.999  -5.779
  188   1HG1  ILE  29          2HG1      ILE  29  -3.188  -1.579  -3.573
  189   2HG1  ILE  29          3HG1      ILE  29  -3.733  -2.572  -4.922
  190   1HG2  ILE  29          3HG2      ILE  29  -0.666  -3.638  -5.587
  191   2HG2  ILE  29          1HG2      ILE  29  -2.137  -3.423  -6.559
  192   3HG2  ILE  29          2HG2      ILE  29  -0.676  -2.495  -6.933
  193   1HD1  ILE  29          1HD1      ILE  29  -2.186  -4.383  -4.120
  194   2HD1  ILE  29          2HD1      ILE  29  -1.739  -3.349  -2.748
  195   3HD1  ILE  29          3HD1      ILE  29  -3.395  -3.886  -2.914
  196    H    GLY  30           HN       GLY  30   0.019   0.291  -6.202
  197   1HA   GLY  30          1HA       GLY  30   2.057  -0.825  -7.664
  198   2HA   GLY  30          2HA       GLY  30   1.937   0.918  -7.345
  199    H    ILE  31           HN       ILE  31   2.437   1.078  -4.666
  200    HA   ILE  31           HA       ILE  31   5.322   0.768  -4.546
  201    HB   ILE  31           HB       ILE  31   3.147   1.688  -2.640
  202   1HG1  ILE  31          2HG1      ILE  31   5.758   3.032  -3.455
  203   2HG1  ILE  31          3HG1      ILE  31   4.341   3.066  -4.516
  204   1HG2  ILE  31          2HG2      ILE  31   6.046   1.103  -1.898
  205   2HG2  ILE  31          3HG2      ILE  31   5.005   2.191  -0.970
  206   3HG2  ILE  31          1HG2      ILE  31   4.584   0.495  -1.089
  207   1HD1  ILE  31          1HD1      ILE  31   4.300   4.125  -1.654
  208   2HD1  ILE  31          2HD1      ILE  31   4.538   5.076  -3.118
  209   3HD1  ILE  31          3HD1      ILE  31   3.004   4.213  -2.866
  210    H    THR  32           HN       THR  32   2.768  -0.834  -2.601
  211    HA   THR  32           HA       THR  32   4.563  -2.464  -1.189
  212    HB   THR  32           HB       THR  32   2.551  -3.816  -0.612
  213    HG1  THR  32          1HG       THR  32   1.326  -2.047  -2.459
  214   1HG2  THR  32          2HG2      THR  32   3.050  -1.020  -0.077
  215   2HG2  THR  32          3HG2      THR  32   1.306  -1.209  -0.225
  216   3HG2  THR  32          1HG2      THR  32   2.175  -2.182   0.938
  217    H    THR  33           HN       THR  33   2.692  -3.255  -4.096
  218    HA   THR  33           HA       THR  33   3.879  -5.884  -4.308
  219    HB   THR  33           HB       THR  33   2.393  -6.227  -6.100
  220    HG1  THR  33          1HG       THR  33   1.192  -4.537  -6.997
  221   1HG2  THR  33          3HG2      THR  33   1.438  -6.157  -3.866
  222   2HG2  THR  33          1HG2      THR  33   0.917  -4.482  -4.145
  223   3HG2  THR  33          2HG2      THR  33   0.276  -5.804  -5.150
  224    H    ASP  34           HN       ASP  34   5.288  -2.887  -4.808
  225    HA   ASP  34           HA       ASP  34   6.476  -3.165  -7.369
  226   1HB   ASP  34          2HB       ASP  34   6.624  -1.102  -5.938
  227   2HB   ASP  34          3HB       ASP  34   7.674  -1.984  -4.821
  228    HA   PRO  35           HA       PRO  35   8.926  -6.869  -6.291
  229   1HB   PRO  35          2HB       PRO  35  10.787  -6.693  -8.369
  230   2HB   PRO  35          3HB       PRO  35   9.188  -7.478  -8.464
  231   1HG   PRO  35          2HG       PRO  35   9.969  -4.706  -9.352
  232   2HG   PRO  35          3HG       PRO  35   8.923  -5.883 -10.200
  233   1HD   PRO  35          2HD       PRO  35   7.926  -3.814  -8.802
  234   2HD   PRO  35          3HD       PRO  35   7.080  -5.372  -8.741
  235    H    GLU  36           HN       GLU  36  10.174  -3.593  -6.844
  236    HA   GLU  36           HA       GLU  36  12.773  -4.177  -5.775
  237   1HB   GLU  36          2HB       GLU  36  11.963  -2.436  -7.614
  238   2HB   GLU  36          3HB       GLU  36  11.541  -1.425  -6.224
  239   1HG   GLU  36          2HG       GLU  36  13.902  -1.533  -5.460
  240   2HG   GLU  36          3HG       GLU  36  14.236  -2.675  -6.761
  241    H    CYS  37           HN       CYS  37   9.912  -3.607  -4.263
  242    HA   CYS  37           HA       CYS  37  10.430  -1.493  -2.578
  243   1HB   CYS  37          2HB       CYS  37   8.204  -2.241  -2.613
  244   2HB   CYS  37          3HB       CYS  37   8.612  -3.748  -1.758
  245    H    GLY  38           HN       GLY  38  12.440  -1.340  -1.718
  246   1HA   GLY  38          1HA       GLY  38  14.113  -1.537  -0.159
  247   2HA   GLY  38          2HA       GLY  38  12.943  -2.301   0.935
  248    H    LEU  39           HN       LEU  39  13.540  -3.667  -2.229
  249    HA   LEU  39           HA       LEU  39  14.109  -6.213  -1.152
  250   1HB   LEU  39          2HB       LEU  39  12.905  -5.537  -3.280
  251   2HB   LEU  39          3HB       LEU  39  14.479  -5.306  -4.035
  252    HG   LEU  39           HG       LEU  39  13.268  -7.403  -4.508
  253   1HD1  LEU  39          3HD1      LEU  39  15.613  -7.264  -4.903
  254   2HD1  LEU  39          1HD1      LEU  39  15.985  -7.886  -3.302
  255   3HD1  LEU  39          2HD1      LEU  39  15.131  -8.916  -4.459
  256   1HD2  LEU  39          3HD2      LEU  39  12.222  -7.797  -2.359
  257   2HD2  LEU  39          1HD2      LEU  39  13.018  -9.228  -3.032
  258   3HD2  LEU  39          2HD2      LEU  39  13.768  -8.356  -1.694
  259    HA   PRO  40           HA       PRO  40  18.527  -5.300  -1.061
  260   1HB   PRO  40          2HB       PRO  40  19.538  -7.558   0.049
  261   2HB   PRO  40          3HB       PRO  40  18.519  -6.407   0.941
  262   1HG   PRO  40          2HG       PRO  40  17.719  -9.075  -0.163
  263   2HG   PRO  40          3HG       PRO  40  17.165  -8.260   1.323
  264   1HD   PRO  40          2HD       PRO  40  15.926  -8.330  -1.222
  265   2HD   PRO  40          3HD       PRO  40  15.401  -7.302   0.106
   
  Start of MODEL          12
 Raw file had  265 H/Q atoms
  Start of MODEL   12
    1   1H    ASP   1          2HN       ASP   1  -8.247   0.642   9.020
    2   2H    ASP   1          3HN       ASP   1  -8.379  -0.838   9.810
    3   3H    ASP   1          1HN       ASP   1  -9.653  -0.156   9.047
    4    HA   ASP   1           HA       ASP   1  -9.727   1.645  10.481
    5   1HB   ASP   1          2HB       ASP   1 -10.082   0.571  12.778
    6   2HB   ASP   1          3HB       ASP   1 -11.196   0.463  11.443
    7    HA   PRO   2           HA       PRO   2  -5.905   2.414  13.069
    8   1HB   PRO   2          2HB       PRO   2  -4.326   0.319  13.854
    9   2HB   PRO   2          3HB       PRO   2  -5.799   0.785  14.744
   10   1HG   PRO   2          2HG       PRO   2  -5.492  -1.399  12.673
   11   2HG   PRO   2          3HG       PRO   2  -6.282  -1.514  14.272
   12   1HD   PRO   2          2HD       PRO   2  -7.683  -1.021  11.892
   13   2HD   PRO   2          3HD       PRO   2  -8.232  -0.331  13.459
   14    H    MET   3           HN       MET   3  -3.396   2.149  12.548
   15    HA   MET   3           HA       MET   3  -1.711   2.069  11.152
   16   1HB   MET   3          2HB       MET   3  -2.233  -0.352  11.188
   17   2HB   MET   3          3HB       MET   3  -3.125  -0.142   9.666
   18   1HG   MET   3          2HG       MET   3  -1.107   0.565   8.514
   19   2HG   MET   3          3HG       MET   3  -0.229   0.666  10.045
   20   1HE   MET   3          2HE       MET   3   0.999  -0.992   7.583
   21   2HE   MET   3          3HE       MET   3   1.831  -0.974   9.169
   22   3HE   MET   3          1HE       MET   3   1.487  -2.513   8.348
   23    H    THR   4           HN       THR   4  -1.117   3.568   9.709
   24    HA   THR   4           HA       THR   4  -3.211   4.804   8.141
   25    HB   THR   4           HB       THR   4  -1.325   6.252   7.439
   26    HG1  THR   4          1HG       THR   4   0.577   5.723   8.999
   27   1HG2  THR   4          2HG2      THR   4  -2.619   6.736   9.571
   28   2HG2  THR   4          3HG2      THR   4  -1.384   5.834  10.477
   29   3HG2  THR   4          1HG2      THR   4  -0.950   7.322   9.616
   30    H    CYS   5           HN       CYS   5  -3.215   5.138   5.933
   31    HA   CYS   5           HA       CYS   5  -2.626   3.090   4.123
   32   1HB   CYS   5          2HB       CYS   5  -4.089   4.888   3.517
   33   2HB   CYS   5          3HB       CYS   5  -2.868   6.112   3.796
   34    H    GLU   6           HN       GLU   6  -0.668   5.956   5.044
   35    HA   GLU   6           HA       GLU   6   1.673   5.390   3.557
   36   1HB   GLU   6          2HB       GLU   6   1.788   7.397   4.688
   37   2HB   GLU   6          3HB       GLU   6   1.182   6.740   6.225
   38   1HG   GLU   6          2HG       GLU   6   3.474   7.457   6.388
   39   2HG   GLU   6          3HG       GLU   6   3.424   5.707   6.523
   40    H    GLN   7           HN       GLN   7   0.909   4.314   6.929
   41    HA   GLN   7           HA       GLN   7   3.114   2.656   7.189
   42   1HB   GLN   7          2HB       GLN   7   0.442   2.696   8.526
   43   2HB   GLN   7          3HB       GLN   7   1.404   1.234   8.615
   44   1HG   GLN   7          2HG       GLN   7   1.867   2.460  10.533
   45   2HG   GLN   7          3HG       GLN   7   3.314   2.399   9.536
   46   1HE2  GLN   7          2HE2      GLN   7   3.345   6.020   9.107
   47   2HE2  GLN   7          1HE2      GLN   7   3.910   4.577   8.330
   48    H    ALA   8           HN       ALA   8  -0.006   1.845   5.563
   49    HA   ALA   8           HA       ALA   8   0.565  -0.888   5.088
   50   1HB   ALA   8          3HB       ALA   8  -1.603   0.251   4.562
   51   2HB   ALA   8          1HB       ALA   8  -0.866   0.857   3.069
   52   3HB   ALA   8          2HB       ALA   8  -0.999  -0.885   3.347
   53    H    MET   9           HN       MET   9   1.392   1.981   3.005
   54    HA   MET   9           HA       MET   9   2.791   0.384   1.102
   55   1HB   MET   9          2HB       MET   9   3.394   3.282   1.810
   56   2HB   MET   9          3HB       MET   9   3.905   2.384   0.375
   57   1HG   MET   9          2HG       MET   9   2.226   3.293  -0.649
   58   2HG   MET   9          3HG       MET   9   1.236   2.093   0.208
   59   1HE   MET   9          1HE       MET   9   1.127   5.441  -1.029
   60   2HE   MET   9          2HE       MET   9  -0.375   4.476  -0.900
   61   3HE   MET   9          3HE       MET   9  -0.222   6.033  -0.039
   62    H    ALA  10           HN       ALA  10   3.885   2.187   3.854
   63    HA   ALA  10           HA       ALA  10   6.649   1.738   3.629
   64   1HB   ALA  10          1HB       ALA  10   5.472   3.496   4.911
   65   2HB   ALA  10          2HB       ALA  10   4.860   2.268   6.023
   66   3HB   ALA  10          3HB       ALA  10   6.609   2.581   5.947
   67    H    SER  11           HN       SER  11   4.086  -0.253   4.919
   68    HA   SER  11           HA       SER  11   5.929  -2.139   6.281
   69   1HB   SER  11          2HB       SER  11   3.943  -3.559   6.625
   70   2HB   SER  11          3HB       SER  11   3.798  -1.941   7.324
   71    HG   SER  11           HG       SER  11   2.595  -1.340   5.466
   72    H    CYS  12           HN       CYS  12   4.515  -1.745   3.056
   73    HA   CYS  12           HA       CYS  12   4.758  -2.933   1.224
   74   1HB   CYS  12          2HB       CYS  12   7.242  -3.315   1.880
   75   2HB   CYS  12          3HB       CYS  12   6.708  -4.955   2.331
   76    H    GLU  13           HN       GLU  13   2.702  -3.393   3.067
   77    HA   GLU  13           HA       GLU  13   2.060  -6.302   2.619
   78   1HB   GLU  13          2HB       GLU  13   1.093  -4.264   4.647
   79   2HB   GLU  13          3HB       GLU  13   0.318  -5.836   4.361
   80   1HG   GLU  13          2HG       GLU  13   3.249  -5.847   5.014
   81   2HG   GLU  13          3HG       GLU  13   2.092  -5.479   6.298
   82    H    HIS  14           HN       HIS  14   1.521  -5.814   0.329
   83    HA   HIS  14           HA       HIS  14  -0.541  -4.004  -0.445
   84   1HB   HIS  14          2HB       HIS  14  -0.644  -5.091  -2.386
   85   2HB   HIS  14          3HB       HIS  14   0.922  -5.665  -1.836
   86    HD1  HIS  14           HD1      HIS  14  -2.790  -6.840  -1.940
   87    HD2  HIS  14           HD2      HIS  14   1.113  -8.292  -1.498
   88    HE1  HIS  14           HE1      HIS  14  -2.968  -9.380  -1.841
   89    H    THR  15           HN       THR  15  -0.612  -6.989   1.395
   90    HA   THR  15           HA       THR  15  -3.264  -7.727   1.022
   91    HB   THR  15           HB       THR  15  -2.755  -8.970   3.204
   92    HG1  THR  15          1HG       THR  15  -0.640  -8.678   3.980
   93   1HG2  THR  15          2HG2      THR  15  -2.178  -9.828   0.906
   94   2HG2  THR  15          3HG2      THR  15  -0.578  -9.075   1.050
   95   3HG2  THR  15          1HG2      THR  15  -1.039 -10.374   2.157
   96    H    MET  16           HN       MET  16  -1.661  -5.360   3.203
   97    HA   MET  16           HA       MET  16  -4.126  -4.667   4.628
   98   1HB   MET  16          2HB       MET  16  -1.178  -4.413   4.944
   99   2HB   MET  16          3HB       MET  16  -2.113  -3.130   5.575
  100   1HG   MET  16          2HG       MET  16  -1.769  -4.849   7.261
  101   2HG   MET  16          3HG       MET  16  -3.492  -4.658   6.877
  102   1HE   MET  16          2HE       MET  16  -4.971  -6.286   5.914
  103   2HE   MET  16          3HE       MET  16  -4.757  -7.989   6.331
  104   3HE   MET  16          1HE       MET  16  -4.657  -6.747   7.598
  105    H    CYS  17           HN       CYS  17  -3.176  -3.945   1.636
  106    HA   CYS  17           HA       CYS  17  -2.980  -1.135   1.656
  107   1HB   CYS  17          2HB       CYS  17  -2.578  -2.793  -0.250
  108   2HB   CYS  17          3HB       CYS  17  -4.333  -2.742  -0.537
  109    H    GLY  18           HN       GLY  18  -5.568  -2.896   2.850
  110   1HA   GLY  18          1HA       GLY  18  -7.833  -1.369   1.948
  111   2HA   GLY  18          2HA       GLY  18  -7.715  -2.356   3.416
  112    OH   TYR  19           OH       TYR  19  -4.587  -3.276   9.397
  113    H    TYR  19           HN       TYR  19  -5.170  -0.709   4.242
  114    HA   TYR  19           HA       TYR  19  -6.564   1.370   5.680
  115   1HB   TYR  19          2HB       TYR  19  -3.611   1.000   5.098
  116   2HB   TYR  19          3HB       TYR  19  -4.304   2.069   6.306
  117    HD1  TYR  19           HD2      TYR  19  -6.314   0.532   7.698
  118    HD2  TYR  19           HD1      TYR  19  -2.437  -0.729   6.317
  119    HE1  TYR  19           HE2      TYR  19  -6.436  -1.451   9.148
  120    HE2  TYR  19           HE1      TYR  19  -2.556  -2.674   7.815
  121    HH   TYR  19           HH       TYR  19  -3.944  -3.972   9.184
  122    H    CYS  20           HN       CYS  20  -5.248   1.184   2.462
  123    HA   CYS  20           HA       CYS  20  -5.510   4.123   2.022
  124   1HB   CYS  20          2HB       CYS  20  -4.537   1.915   0.161
  125   2HB   CYS  20          3HB       CYS  20  -4.609   3.636  -0.147
  126    H    GLN  21           HN       GLN  21  -6.839   4.630  -0.029
  127    HA   GLN  21           HA       GLN  21  -8.857   2.676  -0.739
  128   1HB   GLN  21          2HB       GLN  21 -10.749   4.271  -0.072
  129   2HB   GLN  21          3HB       GLN  21 -10.039   3.282   1.198
  130   1HG   GLN  21          2HG       GLN  21  -8.910   5.099   2.192
  131   2HG   GLN  21          3HG       GLN  21  -9.056   6.121   0.762
  132   1HE2  GLN  21          2HE2      GLN  21 -12.446   7.117   1.386
  133   2HE2  GLN  21          1HE2      GLN  21 -11.216   6.875   0.146
  134    H    GLY  22           HN       GLY  22 -10.265   3.450  -2.442
  135   1HA   GLY  22          1HA       GLY  22 -10.408   4.205  -4.570
  136   2HA   GLY  22          2HA       GLY  22 -10.238   5.796  -3.841
  137    HA   PRO  23           HA       PRO  23  -6.748   5.682  -6.752
  138   1HB   PRO  23          2HB       PRO  23  -5.542   8.086  -6.081
  139   2HB   PRO  23          3HB       PRO  23  -7.013   7.929  -7.077
  140   1HG   PRO  23          2HG       PRO  23  -6.823   8.509  -4.109
  141   2HG   PRO  23          3HG       PRO  23  -7.774   9.394  -5.322
  142   1HD   PRO  23          2HD       PRO  23  -8.902   7.512  -3.788
  143   2HD   PRO  23          3HD       PRO  23  -9.354   7.613  -5.516
  144    H    LEU  24           HN       LEU  24  -6.342   6.538  -3.314
  145    HA   LEU  24           HA       LEU  24  -3.592   5.919  -3.242
  146   1HB   LEU  24          2HB       LEU  24  -5.728   6.276  -1.138
  147   2HB   LEU  24          3HB       LEU  24  -4.137   5.654  -0.690
  148    HG   LEU  24           HG       LEU  24  -4.547   8.262  -2.166
  149   1HD1  LEU  24          3HD1      LEU  24  -5.411   8.249   0.146
  150   2HD1  LEU  24          1HD1      LEU  24  -3.860   7.588   0.721
  151   3HD1  LEU  24          2HD1      LEU  24  -3.928   9.224   0.023
  152   1HD2  LEU  24          3HD2      LEU  24  -2.150   6.681  -1.200
  153   2HD2  LEU  24          1HD2      LEU  24  -2.343   7.593  -2.715
  154   3HD2  LEU  24          2HD2      LEU  24  -2.069   8.447  -1.193
  155    OH   TYR  25           OH       TYR  25  -6.406  -4.412  -3.182
  156    H    TYR  25           HN       TYR  25  -6.393   3.793  -3.137
  157    HA   TYR  25           HA       TYR  25  -5.054   1.499  -1.951
  158   1HB   TYR  25          2HB       TYR  25  -7.488   1.581  -2.259
  159   2HB   TYR  25          3HB       TYR  25  -7.280   1.598  -4.011
  160    HD1  TYR  25           HD2      TYR  25  -6.461  -0.367  -5.226
  161    HD2  TYR  25           HD1      TYR  25  -7.091  -0.485  -0.961
  162    HE1  TYR  25           HE2      TYR  25  -6.163  -2.804  -5.254
  163    HE2  TYR  25           HE1      TYR  25  -6.881  -2.954  -1.006
  164    HH   TYR  25           HH       TYR  25  -6.618  -4.845  -2.342
  165    H    MET  26           HN       MET  26  -5.540   2.498  -5.432
  166    HA   MET  26           HA       MET  26  -3.897   0.416  -6.379
  167   1HB   MET  26          2HB       MET  26  -4.778   3.070  -7.592
  168   2HB   MET  26          3HB       MET  26  -3.935   1.775  -8.439
  169   1HG   MET  26          2HG       MET  26  -5.803   0.197  -7.584
  170   2HG   MET  26          3HG       MET  26  -6.662   1.662  -7.136
  171   1HE   MET  26          1HE       MET  26  -5.458  -0.760  -9.812
  172   2HE   MET  26          2HE       MET  26  -5.857   0.039 -11.345
  173   3HE   MET  26          3HE       MET  26  -4.496   0.631 -10.362
  174    H    THR  27           HN       THR  27  -3.124   3.744  -5.336
  175    HA   THR  27           HA       THR  27  -0.455   3.599  -6.323
  176    HB   THR  27           HB       THR  27  -1.863   5.333  -4.333
  177    HG1  THR  27          1HG       THR  27  -1.816   5.448  -6.762
  178   1HG2  THR  27          3HG2      THR  27   1.102   5.501  -4.982
  179   2HG2  THR  27          1HG2      THR  27   0.162   6.776  -4.182
  180   3HG2  THR  27          2HG2      THR  27   0.394   5.229  -3.377
  181    H    CYS  28           HN       CYS  28  -1.734   2.961  -3.037
  182    HA   CYS  28           HA       CYS  28   0.724   2.067  -1.909
  183   1HB   CYS  28          2HB       CYS  28  -0.817   2.181  -0.293
  184   2HB   CYS  28          3HB       CYS  28  -2.187   1.796  -1.335
  185    H    ILE  29           HN       ILE  29  -1.652   0.396  -4.077
  186    HA   ILE  29           HA       ILE  29  -0.452  -2.087  -3.641
  187    HB   ILE  29           HB       ILE  29  -2.156  -1.060  -5.912
  188   1HG1  ILE  29          2HG1      ILE  29  -3.356  -1.572  -3.815
  189   2HG1  ILE  29          3HG1      ILE  29  -3.774  -2.654  -5.129
  190   1HG2  ILE  29          1HG2      ILE  29  -0.752  -3.715  -5.657
  191   2HG2  ILE  29          2HG2      ILE  29  -2.209  -3.485  -6.653
  192   3HG2  ILE  29          3HG2      ILE  29  -0.727  -2.582  -7.007
  193   1HD1  ILE  29          3HD1      ILE  29  -2.226  -4.395  -4.137
  194   2HD1  ILE  29          1HD1      ILE  29  -1.977  -3.297  -2.758
  195   3HD1  ILE  29          2HD1      ILE  29  -3.579  -3.944  -3.097
  196    H    GLY  30           HN       GLY  30  -0.107   0.238  -6.249
  197   1HA   GLY  30          1HA       GLY  30   1.898  -0.815  -7.816
  198   2HA   GLY  30          2HA       GLY  30   1.706   0.921  -7.503
  199    H    ILE  31           HN       ILE  31   2.326   0.680  -4.625
  200    HA   ILE  31           HA       ILE  31   5.288   0.486  -4.801
  201    HB   ILE  31           HB       ILE  31   3.249   1.534  -2.815
  202   1HG1  ILE  31          2HG1      ILE  31   5.852   2.815  -3.696
  203   2HG1  ILE  31          3HG1      ILE  31   4.511   2.724  -4.844
  204   1HG2  ILE  31          3HG2      ILE  31   6.153   0.810  -2.241
  205   2HG2  ILE  31          1HG2      ILE  31   5.272   2.060  -1.354
  206   3HG2  ILE  31          2HG2      ILE  31   4.709   0.385  -1.287
  207   1HD1  ILE  31          2HD1      ILE  31   4.285   3.997  -2.094
  208   2HD1  ILE  31          3HD1      ILE  31   4.532   4.851  -3.629
  209   3HD1  ILE  31          1HD1      ILE  31   3.030   3.942  -3.351
  210    H    THR  32           HN       THR  32   2.746  -0.910  -2.681
  211    HA   THR  32           HA       THR  32   4.512  -2.611  -1.368
  212    HB   THR  32           HB       THR  32   2.537  -3.852  -0.598
  213    HG1  THR  32          1HG       THR  32   1.198  -2.016  -2.324
  214   1HG2  THR  32          3HG2      THR  32   3.432  -1.622   0.305
  215   2HG2  THR  32          1HG2      THR  32   2.126  -0.848  -0.572
  216   3HG2  THR  32          2HG2      THR  32   1.753  -2.020   0.718
  217    H    THR  33           HN       THR  33   2.852  -3.192  -4.411
  218    HA   THR  33           HA       THR  33   3.809  -5.982  -4.455
  219    HB   THR  33           HB       THR  33   2.220  -6.396  -6.070
  220    HG1  THR  33          1HG       THR  33   1.563  -4.997  -7.450
  221   1HG2  THR  33          2HG2      THR  33   1.348  -6.214  -3.900
  222   2HG2  THR  33          3HG2      THR  33   0.922  -4.497  -4.151
  223   3HG2  THR  33          1HG2      THR  33   0.155  -5.767  -5.119
  224    H    ASP  34           HN       ASP  34   5.339  -3.167  -4.936
  225    HA   ASP  34           HA       ASP  34   6.450  -3.749  -7.580
  226   1HB   ASP  34          2HB       ASP  34   6.798  -1.592  -7.651
  227   2HB   ASP  34          3HB       ASP  34   6.177  -1.411  -6.015
  228    HA   PRO  35           HA       PRO  35   9.736  -6.312  -6.141
  229   1HB   PRO  35          2HB       PRO  35  11.686  -5.871  -8.023
  230   2HB   PRO  35          3HB       PRO  35  10.185  -6.788  -8.345
  231   1HG   PRO  35          2HG       PRO  35  10.736  -3.880  -8.963
  232   2HG   PRO  35          3HG       PRO  35  10.019  -5.109 -10.047
  233   1HD   PRO  35          2HD       PRO  35   8.485  -3.348  -8.684
  234   2HD   PRO  35          3HD       PRO  35   7.939  -5.036  -8.865
  235    H    GLU  36           HN       GLU  36  10.378  -2.817  -6.561
  236    HA   GLU  36           HA       GLU  36  12.752  -2.989  -4.886
  237   1HB   GLU  36          2HB       GLU  36  12.348  -1.611  -7.058
  238   2HB   GLU  36          3HB       GLU  36  11.407  -0.512  -6.035
  239   1HG   GLU  36          2HG       GLU  36  13.348  -0.044  -4.687
  240   2HG   GLU  36          3HG       GLU  36  14.190  -1.455  -5.375
  241    H    CYS  37           HN       CYS  37   9.706  -3.418  -4.055
  242    HA   CYS  37           HA       CYS  37   9.018  -1.361  -2.276
  243   1HB   CYS  37          2HB       CYS  37   7.480  -3.220  -2.989
  244   2HB   CYS  37          3HB       CYS  37   8.340  -4.281  -1.832
  245    H    GLY  38           HN       GLY  38  10.666  -0.679  -0.920
  246   1HA   GLY  38          1HA       GLY  38  11.928  -0.626   1.042
  247   2HA   GLY  38          2HA       GLY  38  10.996  -2.027   1.603
  248    H    LEU  39           HN       LEU  39  13.293  -1.346  -1.052
  249    HA   LEU  39           HA       LEU  39  14.184  -4.047  -1.153
  250   1HB   LEU  39          2HB       LEU  39  14.132  -2.102  -2.929
  251   2HB   LEU  39          3HB       LEU  39  15.758  -1.753  -2.361
  252    HG   LEU  39           HG       LEU  39  15.396  -3.190  -4.436
  253   1HD1  LEU  39          2HD1      LEU  39  17.283  -4.016  -2.254
  254   2HD1  LEU  39          3HD1      LEU  39  17.266  -4.814  -3.846
  255   3HD1  LEU  39          1HD1      LEU  39  17.563  -3.072  -3.706
  256   1HD2  LEU  39          2HD2      LEU  39  13.590  -4.626  -3.455
  257   2HD2  LEU  39          3HD2      LEU  39  14.843  -5.442  -4.404
  258   3HD2  LEU  39          1HD2      LEU  39  14.864  -5.542  -2.644
  259    HA   PRO  40           HA       PRO  40  16.348  -3.580   2.482
  260   1HB   PRO  40          2HB       PRO  40  17.644  -5.928   2.839
  261   2HB   PRO  40          3HB       PRO  40  15.871  -5.820   2.679
  262   1HG   PRO  40          2HG       PRO  40  17.849  -6.503   0.499
  263   2HG   PRO  40          3HG       PRO  40  16.368  -7.391   0.933
  264   1HD   PRO  40          2HD       PRO  40  16.439  -5.563  -1.064
  265   2HD   PRO  40          3HD       PRO  40  14.991  -5.734  -0.061
   
  Start of MODEL          13
 Raw file had  265 H/Q atoms
  Start of MODEL   13
    1   1H    ASP   1          2HN       ASP   1 -10.027   3.088  11.940
    2   2H    ASP   1          3HN       ASP   1 -11.000   2.917  10.607
    3   3H    ASP   1          1HN       ASP   1 -11.221   2.002  11.991
    4    HA   ASP   1           HA       ASP   1  -9.940   0.454  11.391
    5   1HB   ASP   1          2HB       ASP   1  -9.529   2.075   8.870
    6   2HB   ASP   1          3HB       ASP   1  -8.881   0.455   9.122
    7    HA   PRO   2           HA       PRO   2  -6.178   2.228  13.155
    8   1HB   PRO   2          2HB       PRO   2  -4.884  -0.061  13.852
    9   2HB   PRO   2          3HB       PRO   2  -6.385   0.448  14.680
   10   1HG   PRO   2          2HG       PRO   2  -6.099  -1.538  12.409
   11   2HG   PRO   2          3HG       PRO   2  -6.981  -1.777  13.942
   12   1HD   PRO   2          2HD       PRO   2  -8.211  -0.993  11.643
   13   2HD   PRO   2          3HD       PRO   2  -8.760  -0.370  13.235
   14    H    MET   3           HN       MET   3  -3.789   2.096  12.634
   15    HA   MET   3           HA       MET   3  -2.022   1.961  11.258
   16   1HB   MET   3          2HB       MET   3  -2.674  -0.490  11.326
   17   2HB   MET   3          3HB       MET   3  -3.416  -0.272   9.750
   18   1HG   MET   3          2HG       MET   3  -1.349   0.161   8.688
   19   2HG   MET   3          3HG       MET   3  -0.519   0.429  10.233
   20   1HE   MET   3          1HE       MET   3   1.497  -1.225   9.437
   21   2HE   MET   3          2HE       MET   3   1.221  -2.888   8.926
   22   3HE   MET   3          3HE       MET   3   0.653  -1.560   7.892
   23    H    THR   4           HN       THR   4  -1.301   3.206   9.649
   24    HA   THR   4           HA       THR   4  -3.319   4.614   8.150
   25    HB   THR   4           HB       THR   4  -1.000   5.869   7.635
   26    HG1  THR   4          1HG       THR   4   0.191   5.525   9.750
   27   1HG2  THR   4          2HG2      THR   4  -2.999   6.652   8.983
   28   2HG2  THR   4          3HG2      THR   4  -2.299   5.804  10.380
   29   3HG2  THR   4          1HG2      THR   4  -1.438   7.176   9.616
   30    H    CYS   5           HN       CYS   5  -3.272   5.170   6.073
   31    HA   CYS   5           HA       CYS   5  -2.758   3.323   4.065
   32   1HB   CYS   5          2HB       CYS   5  -4.061   5.345   3.722
   33   2HB   CYS   5          3HB       CYS   5  -2.662   6.377   4.034
   34    H    GLU   6           HN       GLU   6  -0.565   5.940   5.333
   35    HA   GLU   6           HA       GLU   6   1.600   5.200   3.753
   36   1HB   GLU   6          2HB       GLU   6   1.681   7.239   5.216
   37   2HB   GLU   6          3HB       GLU   6   1.686   6.213   6.652
   38   1HG   GLU   6          2HG       GLU   6   3.896   7.021   6.305
   39   2HG   GLU   6          3HG       GLU   6   3.946   5.318   5.887
   40    H    GLN   7           HN       GLN   7   0.913   4.014   7.130
   41    HA   GLN   7           HA       GLN   7   3.028   2.250   7.294
   42   1HB   GLN   7          2HB       GLN   7   0.328   2.361   8.597
   43   2HB   GLN   7          3HB       GLN   7   0.999   0.756   8.422
   44   1HG   GLN   7          2HG       GLN   7   1.729   1.387  10.511
   45   2HG   GLN   7          3HG       GLN   7   3.153   1.593   9.502
   46   1HE2  GLN   7          2HE2      GLN   7   2.945   5.253   9.705
   47   2HE2  GLN   7          1HE2      GLN   7   3.434   3.969   8.620
   48    H    ALA   8           HN       ALA   8  -0.096   1.577   5.662
   49    HA   ALA   8           HA       ALA   8   0.476  -1.096   4.923
   50   1HB   ALA   8          2HB       ALA   8  -1.687   0.101   4.460
   51   2HB   ALA   8          3HB       ALA   8  -0.898   0.923   3.108
   52   3HB   ALA   8          1HB       ALA   8  -1.050  -0.844   3.105
   53    H    MET   9           HN       MET   9   1.409   1.928   3.193
   54    HA   MET   9           HA       MET   9   2.746   0.566   1.084
   55   1HB   MET   9          2HB       MET   9   3.408   3.369   1.970
   56   2HB   MET   9          3HB       MET   9   3.609   2.621   0.383
   57   1HG   MET   9          2HG       MET   9   0.974   2.450   0.492
   58   2HG   MET   9          3HG       MET   9   1.170   3.717   1.714
   59   1HE   MET   9          1HE       MET   9  -0.657   4.517  -0.554
   60   2HE   MET   9          2HE       MET   9  -0.015   5.677   0.644
   61   3HE   MET   9          3HE       MET   9   0.056   6.049  -1.095
   62    H    ALA  10           HN       ALA  10   3.896   2.196   3.935
   63    HA   ALA  10           HA       ALA  10   6.651   2.013   3.545
   64   1HB   ALA  10          1HB       ALA  10   4.854   2.211   5.991
   65   2HB   ALA  10          2HB       ALA  10   6.609   2.387   6.065
   66   3HB   ALA  10          3HB       ALA  10   5.627   3.544   5.115
   67    H    SER  11           HN       SER  11   4.338  -0.322   4.735
   68    HA   SER  11           HA       SER  11   6.479  -2.121   5.758
   69   1HB   SER  11          2HB       SER  11   3.477  -2.475   5.828
   70   2HB   SER  11          3HB       SER  11   4.697  -3.414   6.712
   71    HG   SER  11           HG       SER  11   3.995  -0.674   7.010
   72    H    CYS  12           HN       CYS  12   5.026  -1.579   2.694
   73    HA   CYS  12           HA       CYS  12   4.930  -2.871   0.835
   74   1HB   CYS  12          2HB       CYS  12   6.732  -4.882   2.168
   75   2HB   CYS  12          3HB       CYS  12   6.319  -4.759   0.461
   76    H    GLU  13           HN       GLU  13   3.037  -3.109   3.128
   77    HA   GLU  13           HA       GLU  13   2.152  -5.948   3.074
   78   1HB   GLU  13          2HB       GLU  13   1.280  -3.504   4.664
   79   2HB   GLU  13          3HB       GLU  13   0.523  -5.106   4.731
   80   1HG   GLU  13          2HG       GLU  13   3.460  -5.070   5.249
   81   2HG   GLU  13          3HG       GLU  13   2.375  -4.428   6.499
   82    H    HIS  14           HN       HIS  14   1.867  -5.466   0.633
   83    HA   HIS  14           HA       HIS  14  -0.023  -3.634  -0.315
   84   1HB   HIS  14          2HB       HIS  14   0.054  -4.604  -2.295
   85   2HB   HIS  14          3HB       HIS  14   1.553  -5.269  -1.635
   86    HD1  HIS  14           HD1      HIS  14  -2.060  -6.252  -2.589
   87    HD2  HIS  14           HD2      HIS  14   1.606  -7.891  -1.392
   88    HE1  HIS  14           HE1      HIS  14  -2.258  -8.780  -2.892
   89    H    THR  15           HN       THR  15  -0.545  -6.820   1.125
   90    HA   THR  15           HA       THR  15  -3.158  -7.103   0.192
   91    HB   THR  15           HB       THR  15  -3.304  -8.816   2.065
   92    HG1  THR  15          1HG       THR  15  -1.166  -9.228   2.980
   93   1HG2  THR  15          1HG2      THR  15  -2.451  -9.193  -0.293
   94   2HG2  THR  15          2HG2      THR  15  -0.806  -8.880   0.318
   95   3HG2  THR  15          3HG2      THR  15  -1.717 -10.272   0.882
   96    H    MET  16           HN       MET  16  -1.770  -5.257   2.900
   97    HA   MET  16           HA       MET  16  -4.309  -4.648   4.168
   98   1HB   MET  16          2HB       MET  16  -1.418  -4.439   4.731
   99   2HB   MET  16          3HB       MET  16  -2.359  -3.135   5.336
  100   1HG   MET  16          2HG       MET  16  -2.229  -4.710   7.022
  101   2HG   MET  16          3HG       MET  16  -3.896  -4.793   6.460
  102   1HE   MET  16          3HE       MET  16  -4.984  -7.048   6.080
  103   2HE   MET  16          1HE       MET  16  -4.401  -6.898   4.409
  104   3HE   MET  16          2HE       MET  16  -4.188  -8.423   5.272
  105    H    CYS  17           HN       CYS  17  -3.180  -3.427   1.215
  106    HA   CYS  17           HA       CYS  17  -3.039  -0.706   1.689
  107   1HB   CYS  17          2HB       CYS  17  -3.932  -2.445  -0.640
  108   2HB   CYS  17          3HB       CYS  17  -3.893  -0.710  -0.694
  109    H    GLY  18           HN       GLY  18  -5.752  -2.625   2.486
  110   1HA   GLY  18          1HA       GLY  18  -7.917  -0.909   1.728
  111   2HA   GLY  18          2HA       GLY  18  -7.845  -2.051   3.071
  112    OH   TYR  19           OH       TYR  19  -4.633  -3.406   9.252
  113    H    TYR  19           HN       TYR  19  -5.285  -0.461   4.086
  114    HA   TYR  19           HA       TYR  19  -6.746   1.440   5.715
  115   1HB   TYR  19          2HB       TYR  19  -3.771   1.118   5.213
  116   2HB   TYR  19          3HB       TYR  19  -4.518   2.062   6.496
  117    HD1  TYR  19           HD2      TYR  19  -6.583   0.371   7.668
  118    HD2  TYR  19           HD1      TYR  19  -2.603  -0.614   6.338
  119    HE1  TYR  19           HE2      TYR  19  -6.622  -1.672   9.045
  120    HE2  TYR  19           HE1      TYR  19  -2.643  -2.624   7.754
  121    HH   TYR  19           HH       TYR  19  -5.494  -3.588   9.658
  122    H    CYS  20           HN       CYS  20  -5.191   1.551   2.588
  123    HA   CYS  20           HA       CYS  20  -5.436   4.505   2.277
  124   1HB   CYS  20          2HB       CYS  20  -4.696   2.342   0.272
  125   2HB   CYS  20          3HB       CYS  20  -4.829   4.050   0.041
  126    H    GLN  21           HN       GLN  21  -6.808   4.619  -0.157
  127    HA   GLN  21           HA       GLN  21  -8.779   2.640  -0.501
  128   1HB   GLN  21          2HB       GLN  21 -10.832   3.962  -0.146
  129   2HB   GLN  21          3HB       GLN  21 -10.046   3.546   1.337
  130   1HG   GLN  21          2HG       GLN  21  -9.024   6.133   0.457
  131   2HG   GLN  21          3HG       GLN  21 -10.776   6.137   0.303
  132   1HE2  GLN  21          2HE2      GLN  21  -9.387   5.397   4.135
  133   2HE2  GLN  21          1HE2      GLN  21  -8.849   4.380   2.805
  134    H    GLY  22           HN       GLY  22 -10.436   3.549  -2.224
  135   1HA   GLY  22          1HA       GLY  22 -10.599   4.262  -4.399
  136   2HA   GLY  22          2HA       GLY  22 -10.086   5.800  -3.716
  137    HA   PRO  23           HA       PRO  23  -6.807   4.918  -6.726
  138   1HB   PRO  23          2HB       PRO  23  -5.481   7.294  -6.672
  139   2HB   PRO  23          3HB       PRO  23  -7.068   7.111  -7.465
  140   1HG   PRO  23          2HG       PRO  23  -6.486   8.176  -4.688
  141   2HG   PRO  23          3HG       PRO  23  -7.536   8.895  -5.935
  142   1HD   PRO  23          2HD       PRO  23  -8.503   7.335  -3.901
  143   2HD   PRO  23          3HD       PRO  23  -9.246   7.296  -5.523
  144    H    LEU  24           HN       LEU  24  -6.329   6.244  -3.447
  145    HA   LEU  24           HA       LEU  24  -3.571   5.651  -3.287
  146   1HB   LEU  24          2HB       LEU  24  -5.716   6.236  -1.239
  147   2HB   LEU  24          3HB       LEU  24  -4.085   5.729  -0.776
  148    HG   LEU  24           HG       LEU  24  -4.571   8.162  -2.448
  149   1HD1  LEU  24          1HD1      LEU  24  -5.428   8.220  -0.114
  150   2HD1  LEU  24          2HD1      LEU  24  -3.841   7.696   0.480
  151   3HD1  LEU  24          3HD1      LEU  24  -4.001   9.276  -0.322
  152   1HD2  LEU  24          2HD2      LEU  24  -2.160   6.772  -1.214
  153   2HD2  LEU  24          3HD2      LEU  24  -2.346   7.337  -2.896
  154   3HD2  LEU  24          1HD2      LEU  24  -2.147   8.507  -1.583
  155    OH   TYR  25           OH       TYR  25  -7.162  -4.549  -1.988
  156    H    TYR  25           HN       TYR  25  -6.399   3.578  -2.901
  157    HA   TYR  25           HA       TYR  25  -5.025   1.265  -1.652
  158   1HB   TYR  25          2HB       TYR  25  -7.528   1.511  -2.041
  159   2HB   TYR  25          3HB       TYR  25  -7.221   1.276  -3.756
  160    HD1  TYR  25           HD2      TYR  25  -6.340  -0.931  -4.606
  161    HD2  TYR  25           HD1      TYR  25  -7.421  -0.285  -0.488
  162    HE1  TYR  25           HE2      TYR  25  -6.453  -3.379  -4.254
  163    HE2  TYR  25           HE1      TYR  25  -7.520  -2.728  -0.134
  164    HH   TYR  25           HH       TYR  25  -7.914  -4.684  -1.392
  165    H    MET  26           HN       MET  26  -5.644   2.154  -5.065
  166    HA   MET  26           HA       MET  26  -3.984   0.051  -5.989
  167   1HB   MET  26          2HB       MET  26  -5.308   2.473  -7.151
  168   2HB   MET  26          3HB       MET  26  -4.195   1.529  -8.148
  169   1HG   MET  26          2HG       MET  26  -6.231  -0.065  -6.643
  170   2HG   MET  26          3HG       MET  26  -6.861   0.973  -7.883
  171   1HE   MET  26          1HE       MET  26  -4.505  -2.059  -7.102
  172   2HE   MET  26          2HE       MET  26  -3.929  -2.496  -8.719
  173   3HE   MET  26          3HE       MET  26  -3.343  -1.004  -7.966
  174    H    THR  27           HN       THR  27  -3.234   3.413  -5.129
  175    HA   THR  27           HA       THR  27  -0.624   3.284  -6.359
  176    HB   THR  27           HB       THR  27  -2.044   5.241  -4.608
  177    HG1  THR  27          1HG       THR  27  -1.950   6.366  -6.467
  178   1HG2  THR  27          1HG2      THR  27   0.916   5.328  -5.267
  179   2HG2  THR  27          2HG2      THR  27  -0.046   6.718  -4.697
  180   3HG2  THR  27          3HG2      THR  27   0.180   5.316  -3.648
  181    H    CYS  28           HN       CYS  28  -1.760   2.989  -2.918
  182    HA   CYS  28           HA       CYS  28   0.660   2.110  -1.815
  183   1HB   CYS  28          2HB       CYS  28  -1.118   2.394  -0.392
  184   2HB   CYS  28          3HB       CYS  28  -2.238   1.367  -1.285
  185    H    ILE  29           HN       ILE  29  -1.721   0.279  -3.821
  186    HA   ILE  29           HA       ILE  29  -0.396  -2.147  -3.481
  187    HB   ILE  29           HB       ILE  29  -2.196  -1.169  -5.700
  188   1HG1  ILE  29          2HG1      ILE  29  -3.238  -1.735  -3.463
  189   2HG1  ILE  29          3HG1      ILE  29  -3.825  -2.692  -4.821
  190   1HG2  ILE  29          2HG2      ILE  29  -0.735  -3.791  -5.488
  191   2HG2  ILE  29          3HG2      ILE  29  -2.223  -3.596  -6.442
  192   3HG2  ILE  29          1HG2      ILE  29  -0.775  -2.670  -6.852
  193   1HD1  ILE  29          1HD1      ILE  29  -2.320  -4.554  -4.115
  194   2HD1  ILE  29          2HD1      ILE  29  -1.786  -3.559  -2.745
  195   3HD1  ILE  29          3HD1      ILE  29  -3.469  -4.067  -2.851
  196    H    GLY  30           HN       GLY  30  -0.178   0.159  -6.191
  197   1HA   GLY  30          1HA       GLY  30   1.762  -1.005  -7.758
  198   2HA   GLY  30          2HA       GLY  30   1.621   0.745  -7.515
  199    H    ILE  31           HN       ILE  31   2.325   1.132  -4.932
  200    HA   ILE  31           HA       ILE  31   5.199   0.884  -4.993
  201    HB   ILE  31           HB       ILE  31   3.131   1.852  -2.986
  202   1HG1  ILE  31          2HG1      ILE  31   5.618   3.229  -4.105
  203   2HG1  ILE  31          3HG1      ILE  31   4.125   3.119  -5.047
  204   1HG2  ILE  31          1HG2      ILE  31   6.103   1.441  -2.444
  205   2HG2  ILE  31          2HG2      ILE  31   5.086   2.545  -1.506
  206   3HG2  ILE  31          3HG2      ILE  31   4.743   0.823  -1.481
  207   1HD1  ILE  31          3HD1      ILE  31   2.863   4.283  -3.304
  208   2HD1  ILE  31          1HD1      ILE  31   4.341   4.472  -2.332
  209   3HD1  ILE  31          2HD1      ILE  31   4.222   5.250  -3.916
  210    H    THR  32           HN       THR  32   2.865  -0.659  -2.731
  211    HA   THR  32           HA       THR  32   4.810  -2.159  -1.412
  212    HB   THR  32           HB       THR  32   2.902  -3.593  -0.636
  213    HG1  THR  32          1HG       THR  32   1.529  -1.894  -2.466
  214   1HG2  THR  32          3HG2      THR  32   3.531  -1.392   0.409
  215   2HG2  THR  32          1HG2      THR  32   2.337  -0.620  -0.620
  216   3HG2  THR  32          2HG2      THR  32   1.818  -1.819   0.590
  217    H    THR  33           HN       THR  33   2.999  -3.007  -4.283
  218    HA   THR  33           HA       THR  33   3.957  -5.777  -4.277
  219    HB   THR  33           HB       THR  33   2.447  -6.149  -6.076
  220    HG1  THR  33          1HG       THR  33   2.202  -3.321  -6.154
  221   1HG2  THR  33          2HG2      THR  33   1.630  -6.055  -3.853
  222   2HG2  THR  33          3HG2      THR  33   1.085  -4.382  -4.140
  223   3HG2  THR  33          1HG2      THR  33   0.414  -5.725  -5.096
  224    H    ASP  34           HN       ASP  34   5.358  -2.774  -5.061
  225    HA   ASP  34           HA       ASP  34   6.535  -3.386  -7.563
  226   1HB   ASP  34          2HB       ASP  34   6.417  -1.101  -6.487
  227   2HB   ASP  34          3HB       ASP  34   7.696  -1.620  -5.372
  228    HA   PRO  35           HA       PRO  35   9.420  -6.551  -6.033
  229   1HB   PRO  35          2HB       PRO  35  11.371  -6.383  -8.011
  230   2HB   PRO  35          3HB       PRO  35   9.812  -7.246  -8.154
  231   1HG   PRO  35          2HG       PRO  35  10.468  -4.470  -9.117
  232   2HG   PRO  35          3HG       PRO  35   9.641  -5.781 -10.009
  233   1HD   PRO  35          2HD       PRO  35   8.250  -3.823  -8.836
  234   2HD   PRO  35          3HD       PRO  35   7.631  -5.483  -8.690
  235    H    GLU  36           HN       GLU  36  10.284  -3.202  -6.538
  236    HA   GLU  36           HA       GLU  36  12.801  -3.262  -5.187
  237   1HB   GLU  36          2HB       GLU  36  11.850  -1.599  -6.986
  238   2HB   GLU  36          3HB       GLU  36  10.831  -0.968  -5.686
  239   1HG   GLU  36          2HG       GLU  36  12.967  -0.395  -4.448
  240   2HG   GLU  36          3HG       GLU  36  13.822  -0.940  -5.922
  241    H    CYS  37           HN       CYS  37   9.655  -3.241  -4.196
  242    HA   CYS  37           HA       CYS  37   9.785  -1.481  -1.962
  243   1HB   CYS  37          2HB       CYS  37   7.665  -2.225  -2.939
  244   2HB   CYS  37          3HB       CYS  37   7.806  -3.786  -2.123
  245    H    GLY  38           HN       GLY  38  11.370  -1.760  -0.572
  246   1HA   GLY  38          1HA       GLY  38  12.169  -2.487   1.464
  247   2HA   GLY  38          2HA       GLY  38  11.099  -3.891   1.431
  248    H    LEU  39           HN       LEU  39  13.251  -2.968  -1.251
  249    HA   LEU  39           HA       LEU  39  14.593  -5.467  -1.297
  250   1HB   LEU  39          2HB       LEU  39  14.302  -3.624  -3.115
  251   2HB   LEU  39          3HB       LEU  39  15.689  -2.835  -2.373
  252    HG   LEU  39           HG       LEU  39  17.001  -4.949  -2.918
  253   1HD1  LEU  39          1HD1      LEU  39  14.416  -5.660  -4.412
  254   2HD1  LEU  39          2HD1      LEU  39  15.982  -6.452  -4.670
  255   3HD1  LEU  39          3HD1      LEU  39  15.173  -6.610  -3.113
  256   1HD2  LEU  39          3HD2      LEU  39  17.052  -2.955  -4.355
  257   2HD2  LEU  39          1HD2      LEU  39  17.141  -4.423  -5.333
  258   3HD2  LEU  39          2HD2      LEU  39  15.613  -3.519  -5.231
  259    HA   PRO  40           HA       PRO  40  16.631  -4.830   2.435
  260   1HB   PRO  40          2HB       PRO  40  18.642  -6.701   2.478
  261   2HB   PRO  40          3HB       PRO  40  16.903  -7.090   2.503
  262   1HG   PRO  40          2HG       PRO  40  18.714  -6.932   0.069
  263   2HG   PRO  40          3HG       PRO  40  17.684  -8.323   0.528
  264   1HD   PRO  40          2HD       PRO  40  16.814  -6.530  -1.256
  265   2HD   PRO  40          3HD       PRO  40  15.684  -7.066   0.016
   
  Start of MODEL          14
 Raw file had  265 H/Q atoms
  Start of MODEL   14
    1   1H    ASP   1          1HN       ASP   1  -7.324   3.419  14.158
    2   2H    ASP   1          2HN       ASP   1  -6.611   4.155  12.881
    3   3H    ASP   1          3HN       ASP   1  -8.249   4.331  13.116
    4    HA   ASP   1           HA       ASP   1  -8.483   1.926  12.807
    5   1HB   ASP   1          2HB       ASP   1  -7.176   3.549  10.585
    6   2HB   ASP   1          3HB       ASP   1  -7.553   1.856  10.329
    7    HA   PRO   2           HA       PRO   2  -4.729  -0.401  13.547
    8   1HB   PRO   2          2HB       PRO   2  -5.122  -2.181  11.239
    9   2HB   PRO   2          3HB       PRO   2  -5.147  -2.597  12.955
   10   1HG   PRO   2          2HG       PRO   2  -7.446  -2.594  11.394
   11   2HG   PRO   2          3HG       PRO   2  -7.455  -2.210  13.132
   12   1HD   PRO   2          2HD       PRO   2  -7.448  -0.315  10.815
   13   2HD   PRO   2          3HD       PRO   2  -8.424  -0.256  12.316
   14    H    MET   3           HN       MET   3  -2.941   0.805  12.933
   15    HA   MET   3           HA       MET   3  -1.406   1.866  11.690
   16   1HB   MET   3          2HB       MET   3  -0.283   0.596  10.261
   17   2HB   MET   3          3HB       MET   3  -1.365  -0.624  10.855
   18   1HG   MET   3          2HG       MET   3  -2.827  -0.003   8.740
   19   2HG   MET   3          3HG       MET   3  -1.342   0.665   8.145
   20   1HE   MET   3          3HE       MET   3   0.987  -0.882   8.011
   21   2HE   MET   3          1HE       MET   3   0.695  -1.653   9.590
   22   3HE   MET   3          2HE       MET   3   0.907  -2.654   8.137
   23    H    THR   4           HN       THR   4  -1.200   2.698   9.062
   24    HA   THR   4           HA       THR   4  -3.691   4.232   8.467
   25    HB   THR   4           HB       THR   4  -2.529   6.199   8.120
   26    HG1  THR   4          1HG       THR   4  -0.352   6.385   8.070
   27   1HG2  THR   4          3HG2      THR   4  -2.850   5.718  10.519
   28   2HG2  THR   4          1HG2      THR   4  -1.227   5.011  10.615
   29   3HG2  THR   4          2HG2      THR   4  -1.409   6.714  10.211
   30    H    CYS   5           HN       CYS   5  -3.464   5.169   6.222
   31    HA   CYS   5           HA       CYS   5  -3.021   3.102   4.269
   32   1HB   CYS   5          2HB       CYS   5  -4.428   4.901   3.624
   33   2HB   CYS   5          3HB       CYS   5  -3.259   6.139   4.105
   34    H    GLU   6           HN       GLU   6  -1.102   5.784   5.566
   35    HA   GLU   6           HA       GLU   6   1.185   5.451   3.880
   36   1HB   GLU   6          2HB       GLU   6   0.686   7.329   5.574
   37   2HB   GLU   6          3HB       GLU   6   1.407   6.301   6.788
   38   1HG   GLU   6          2HG       GLU   6   3.156   7.644   6.119
   39   2HG   GLU   6          3HG       GLU   6   3.428   6.178   5.170
   40    H    GLN   7           HN       GLN   7   0.531   4.240   7.225
   41    HA   GLN   7           HA       GLN   7   2.921   2.791   7.397
   42   1HB   GLN   7          2HB       GLN   7   0.349   1.850   8.614
   43   2HB   GLN   7          3HB       GLN   7   1.967   1.399   9.117
   44   1HG   GLN   7          2HG       GLN   7   0.590   4.064   9.493
   45   2HG   GLN   7          3HG       GLN   7   1.190   2.965  10.707
   46   1HE2  GLN   7          2HE2      GLN   7   3.707   5.638   8.846
   47   2HE2  GLN   7          1HE2      GLN   7   1.996   5.544   8.487
   48    H    ALA   8           HN       ALA   8  -0.220   1.623   6.036
   49    HA   ALA   8           HA       ALA   8   0.548  -1.042   5.541
   50   1HB   ALA   8          1HB       ALA   8  -1.729  -0.135   5.179
   51   2HB   ALA   8          2HB       ALA   8  -1.165   0.748   3.753
   52   3HB   ALA   8          3HB       ALA   8  -1.130  -1.026   3.766
   53    H    MET   9           HN       MET   9   0.975   1.816   3.462
   54    HA   MET   9           HA       MET   9   2.319   0.523   1.334
   55   1HB   MET   9          2HB       MET   9   1.084   2.636   1.361
   56   2HB   MET   9          3HB       MET   9   2.371   3.354   2.359
   57   1HG   MET   9          2HG       MET   9   3.952   3.095   0.475
   58   2HG   MET   9          3HG       MET   9   2.605   2.588  -0.550
   59   1HE   MET   9          3HE       MET   9   0.254   4.582   0.669
   60   2HE   MET   9          1HE       MET   9   0.430   5.998  -0.371
   61   3HE   MET   9          2HE       MET   9   0.477   4.388  -1.091
   62    H    ALA  10           HN       ALA  10   3.485   2.418   4.005
   63    HA   ALA  10           HA       ALA  10   6.261   2.461   3.445
   64   1HB   ALA  10          1HB       ALA  10   4.975   4.058   4.885
   65   2HB   ALA  10          2HB       ALA  10   4.674   2.760   6.041
   66   3HB   ALA  10          3HB       ALA  10   6.327   3.338   5.780
   67    H    SER  11           HN       SER  11   4.092   0.190   4.994
   68    HA   SER  11           HA       SER  11   6.250  -1.572   5.990
   69   1HB   SER  11          2HB       SER  11   3.242  -1.999   5.946
   70   2HB   SER  11          3HB       SER  11   4.441  -3.018   6.754
   71    HG   SER  11           HG       SER  11   3.989  -0.264   7.274
   72    H    CYS  12           HN       CYS  12   4.683  -1.005   2.881
   73    HA   CYS  12           HA       CYS  12   5.096  -2.134   0.996
   74   1HB   CYS  12          2HB       CYS  12   7.379  -2.797   1.833
   75   2HB   CYS  12          3HB       CYS  12   6.641  -4.353   2.295
   76    H    GLU  13           HN       GLU  13   2.914  -2.673   3.115
   77    HA   GLU  13           HA       GLU  13   2.507  -5.569   2.929
   78   1HB   GLU  13          2HB       GLU  13   2.540  -4.224   5.111
   79   2HB   GLU  13          3HB       GLU  13   0.976  -3.570   4.614
   80   1HG   GLU  13          2HG       GLU  13   0.460  -5.357   6.039
   81   2HG   GLU  13          3HG       GLU  13   0.237  -6.083   4.436
   82    H    HIS  14           HN       HIS  14   1.898  -5.529   0.661
   83    HA   HIS  14           HA       HIS  14  -0.247  -3.958  -0.378
   84   1HB   HIS  14          2HB       HIS  14   0.046  -4.958  -2.252
   85   2HB   HIS  14          3HB       HIS  14   1.508  -5.667  -1.575
   86    HD1  HIS  14           HD1      HIS  14  -2.249  -6.444  -2.087
   87    HD2  HIS  14           HD2      HIS  14   1.453  -8.356  -1.596
   88    HE1  HIS  14           HE1      HIS  14  -2.694  -8.925  -2.301
   89    H    THR  15           HN       THR  15  -0.283  -6.958   1.520
   90    HA   THR  15           HA       THR  15  -2.972  -7.528   0.747
   91    HB   THR  15           HB       THR  15  -2.975  -9.003   2.746
   92    HG1  THR  15          1HG       THR  15  -0.333  -7.974   3.039
   93   1HG2  THR  15          1HG2      THR  15  -2.151  -9.706   0.518
   94   2HG2  THR  15          2HG2      THR  15  -0.526  -9.117   0.900
   95   3HG2  THR  15          3HG2      THR  15  -1.200 -10.485   1.802
   96    H    MET  16           HN       MET  16  -1.590  -5.365   3.257
   97    HA   MET  16           HA       MET  16  -4.234  -4.751   4.353
   98   1HB   MET  16          2HB       MET  16  -1.369  -4.591   5.125
   99   2HB   MET  16          3HB       MET  16  -2.406  -3.359   5.734
  100   1HG   MET  16          2HG       MET  16  -2.288  -5.130   7.299
  101   2HG   MET  16          3HG       MET  16  -3.934  -5.066   6.669
  102   1HE   MET  16          1HE       MET  16  -4.829  -6.815   4.773
  103   2HE   MET  16          2HE       MET  16  -4.434  -8.517   5.050
  104   3HE   MET  16          3HE       MET  16  -5.140  -7.539   6.343
  105    H    CYS  17           HN       CYS  17  -2.716  -3.811   1.624
  106    HA   CYS  17           HA       CYS  17  -2.679  -0.987   1.773
  107   1HB   CYS  17          2HB       CYS  17  -2.810  -3.040  -0.332
  108   2HB   CYS  17          3HB       CYS  17  -3.719  -1.631  -0.739
  109    H    GLY  18           HN       GLY  18  -5.341  -3.066   2.425
  110   1HA   GLY  18          1HA       GLY  18  -7.500  -1.716   1.206
  111   2HA   GLY  18          2HA       GLY  18  -7.541  -2.695   2.676
  112    OH   TYR  19           OH       TYR  19  -5.874  -3.486   9.275
  113    H    TYR  19           HN       TYR  19  -5.443  -0.808   3.982
  114    HA   TYR  19           HA       TYR  19  -7.344   1.013   5.139
  115   1HB   TYR  19          2HB       TYR  19  -4.310   0.938   5.289
  116   2HB   TYR  19          3HB       TYR  19  -5.374   1.889   6.321
  117    HD1  TYR  19           HD2      TYR  19  -7.430   0.333   7.378
  118    HD2  TYR  19           HD1      TYR  19  -3.459  -0.986   6.351
  119    HE1  TYR  19           HE2      TYR  19  -7.707  -1.694   8.799
  120    HE2  TYR  19           HE1      TYR  19  -3.732  -2.942   7.849
  121    HH   TYR  19           HH       TYR  19  -5.002  -3.847   9.501
  122    H    CYS  20           HN       CYS  20  -5.182   1.172   2.391
  123    HA   CYS  20           HA       CYS  20  -5.617   4.081   1.909
  124   1HB   CYS  20          2HB       CYS  20  -4.291   1.979   0.180
  125   2HB   CYS  20          3HB       CYS  20  -4.409   3.693  -0.125
  126    H    GLN  21           HN       GLN  21  -6.985   4.691   0.110
  127    HA   GLN  21           HA       GLN  21  -8.739   2.731  -1.124
  128   1HB   GLN  21          2HB       GLN  21 -10.750   3.552   0.118
  129   2HB   GLN  21          3HB       GLN  21  -9.629   2.588   1.084
  130   1HG   GLN  21          2HG       GLN  21  -8.638   4.851   1.900
  131   2HG   GLN  21          3HG       GLN  21 -10.067   5.594   1.178
  132   1HE2  GLN  21          2HE2      GLN  21 -10.648   4.966   4.832
  133   2HE2  GLN  21          1HE2      GLN  21  -9.527   5.885   3.834
  134    H    GLY  22           HN       GLY  22 -10.182   3.786  -2.588
  135   1HA   GLY  22          1HA       GLY  22 -10.532   5.412  -4.248
  136   2HA   GLY  22          2HA       GLY  22  -9.749   6.623  -3.217
  137    HA   PRO  23           HA       PRO  23  -6.869   5.280  -6.677
  138   1HB   PRO  23          2HB       PRO  23  -5.303   7.574  -6.707
  139   2HB   PRO  23          3HB       PRO  23  -6.808   7.337  -7.640
  140   1HG   PRO  23          2HG       PRO  23  -6.470   8.726  -4.981
  141   2HG   PRO  23          3HG       PRO  23  -7.399   9.273  -6.407
  142   1HD   PRO  23          2HD       PRO  23  -8.615   8.100  -4.312
  143   2HD   PRO  23          3HD       PRO  23  -9.139   7.685  -5.974
  144    H    LEU  24           HN       LEU  24  -6.148   6.618  -3.469
  145    HA   LEU  24           HA       LEU  24  -3.474   5.938  -3.318
  146   1HB   LEU  24          2HB       LEU  24  -5.688   6.264  -1.307
  147   2HB   LEU  24          3HB       LEU  24  -4.098   5.704  -0.771
  148    HG   LEU  24           HG       LEU  24  -4.442   8.214  -2.398
  149   1HD1  LEU  24          3HD1      LEU  24  -5.634   8.353  -0.269
  150   2HD1  LEU  24          1HD1      LEU  24  -4.176   7.770   0.587
  151   3HD1  LEU  24          2HD1      LEU  24  -4.155   9.352  -0.248
  152   1HD2  LEU  24          3HD2      LEU  24  -2.155   7.029  -0.743
  153   2HD2  LEU  24          1HD2      LEU  24  -2.127   7.353  -2.487
  154   3HD2  LEU  24          2HD2      LEU  24  -2.181   8.697  -1.351
  155    OH   TYR  25           OH       TYR  25  -5.765  -4.286  -3.982
  156    H    TYR  25           HN       TYR  25  -6.273   3.774  -3.152
  157    HA   TYR  25           HA       TYR  25  -4.839   1.546  -1.931
  158   1HB   TYR  25          2HB       TYR  25  -7.272   1.443  -2.098
  159   2HB   TYR  25          3HB       TYR  25  -7.210   1.672  -3.832
  160    HD1  TYR  25           HD2      TYR  25  -5.975  -0.693  -1.176
  161    HD2  TYR  25           HD1      TYR  25  -7.090  -0.182  -5.288
  162    HE1  TYR  25           HE2      TYR  25  -5.432  -3.067  -1.639
  163    HE2  TYR  25           HE1      TYR  25  -6.801  -2.596  -5.683
  164    HH   TYR  25           HH       TYR  25  -5.278  -4.694  -3.254
  165    H    MET  26           HN       MET  26  -5.474   2.514  -5.332
  166    HA   MET  26           HA       MET  26  -3.810   0.424  -6.357
  167   1HB   MET  26          2HB       MET  26  -5.471   2.490  -7.455
  168   2HB   MET  26          3HB       MET  26  -3.890   2.555  -8.228
  169   1HG   MET  26          2HG       MET  26  -5.553   1.185  -9.375
  170   2HG   MET  26          3HG       MET  26  -4.060   0.325  -9.048
  171   1HE   MET  26          1HE       MET  26  -4.052  -1.967  -8.344
  172   2HE   MET  26          2HE       MET  26  -4.304  -1.612  -6.623
  173   3HE   MET  26          3HE       MET  26  -5.305  -2.823  -7.424
  174    H    THR  27           HN       THR  27  -3.082   3.749  -5.295
  175    HA   THR  27           HA       THR  27  -0.462   3.646  -6.396
  176    HB   THR  27           HB       THR  27  -1.753   5.419  -4.357
  177    HG1  THR  27          1HG       THR  27  -0.594   5.730  -6.959
  178   1HG2  THR  27          2HG2      THR  27   1.168   5.573  -5.155
  179   2HG2  THR  27          3HG2      THR  27   0.257   6.848  -4.328
  180   3HG2  THR  27          1HG2      THR  27   0.521   5.315  -3.518
  181    H    CYS  28           HN       CYS  28  -1.557   3.115  -3.045
  182    HA   CYS  28           HA       CYS  28   0.981   2.328  -2.095
  183   1HB   CYS  28          2HB       CYS  28  -0.156   1.563  -0.183
  184   2HB   CYS  28          3HB       CYS  28  -1.184   2.859  -0.835
  185    H    ILE  29           HN       ILE  29  -1.530   0.512  -3.984
  186    HA   ILE  29           HA       ILE  29  -0.314  -1.946  -3.495
  187    HB   ILE  29           HB       ILE  29  -2.170  -0.950  -5.630
  188   1HG1  ILE  29          2HG1      ILE  29  -3.102  -1.544  -3.381
  189   2HG1  ILE  29          3HG1      ILE  29  -3.680  -2.592  -4.677
  190   1HG2  ILE  29          3HG2      ILE  29  -0.745  -3.620  -5.581
  191   2HG2  ILE  29          1HG2      ILE  29  -2.263  -3.310  -6.462
  192   3HG2  ILE  29          2HG2      ILE  29  -0.792  -2.440  -6.896
  193   1HD1  ILE  29          1HD1      ILE  29  -2.013  -4.315  -3.945
  194   2HD1  ILE  29          2HD1      ILE  29  -1.586  -3.269  -2.579
  195   3HD1  ILE  29          3HD1      ILE  29  -3.221  -3.886  -2.718
  196    H    GLY  30           HN       GLY  30   0.033   0.311  -6.203
  197   1HA   GLY  30          1HA       GLY  30   1.923  -0.924  -7.767
  198   2HA   GLY  30          2HA       GLY  30   1.945   0.820  -7.414
  199    H    ILE  31           HN       ILE  31   2.574   1.000  -4.837
  200    HA   ILE  31           HA       ILE  31   5.407   0.514  -4.774
  201    HB   ILE  31           HB       ILE  31   3.283   1.538  -2.849
  202   1HG1  ILE  31          2HG1      ILE  31   5.903   2.846  -3.642
  203   2HG1  ILE  31          3HG1      ILE  31   4.534   2.824  -4.771
  204   1HG2  ILE  31          2HG2      ILE  31   6.143   0.872  -2.088
  205   2HG2  ILE  31          3HG2      ILE  31   5.173   2.051  -1.202
  206   3HG2  ILE  31          1HG2      ILE  31   4.662   0.372  -1.253
  207   1HD1  ILE  31          1HD1      ILE  31   3.082   3.929  -3.122
  208   2HD1  ILE  31          2HD1      ILE  31   4.447   4.015  -1.978
  209   3HD1  ILE  31          3HD1      ILE  31   4.524   4.883  -3.505
  210    H    THR  32           HN       THR  32   2.833  -0.933  -2.782
  211    HA   THR  32           HA       THR  32   4.644  -2.531  -1.343
  212    HB   THR  32           HB       THR  32   2.596  -3.664  -0.523
  213    HG1  THR  32          1HG       THR  32   1.298  -1.880  -2.300
  214   1HG2  THR  32          2HG2      THR  32   2.558  -0.611  -0.644
  215   2HG2  THR  32          3HG2      THR  32   1.466  -1.581   0.378
  216   3HG2  THR  32          1HG2      THR  32   3.190  -1.595   0.640
  217    H    THR  33           HN       THR  33   2.791  -3.235  -4.253
  218    HA   THR  33           HA       THR  33   3.664  -6.043  -4.297
  219    HB   THR  33           HB       THR  33   2.295  -6.353  -6.182
  220    HG1  THR  33          1HG       THR  33   2.021  -3.522  -6.107
  221   1HG2  THR  33          1HG2      THR  33   1.275  -6.355  -3.977
  222   2HG2  THR  33          2HG2      THR  33   0.804  -4.647  -4.213
  223   3HG2  THR  33          3HG2      THR  33   0.136  -5.920  -5.258
  224    H    ASP  34           HN       ASP  34   5.287  -3.159  -4.882
  225    HA   ASP  34           HA       ASP  34   6.352  -3.691  -7.468
  226   1HB   ASP  34          2HB       ASP  34   6.479  -1.507  -6.085
  227   2HB   ASP  34          3HB       ASP  34   7.834  -2.278  -5.239
  228    HA   PRO  35           HA       PRO  35   9.082  -7.101  -6.174
  229   1HB   PRO  35          2HB       PRO  35  11.034  -6.824  -8.148
  230   2HB   PRO  35          3HB       PRO  35   9.518  -7.753  -8.302
  231   1HG   PRO  35          2HG       PRO  35  10.105  -4.952  -9.253
  232   2HG   PRO  35          3HG       PRO  35   9.200  -6.232 -10.107
  233   1HD   PRO  35          2HD       PRO  35   7.972  -4.201  -8.824
  234   2HD   PRO  35          3HD       PRO  35   7.237  -5.816  -8.746
  235    H    GLU  36           HN       GLU  36  10.282  -3.805  -7.025
  236    HA   GLU  36           HA       GLU  36  12.636  -4.158  -5.386
  237   1HB   GLU  36          2HB       GLU  36  12.444  -3.086  -7.779
  238   2HB   GLU  36          3HB       GLU  36  11.847  -1.662  -6.915
  239   1HG   GLU  36          2HG       GLU  36  13.935  -1.846  -5.466
  240   2HG   GLU  36          3HG       GLU  36  14.443  -3.168  -6.528
  241    H    CYS  37           HN       CYS  37  10.093  -4.109  -4.080
  242    HA   CYS  37           HA       CYS  37   9.344  -1.584  -3.036
  243   1HB   CYS  37          2HB       CYS  37   7.933  -3.658  -2.912
  244   2HB   CYS  37          3HB       CYS  37   8.951  -4.207  -1.563
  245    H    GLY  38           HN       GLY  38  11.373  -0.539  -2.469
  246   1HA   GLY  38          1HA       GLY  38  12.992   0.188  -0.962
  247   2HA   GLY  38          2HA       GLY  38  12.055  -0.586   0.332
  248    H    LEU  39           HN       LEU  39  13.606  -1.875  -2.607
  249    HA   LEU  39           HA       LEU  39  14.150  -4.331  -1.451
  250   1HB   LEU  39          2HB       LEU  39  13.990  -3.506  -3.872
  251   2HB   LEU  39          3HB       LEU  39  15.709  -3.175  -3.812
  252    HG   LEU  39           HG       LEU  39  14.938  -5.281  -4.893
  253   1HD1  LEU  39          3HD1      LEU  39  17.021  -5.491  -2.726
  254   2HD1  LEU  39          1HD1      LEU  39  16.685  -6.781  -3.896
  255   3HD1  LEU  39          2HD1      LEU  39  17.206  -5.178  -4.445
  256   1HD2  LEU  39          1HD2      LEU  39  13.126  -5.834  -3.319
  257   2HD2  LEU  39          2HD2      LEU  39  14.176  -7.171  -3.811
  258   3HD2  LEU  39          3HD2      LEU  39  14.336  -6.475  -2.195
  259    HA   PRO  40           HA       PRO  40  17.397  -2.939   1.090
  260   1HB   PRO  40          2HB       PRO  40  18.328  -5.185   2.303
  261   2HB   PRO  40          3HB       PRO  40  16.650  -4.612   2.505
  262   1HG   PRO  40          2HG       PRO  40  17.652  -6.750   0.618
  263   2HG   PRO  40          3HG       PRO  40  16.256  -6.853   1.706
  264   1HD   PRO  40          2HD       PRO  40  16.106  -6.219  -0.939
  265   2HD   PRO  40          3HD       PRO  40  14.929  -5.538   0.182
   
  Start of MODEL          15
 Raw file had  265 H/Q atoms
  Start of MODEL   15
    1   1H    ASP   1          3HN       ASP   1  -3.812  -4.809  12.458
    2   2H    ASP   1          1HN       ASP   1  -2.194  -4.879  12.545
    3   3H    ASP   1          2HN       ASP   1  -3.116  -5.828  13.573
    4    HA   ASP   1           HA       ASP   1  -3.827  -3.997  14.811
    5   1HB   ASP   1          2HB       ASP   1  -0.865  -3.862  14.071
    6   2HB   ASP   1          3HB       ASP   1  -1.563  -2.586  15.050
    7    HA   PRO   2           HA       PRO   2  -5.048  -0.526  12.423
    8   1HB   PRO   2          2HB       PRO   2  -4.852   1.634  14.074
    9   2HB   PRO   2          3HB       PRO   2  -6.120   0.386  14.272
   10   1HG   PRO   2          2HG       PRO   2  -3.467   0.552  15.742
   11   2HG   PRO   2          3HG       PRO   2  -5.092   0.312  16.441
   12   1HD   PRO   2          2HD       PRO   2  -3.470  -1.790  15.983
   13   2HD   PRO   2          3HD       PRO   2  -5.206  -1.923  15.611
   14    H    MET   3           HN       MET   3  -4.103   1.251  11.221
   15    HA   MET   3           HA       MET   3  -1.344   2.044  11.667
   16   1HB   MET   3          2HB       MET   3  -0.368   0.749   9.944
   17   2HB   MET   3          3HB       MET   3  -1.429  -0.411  10.691
   18   1HG   MET   3          2HG       MET   3  -3.180   0.060   9.050
   19   2HG   MET   3          3HG       MET   3  -2.156   1.202   8.218
   20   1HE   MET   3          2HE       MET   3  -2.552  -2.558   9.109
   21   2HE   MET   3          3HE       MET   3  -1.259  -3.244   8.090
   22   3HE   MET   3          1HE       MET   3  -0.834  -2.305   9.538
   23    H    THR   4           HN       THR   4  -0.744   3.459   9.635
   24    HA   THR   4           HA       THR   4  -3.137   4.892   8.652
   25    HB   THR   4           HB       THR   4  -1.328   6.385   7.813
   26    HG1  THR   4          1HG       THR   4   0.760   6.065   8.717
   27   1HG2  THR   4          3HG2      THR   4  -2.463   6.783  10.018
   28   2HG2  THR   4          1HG2      THR   4  -1.240   5.786  10.825
   29   3HG2  THR   4          2HG2      THR   4  -0.768   7.313  10.073
   30    H    CYS   5           HN       CYS   5  -3.188   5.452   6.316
   31    HA   CYS   5           HA       CYS   5  -2.879   3.194   4.547
   32   1HB   CYS   5          2HB       CYS   5  -4.366   4.922   3.859
   33   2HB   CYS   5          3HB       CYS   5  -3.148   6.183   4.127
   34    H    GLU   6           HN       GLU   6  -0.909   6.018   5.330
   35    HA   GLU   6           HA       GLU   6   1.463   5.553   3.956
   36   1HB   GLU   6          2HB       GLU   6   1.347   7.472   5.280
   37   2HB   GLU   6          3HB       GLU   6   0.753   6.608   6.676
   38   1HG   GLU   6          2HG       GLU   6   3.292   5.685   6.642
   39   2HG   GLU   6          3HG       GLU   6   3.535   7.093   5.628
   40    H    GLN   7           HN       GLN   7   0.716   4.198   7.254
   41    HA   GLN   7           HA       GLN   7   2.984   2.556   7.252
   42   1HB   GLN   7          2HB       GLN   7   0.320   2.176   8.595
   43   2HB   GLN   7          3HB       GLN   7   1.687   1.083   8.826
   44   1HG   GLN   7          2HG       GLN   7   1.282   3.765  10.050
   45   2HG   GLN   7          3HG       GLN   7   1.999   2.304  10.671
   46   1HE2  GLN   7          2HE2      GLN   7   4.327   5.012   8.568
   47   2HE2  GLN   7          1HE2      GLN   7   2.599   5.227   8.706
   48    H    ALA   8           HN       ALA   8  -0.264   1.673   5.988
   49    HA   ALA   8           HA       ALA   8   0.250  -1.024   5.426
   50   1HB   ALA   8          3HB       ALA   8  -1.908   0.110   4.976
   51   2HB   ALA   8          1HB       ALA   8  -1.188   0.962   3.601
   52   3HB   ALA   8          2HB       ALA   8  -1.333  -0.801   3.563
   53    H    MET   9           HN       MET   9   1.083   1.774   3.417
   54    HA   MET   9           HA       MET   9   2.446   0.330   1.355
   55   1HB   MET   9          2HB       MET   9   1.314   2.443   1.128
   56   2HB   MET   9          3HB       MET   9   2.415   3.176   2.324
   57   1HG   MET   9          2HG       MET   9   4.303   2.851   0.692
   58   2HG   MET   9          3HG       MET   9   3.070   2.442  -0.517
   59   1HE   MET   9          1HE       MET   9   1.033   4.152  -1.060
   60   2HE   MET   9          2HE       MET   9   0.689   4.578   0.627
   61   3HE   MET   9          3HE       MET   9   1.017   5.852  -0.555
   62    H    ALA  10           HN       ALA  10   3.530   2.193   4.128
   63    HA   ALA  10           HA       ALA  10   6.322   2.109   3.610
   64   1HB   ALA  10          1HB       ALA  10   5.070   3.707   5.103
   65   2HB   ALA  10          2HB       ALA  10   4.838   2.372   6.246
   66   3HB   ALA  10          3HB       ALA  10   6.462   2.961   5.896
   67    H    SER  11           HN       SER  11   4.050  -0.090   5.090
   68    HA   SER  11           HA       SER  11   6.134  -1.874   6.147
   69   1HB   SER  11          2HB       SER  11   4.335  -3.354   6.823
   70   2HB   SER  11          3HB       SER  11   4.209  -1.734   7.494
   71    HG   SER  11           HG       SER  11   2.662  -1.307   5.783
   72    H    CYS  12           HN       CYS  12   4.462  -1.335   3.084
   73    HA   CYS  12           HA       CYS  12   4.781  -2.345   1.136
   74   1HB   CYS  12          2HB       CYS  12   7.208  -2.770   1.818
   75   2HB   CYS  12          3HB       CYS  12   6.697  -4.425   2.216
   76    H    GLU  13           HN       GLU  13   2.875  -3.232   3.323
   77    HA   GLU  13           HA       GLU  13   2.360  -6.094   2.669
   78   1HB   GLU  13          2HB       GLU  13   1.262  -4.220   4.804
   79   2HB   GLU  13          3HB       GLU  13   0.691  -5.864   4.502
   80   1HG   GLU  13          2HG       GLU  13   2.975  -6.748   4.960
   81   2HG   GLU  13          3HG       GLU  13   3.538  -5.089   5.302
   82    H    HIS  14           HN       HIS  14   1.782  -5.604   0.464
   83    HA   HIS  14           HA       HIS  14  -0.216  -3.810  -0.382
   84   1HB   HIS  14          2HB       HIS  14  -0.260  -4.883  -2.343
   85   2HB   HIS  14          3HB       HIS  14   1.257  -5.569  -1.753
   86    HD1  HIS  14           HD1      HIS  14  -2.557  -6.560  -1.950
   87    HD2  HIS  14           HD2      HIS  14   1.323  -8.141  -1.685
   88    HE1  HIS  14           HE1      HIS  14  -2.801  -9.076  -1.985
   89    H    THR  15           HN       THR  15  -0.477  -6.824   1.314
   90    HA   THR  15           HA       THR  15  -3.093  -7.545   0.755
   91    HB   THR  15           HB       THR  15  -2.610  -8.722   3.070
   92    HG1  THR  15          1HG       THR  15  -0.428  -8.315   3.782
   93   1HG2  THR  15          2HG2      THR  15  -2.117  -9.707   0.809
   94   2HG2  THR  15          3HG2      THR  15  -0.526  -8.917   0.833
   95   3HG2  THR  15          1HG2      THR  15  -0.901 -10.163   2.031
   96    H    MET  16           HN       MET  16  -1.610  -5.376   3.273
   97    HA   MET  16           HA       MET  16  -4.165  -4.669   4.455
   98   1HB   MET  16          2HB       MET  16  -1.243  -4.441   4.995
   99   2HB   MET  16          3HB       MET  16  -2.316  -3.299   5.729
  100   1HG   MET  16          2HG       MET  16  -1.938  -5.177   7.195
  101   2HG   MET  16          3HG       MET  16  -3.641  -5.144   6.730
  102   1HE   MET  16          1HE       MET  16  -4.606  -6.860   4.833
  103   2HE   MET  16          2HE       MET  16  -4.242  -8.540   5.279
  104   3HE   MET  16          3HE       MET  16  -4.736  -7.374   6.525
  105    H    CYS  17           HN       CYS  17  -3.210  -3.781   1.495
  106    HA   CYS  17           HA       CYS  17  -3.133  -0.955   1.635
  107   1HB   CYS  17          2HB       CYS  17  -3.868  -3.049  -0.415
  108   2HB   CYS  17          3HB       CYS  17  -4.413  -1.449  -0.647
  109    H    GLY  18           HN       GLY  18  -5.589  -3.023   2.793
  110   1HA   GLY  18          1HA       GLY  18  -7.944  -1.668   1.936
  111   2HA   GLY  18          2HA       GLY  18  -7.756  -2.661   3.387
  112    OH   TYR  19           OH       TYR  19  -5.766  -2.183  10.529
  113    H    TYR  19           HN       TYR  19  -5.428  -0.620   4.164
  114    HA   TYR  19           HA       TYR  19  -7.156   1.280   5.578
  115   1HB   TYR  19          2HB       TYR  19  -4.159   0.869   5.417
  116   2HB   TYR  19          3HB       TYR  19  -4.911   2.187   6.297
  117    HD1  TYR  19           HD1      TYR  19  -4.672  -1.552   6.166
  118    HD2  TYR  19           HD2      TYR  19  -5.903   1.874   8.467
  119    HE1  TYR  19           HE1      TYR  19  -5.025  -3.005   8.118
  120    HE2  TYR  19           HE2      TYR  19  -6.251   0.409  10.437
  121    HH   TYR  19           HH       TYR  19  -5.354  -3.054  10.418
  122    H    CYS  20           HN       CYS  20  -5.656   1.154   2.463
  123    HA   CYS  20           HA       CYS  20  -5.835   4.117   1.979
  124   1HB   CYS  20          2HB       CYS  20  -4.603   1.927   0.304
  125   2HB   CYS  20          3HB       CYS  20  -4.626   3.648  -0.020
  126    H    GLN  21           HN       GLN  21  -6.981   4.553  -0.192
  127    HA   GLN  21           HA       GLN  21  -8.834   2.482  -1.132
  128   1HB   GLN  21          2HB       GLN  21 -10.762   4.153  -0.918
  129   2HB   GLN  21          3HB       GLN  21 -10.323   3.176   0.481
  130   1HG   GLN  21          2HG       GLN  21  -9.495   4.943   1.694
  131   2HG   GLN  21          3HG       GLN  21  -9.011   5.867   0.273
  132   1HE2  GLN  21          2HE2      GLN  21 -12.118   7.533  -0.136
  133   2HE2  GLN  21          1HE2      GLN  21 -10.545   7.181  -0.840
  134    H    GLY  22           HN       GLY  22  -9.897   3.029  -3.113
  135   1HA   GLY  22          1HA       GLY  22  -9.633   3.519  -5.292
  136   2HA   GLY  22          2HA       GLY  22  -9.866   5.150  -4.702
  137    HA   PRO  23           HA       PRO  23  -6.071   5.755  -6.981
  138   1HB   PRO  23          2HB       PRO  23  -5.289   8.223  -6.071
  139   2HB   PRO  23          3HB       PRO  23  -6.691   7.986  -7.140
  140   1HG   PRO  23          2HG       PRO  23  -6.730   8.287  -4.133
  141   2HG   PRO  23          3HG       PRO  23  -7.698   9.151  -5.350
  142   1HD   PRO  23          2HD       PRO  23  -8.678   6.958  -4.065
  143   2HD   PRO  23          3HD       PRO  23  -9.034   7.215  -5.783
  144    H    LEU  24           HN       LEU  24  -6.183   6.402  -3.480
  145    HA   LEU  24           HA       LEU  24  -3.413   5.999  -3.076
  146   1HB   LEU  24          2HB       LEU  24  -5.837   6.127  -1.251
  147   2HB   LEU  24          3HB       LEU  24  -4.243   5.661  -0.655
  148    HG   LEU  24           HG       LEU  24  -4.806   8.275  -2.063
  149   1HD1  LEU  24          2HD1      LEU  24  -4.310   7.372   0.775
  150   2HD1  LEU  24          3HD1      LEU  24  -4.371   9.080   0.274
  151   3HD1  LEU  24          1HD1      LEU  24  -5.833   8.045   0.129
  152   1HD2  LEU  24          2HD2      LEU  24  -2.371   7.311  -0.517
  153   2HD2  LEU  24          3HD2      LEU  24  -2.373   7.596  -2.288
  154   3HD2  LEU  24          1HD2      LEU  24  -2.612   8.929  -1.162
  155    OH   TYR  25           OH       TYR  25  -6.072  -4.293  -3.696
  156    H    TYR  25           HN       TYR  25  -6.250   3.816  -2.837
  157    HA   TYR  25           HA       TYR  25  -4.836   1.505  -1.818
  158   1HB   TYR  25          2HB       TYR  25  -7.215   1.478  -1.973
  159   2HB   TYR  25          3HB       TYR  25  -7.214   1.749  -3.713
  160    HD1  TYR  25           HD2      TYR  25  -6.769  -0.710  -1.007
  161    HD2  TYR  25           HD1      TYR  25  -6.683  -0.075  -5.265
  162    HE1  TYR  25           HE2      TYR  25  -6.502  -3.148  -1.371
  163    HE2  TYR  25           HE1      TYR  25  -6.356  -2.497  -5.616
  164    HH   TYR  25           HH       TYR  25  -5.657  -4.420  -4.563
  165    H    MET  26           HN       MET  26  -5.365   2.721  -5.135
  166    HA   MET  26           HA       MET  26  -3.821   0.629  -6.312
  167   1HB   MET  26          2HB       MET  26  -4.864   3.358  -7.181
  168   2HB   MET  26          3HB       MET  26  -3.784   2.442  -8.221
  169   1HG   MET  26          2HG       MET  26  -6.320   1.285  -6.987
  170   2HG   MET  26          3HG       MET  26  -6.301   1.990  -8.570
  171   1HE   MET  26          3HE       MET  26  -5.079   1.001 -10.686
  172   2HE   MET  26          1HE       MET  26  -3.512   0.961  -9.845
  173   3HE   MET  26          2HE       MET  26  -4.118  -0.501 -10.642
  174    H    THR  27           HN       THR  27  -2.916   3.729  -4.903
  175    HA   THR  27           HA       THR  27  -0.256   3.580  -5.948
  176    HB   THR  27           HB       THR  27  -1.649   5.361  -3.982
  177    HG1  THR  27          1HG       THR  27  -0.883   5.302  -6.623
  178   1HG2  THR  27          1HG2      THR  27   1.329   5.348  -4.628
  179   2HG2  THR  27          2HG2      THR  27   0.458   6.721  -3.918
  180   3HG2  THR  27          3HG2      THR  27   0.586   5.204  -3.023
  181    H    CYS  28           HN       CYS  28  -1.523   2.924  -2.648
  182    HA   CYS  28           HA       CYS  28   0.937   1.936  -1.662
  183   1HB   CYS  28          2HB       CYS  28  -0.327   0.910   0.085
  184   2HB   CYS  28          3HB       CYS  28  -1.098   2.452  -0.331
  185    H    ILE  29           HN       ILE  29  -1.616   0.394  -3.777
  186    HA   ILE  29           HA       ILE  29  -0.447  -2.121  -3.506
  187    HB   ILE  29           HB       ILE  29  -2.175  -0.957  -5.703
  188   1HG1  ILE  29          2HG1      ILE  29  -3.298  -1.602  -3.535
  189   2HG1  ILE  29          3HG1      ILE  29  -3.836  -2.503  -4.947
  190   1HG2  ILE  29          2HG2      ILE  29  -0.811  -3.655  -5.560
  191   2HG2  ILE  29          3HG2      ILE  29  -2.281  -3.385  -6.512
  192   3HG2  ILE  29          1HG2      ILE  29  -0.791  -2.508  -6.898
  193   1HD1  ILE  29          1HD1      ILE  29  -1.853  -3.506  -2.866
  194   2HD1  ILE  29          2HD1      ILE  29  -3.557  -3.884  -2.937
  195   3HD1  ILE  29          3HD1      ILE  29  -2.483  -4.440  -4.239
  196    H    GLY  30           HN       GLY  30  -0.111   0.290  -6.071
  197   1HA   GLY  30          1HA       GLY  30   1.767  -0.814  -7.754
  198   2HA   GLY  30          2HA       GLY  30   1.727   0.913  -7.333
  199    H    ILE  31           HN       ILE  31   2.463   1.062  -4.806
  200    HA   ILE  31           HA       ILE  31   5.293   0.651  -4.895
  201    HB   ILE  31           HB       ILE  31   3.301   1.608  -2.819
  202   1HG1  ILE  31          2HG1      ILE  31   5.832   2.896  -3.973
  203   2HG1  ILE  31          3HG1      ILE  31   4.272   2.951  -4.810
  204   1HG2  ILE  31          2HG2      ILE  31   6.239   0.958  -2.363
  205   2HG2  ILE  31          3HG2      ILE  31   5.368   2.116  -1.349
  206   3HG2  ILE  31          1HG2      ILE  31   4.854   0.438  -1.380
  207   1HD1  ILE  31          1HD1      ILE  31   3.226   4.014  -2.832
  208   2HD1  ILE  31          2HD1      ILE  31   4.832   4.108  -2.069
  209   3HD1  ILE  31          3HD1      ILE  31   4.514   4.987  -3.571
  210    H    THR  32           HN       THR  32   2.879  -0.886  -2.696
  211    HA   THR  32           HA       THR  32   4.730  -2.525  -1.430
  212    HB   THR  32           HB       THR  32   2.809  -3.923  -0.757
  213    HG1  THR  32          1HG       THR  32   1.429  -2.145  -2.483
  214   1HG2  THR  32          1HG2      THR  32   3.351  -1.227  -0.093
  215   2HG2  THR  32          2HG2      THR  32   1.594  -1.303  -0.281
  216   3HG2  THR  32          3HG2      THR  32   2.380  -2.379   0.844
  217    H    THR  33           HN       THR  33   2.721  -3.254  -4.213
  218    HA   THR  33           HA       THR  33   3.826  -5.926  -4.585
  219    HB   THR  33           HB       THR  33   2.205  -6.184  -6.282
  220    HG1  THR  33          1HG       THR  33   1.957  -3.360  -6.112
  221   1HG2  THR  33          1HG2      THR  33   1.403  -6.238  -4.009
  222   2HG2  THR  33          2HG2      THR  33   0.901  -4.533  -4.161
  223   3HG2  THR  33          3HG2      THR  33   0.170  -5.777  -5.192
  224    H    ASP  34           HN       ASP  34   5.255  -2.967  -5.063
  225    HA   ASP  34           HA       ASP  34   6.344  -3.310  -7.707
  226   1HB   ASP  34          2HB       ASP  34   6.367  -1.147  -6.364
  227   2HB   ASP  34          3HB       ASP  34   7.621  -1.870  -5.343
  228    HA   PRO  35           HA       PRO  35   8.960  -6.786  -6.331
  229   1HB   PRO  35          2HB       PRO  35  10.938  -6.651  -8.254
  230   2HB   PRO  35          3HB       PRO  35   9.337  -7.395  -8.485
  231   1HG   PRO  35          2HG       PRO  35  10.177  -4.588  -9.247
  232   2HG   PRO  35          3HG       PRO  35   9.306  -5.775 -10.256
  233   1HD   PRO  35          2HD       PRO  35   7.995  -3.836  -9.004
  234   2HD   PRO  35          3HD       PRO  35   7.271  -5.450  -8.983
  235    H    GLU  36           HN       GLU  36  10.136  -3.486  -7.039
  236    HA   GLU  36           HA       GLU  36  12.562  -3.834  -5.506
  237   1HB   GLU  36          2HB       GLU  36  12.149  -2.578  -7.775
  238   2HB   GLU  36          3HB       GLU  36  11.457  -1.302  -6.768
  239   1HG   GLU  36          2HG       GLU  36  13.633  -1.122  -5.553
  240   2HG   GLU  36          3HG       GLU  36  14.178  -2.552  -6.434
  241    H    CYS  37           HN       CYS  37   9.672  -3.633  -4.336
  242    HA   CYS  37           HA       CYS  37   9.031  -1.252  -3.144
  243   1HB   CYS  37          2HB       CYS  37   7.616  -3.293  -3.007
  244   2HB   CYS  37          3HB       CYS  37   8.708  -3.932  -1.747
  245    H    GLY  38           HN       GLY  38  10.993  -0.126  -2.443
  246   1HA   GLY  38          1HA       GLY  38  12.637   0.491  -0.982
  247   2HA   GLY  38          2HA       GLY  38  11.711  -0.268   0.321
  248    H    LEU  39           HN       LEU  39  13.294  -1.564  -2.638
  249    HA   LEU  39           HA       LEU  39  14.215  -3.926  -1.382
  250   1HB   LEU  39          2HB       LEU  39  13.885  -3.282  -3.891
  251   2HB   LEU  39          3HB       LEU  39  15.508  -2.617  -3.810
  252    HG   LEU  39           HG       LEU  39  16.316  -4.938  -3.176
  253   1HD1  LEU  39          2HD1      LEU  39  13.424  -5.688  -3.886
  254   2HD1  LEU  39          3HD1      LEU  39  14.761  -6.830  -3.703
  255   3HD1  LEU  39          1HD1      LEU  39  14.176  -5.938  -2.301
  256   1HD2  LEU  39          3HD2      LEU  39  16.377  -4.106  -5.518
  257   2HD2  LEU  39          1HD2      LEU  39  16.115  -5.851  -5.421
  258   3HD2  LEU  39          2HD2      LEU  39  14.757  -4.779  -5.788
  259    HA   PRO  40           HA       PRO  40  17.930  -2.161   0.541
  260   1HB   PRO  40          2HB       PRO  40  19.431  -4.402   0.995
  261   2HB   PRO  40          3HB       PRO  40  17.966  -4.008   1.931
  262   1HG   PRO  40          2HG       PRO  40  18.174  -5.845  -0.473
  263   2HG   PRO  40          3HG       PRO  40  17.410  -6.211   1.106
  264   1HD   PRO  40          2HD       PRO  40  15.959  -5.408  -1.002
  265   2HD   PRO  40          3HD       PRO  40  15.563  -4.793   0.623
   
  Start of MODEL          16
 Raw file had  265 H/Q atoms
  Start of MODEL   16
    1   1H    ASP   1          3HN       ASP   1  -9.389   3.441  13.082
    2   2H    ASP   1          1HN       ASP   1 -10.463   3.186  11.830
    3   3H    ASP   1          2HN       ASP   1 -10.467   2.234  13.208
    4    HA   ASP   1           HA       ASP   1  -9.208   0.804  12.383
    5   1HB   ASP   1          2HB       ASP   1  -9.190   2.699  10.030
    6   2HB   ASP   1          3HB       ASP   1  -8.102   1.334  10.050
    7    HA   PRO   2           HA       PRO   2  -5.115   2.270  13.659
    8   1HB   PRO   2          2HB       PRO   2  -3.748  -0.066  13.619
    9   2HB   PRO   2          3HB       PRO   2  -5.079   0.172  14.791
   10   1HG   PRO   2          2HG       PRO   2  -5.229  -1.185  12.078
   11   2HG   PRO   2          3HG       PRO   2  -5.758  -1.871  13.633
   12   1HD   PRO   2          2HD       PRO   2  -7.463  -0.603  11.922
   13   2HD   PRO   2          3HD       PRO   2  -7.675  -0.452  13.691
   14    H    MET   3           HN       MET   3  -2.869   1.965  12.592
   15    HA   MET   3           HA       MET   3  -1.417   1.940  10.892
   16   1HB   MET   3          2HB       MET   3  -2.155  -0.437  10.792
   17   2HB   MET   3          3HB       MET   3  -3.365   0.020   9.571
   18   1HG   MET   3          2HG       MET   3  -1.559   0.853   8.094
   19   2HG   MET   3          3HG       MET   3  -0.373   0.355   9.312
   20   1HE   MET   3          1HE       MET   3  -1.205  -2.554  10.147
   21   2HE   MET   3          2HE       MET   3  -0.366  -3.512   8.900
   22   3HE   MET   3          3HE       MET   3   0.455  -2.115   9.634
   23    H    THR   4           HN       THR   4  -1.126   3.806   9.888
   24    HA   THR   4           HA       THR   4  -3.138   5.019   8.278
   25    HB   THR   4           HB       THR   4  -1.206   6.457   7.580
   26    HG1  THR   4          1HG       THR   4   0.738   6.123   8.778
   27   1HG2  THR   4          1HG2      THR   4  -2.543   6.835   9.717
   28   2HG2  THR   4          2HG2      THR   4  -1.306   5.920  10.593
   29   3HG2  THR   4          3HG2      THR   4  -0.877   7.453   9.813
   30    H    CYS   5           HN       CYS   5  -2.980   5.456   6.000
   31    HA   CYS   5           HA       CYS   5  -2.544   3.211   4.290
   32   1HB   CYS   5          2HB       CYS   5  -3.967   4.965   3.578
   33   2HB   CYS   5          3HB       CYS   5  -2.731   6.213   3.805
   34    H    GLU   6           HN       GLU   6  -0.532   6.037   5.196
   35    HA   GLU   6           HA       GLU   6   1.865   5.428   3.921
   36   1HB   GLU   6          2HB       GLU   6   1.679   7.430   5.219
   37   2HB   GLU   6          3HB       GLU   6   1.306   6.560   6.694
   38   1HG   GLU   6          2HG       GLU   6   3.560   7.414   6.817
   39   2HG   GLU   6          3HG       GLU   6   3.714   5.666   6.602
   40    H    GLN   7           HN       GLN   7   0.892   4.223   7.239
   41    HA   GLN   7           HA       GLN   7   3.145   2.581   7.507
   42   1HB   GLN   7          2HB       GLN   7   0.351   2.219   8.598
   43   2HB   GLN   7          3HB       GLN   7   1.713   1.148   8.997
   44   1HG   GLN   7          2HG       GLN   7   1.013   3.788  10.091
   45   2HG   GLN   7          3HG       GLN   7   1.743   2.377  10.808
   46   1HE2  GLN   7          2HE2      GLN   7   4.219   5.164   8.980
   47   2HE2  GLN   7          1HE2      GLN   7   2.538   4.989   8.461
   48    H    ALA   8           HN       ALA   8  -0.056   1.632   6.128
   49    HA   ALA   8           HA       ALA   8   0.601  -1.101   5.745
   50   1HB   ALA   8          1HB       ALA   8  -1.684  -0.142   5.475
   51   2HB   ALA   8          2HB       ALA   8  -1.174   0.656   3.980
   52   3HB   ALA   8          3HB       ALA   8  -1.199  -1.119   4.079
   53    H    MET   9           HN       MET   9   0.972   1.656   3.544
   54    HA   MET   9           HA       MET   9   2.177   0.285   1.392
   55   1HB   MET   9          2HB       MET   9   1.022   2.412   1.341
   56   2HB   MET   9          3HB       MET   9   2.245   3.137   2.415
   57   1HG   MET   9          2HG       MET   9   3.924   2.929   0.607
   58   2HG   MET   9          3HG       MET   9   2.631   2.406  -0.488
   59   1HE   MET   9          2HE       MET   9   0.470   4.054  -0.992
   60   2HE   MET   9          3HE       MET   9   0.233   4.383   0.740
   61   3HE   MET   9          1HE       MET   9   0.371   5.723  -0.410
   62    H    ALA  10           HN       ALA  10   3.538   2.015   4.106
   63    HA   ALA  10           HA       ALA  10   6.267   1.932   3.359
   64   1HB   ALA  10          3HB       ALA  10   4.852   2.247   6.045
   65   2HB   ALA  10          1HB       ALA  10   6.571   2.577   5.776
   66   3HB   ALA  10          2HB       ALA  10   5.326   3.541   4.948
   67    H    SER  11           HN       SER  11   4.069  -0.267   4.969
   68    HA   SER  11           HA       SER  11   6.179  -2.149   5.815
   69   1HB   SER  11          2HB       SER  11   3.199  -2.672   5.539
   70   2HB   SER  11          3HB       SER  11   4.395  -3.635   6.425
   71    HG   SER  11           HG       SER  11   3.240  -1.155   7.036
   72    H    CYS  12           HN       CYS  12   4.361  -1.387   2.843
   73    HA   CYS  12           HA       CYS  12   4.254  -2.353   0.932
   74   1HB   CYS  12          2HB       CYS  12   6.714  -3.854   1.696
   75   2HB   CYS  12          3HB       CYS  12   5.869  -4.147   0.172
   76    H    GLU  13           HN       GLU  13   2.631  -3.022   3.093
   77    HA   GLU  13           HA       GLU  13   1.898  -5.878   2.860
   78   1HB   GLU  13          2HB       GLU  13   0.831  -3.509   4.452
   79   2HB   GLU  13          3HB       GLU  13   0.095  -5.113   4.439
   80   1HG   GLU  13          2HG       GLU  13   3.030  -4.964   5.100
   81   2HG   GLU  13          3HG       GLU  13   1.836  -4.466   6.328
   82    H    HIS  14           HN       HIS  14   1.343  -5.861   0.531
   83    HA   HIS  14           HA       HIS  14  -0.673  -4.067  -0.470
   84   1HB   HIS  14          2HB       HIS  14  -0.556  -5.126  -2.365
   85   2HB   HIS  14          3HB       HIS  14   0.925  -5.832  -1.701
   86    HD1  HIS  14           HD1      HIS  14  -2.865  -6.669  -2.011
   87    HD2  HIS  14           HD2      HIS  14   0.911  -8.473  -1.645
   88    HE1  HIS  14           HE1      HIS  14  -3.280  -9.161  -1.834
   89    H    THR  15           HN       THR  15  -0.610  -6.977   1.521
   90    HA   THR  15           HA       THR  15  -3.244  -7.850   1.123
   91    HB   THR  15           HB       THR  15  -2.776  -9.094   3.218
   92    HG1  THR  15          1HG       THR  15  -0.681  -8.697   4.170
   93   1HG2  THR  15          1HG2      THR  15  -1.976  -9.850   0.969
   94   2HG2  THR  15          2HG2      THR  15  -0.408  -9.081   1.292
   95   3HG2  THR  15          3HG2      THR  15  -0.980 -10.401   2.326
   96    H    MET  16           HN       MET  16  -1.835  -5.529   3.473
   97    HA   MET  16           HA       MET  16  -4.536  -4.805   4.449
   98   1HB   MET  16          2HB       MET  16  -1.788  -4.741   5.530
   99   2HB   MET  16          3HB       MET  16  -2.558  -3.212   5.672
  100   1HG   MET  16          2HG       MET  16  -3.095  -4.467   7.609
  101   2HG   MET  16          3HG       MET  16  -4.582  -4.258   6.656
  102   1HE   MET  16          3HE       MET  16  -1.653  -6.584   7.609
  103   2HE   MET  16          1HE       MET  16  -2.213  -8.187   7.092
  104   3HE   MET  16          2HE       MET  16  -1.771  -6.974   5.875
  105    H    CYS  17           HN       CYS  17  -3.285  -4.156   1.640
  106    HA   CYS  17           HA       CYS  17  -2.706  -1.440   1.627
  107   1HB   CYS  17          2HB       CYS  17  -2.494  -2.997  -0.328
  108   2HB   CYS  17          3HB       CYS  17  -4.249  -2.889  -0.574
  109    H    GLY  18           HN       GLY  18  -5.764  -2.944   2.222
  110   1HA   GLY  18          1HA       GLY  18  -7.407  -0.766   1.186
  111   2HA   GLY  18          2HA       GLY  18  -7.950  -2.180   2.071
  112    OH   TYR  19           OH       TYR  19  -6.051  -2.682  10.014
  113    H    TYR  19           HN       TYR  19  -5.328  -0.446   3.638
  114    HA   TYR  19           HA       TYR  19  -7.165   1.095   5.377
  115   1HB   TYR  19          2HB       TYR  19  -4.147   0.739   5.241
  116   2HB   TYR  19          3HB       TYR  19  -4.903   2.003   6.191
  117    HD1  TYR  19           HD2      TYR  19  -7.025   1.086   7.697
  118    HD2  TYR  19           HD1      TYR  19  -3.585  -1.206   6.483
  119    HE1  TYR  19           HE2      TYR  19  -7.528  -0.631   9.418
  120    HE2  TYR  19           HE1      TYR  19  -3.903  -2.673   8.466
  121    HH   TYR  19           HH       TYR  19  -5.430  -3.426  10.029
  122    H    CYS  20           HN       CYS  20  -5.048   1.366   2.571
  123    HA   CYS  20           HA       CYS  20  -5.552   4.231   2.071
  124   1HB   CYS  20          2HB       CYS  20  -4.513   2.028   0.242
  125   2HB   CYS  20          3HB       CYS  20  -4.490   3.751  -0.046
  126    H    GLN  21           HN       GLN  21  -7.155   4.878   0.507
  127    HA   GLN  21           HA       GLN  21  -8.914   2.738  -0.585
  128   1HB   GLN  21          2HB       GLN  21  -9.957   5.449   0.278
  129   2HB   GLN  21          3HB       GLN  21 -10.868   3.962   0.047
  130   1HG   GLN  21          2HG       GLN  21  -8.996   4.599   2.377
  131   2HG   GLN  21          3HG       GLN  21 -10.752   4.687   2.392
  132   1HE2  GLN  21          2HE2      GLN  21  -9.310   1.364   3.721
  133   2HE2  GLN  21          1HE2      GLN  21  -8.721   3.004   3.896
  134    H    GLY  22           HN       GLY  22 -10.441   3.880  -2.272
  135   1HA   GLY  22          1HA       GLY  22 -10.591   4.792  -4.366
  136   2HA   GLY  22          2HA       GLY  22  -9.955   6.227  -3.555
  137    HA   PRO  23           HA       PRO  23  -6.766   5.186  -6.749
  138   1HB   PRO  23          2HB       PRO  23  -5.412   7.592  -6.737
  139   2HB   PRO  23          3HB       PRO  23  -6.894   7.285  -7.686
  140   1HG   PRO  23          2HG       PRO  23  -6.677   8.539  -4.956
  141   2HG   PRO  23          3HG       PRO  23  -7.583   9.175  -6.360
  142   1HD   PRO  23          2HD       PRO  23  -8.880   7.829  -4.460
  143   2HD   PRO  23          3HD       PRO  23  -9.242   7.450  -6.152
  144    H    LEU  24           HN       LEU  24  -6.327   6.591  -3.491
  145    HA   LEU  24           HA       LEU  24  -3.614   5.995  -3.278
  146   1HB   LEU  24          2HB       LEU  24  -5.753   6.308  -1.146
  147   2HB   LEU  24          3HB       LEU  24  -4.155   5.739  -0.742
  148    HG   LEU  24           HG       LEU  24  -4.631   8.348  -2.163
  149   1HD1  LEU  24          2HD1      LEU  24  -3.998   7.688   0.750
  150   2HD1  LEU  24          3HD1      LEU  24  -4.051   9.320   0.048
  151   3HD1  LEU  24          1HD1      LEU  24  -5.533   8.350   0.134
  152   1HD2  LEU  24          1HD2      LEU  24  -2.199   6.884  -1.053
  153   2HD2  LEU  24          2HD2      LEU  24  -2.408   7.595  -2.670
  154   3HD2  LEU  24          3HD2      LEU  24  -2.218   8.643  -1.270
  155    OH   TYR  25           OH       TYR  25  -7.158  -4.212  -1.722
  156    H    TYR  25           HN       TYR  25  -6.376   3.822  -3.009
  157    HA   TYR  25           HA       TYR  25  -5.102   1.518  -1.792
  158   1HB   TYR  25          2HB       TYR  25  -7.532   1.859  -2.270
  159   2HB   TYR  25          3HB       TYR  25  -7.202   1.551  -3.968
  160    HD1  TYR  25           HD2      TYR  25  -5.744  -0.809  -4.372
  161    HD2  TYR  25           HD1      TYR  25  -8.360   0.108  -1.058
  162    HE1  TYR  25           HE2      TYR  25  -5.790  -3.183  -3.734
  163    HE2  TYR  25           HE1      TYR  25  -8.520  -2.286  -0.532
  164    HH   TYR  25           HH       TYR  25  -7.745  -4.363  -0.967
  165    H    MET  26           HN       MET  26  -5.535   2.272  -5.338
  166    HA   MET  26           HA       MET  26  -3.722   0.211  -6.033
  167   1HB   MET  26          2HB       MET  26  -5.039   2.495  -7.540
  168   2HB   MET  26          3HB       MET  26  -3.788   1.472  -8.242
  169   1HG   MET  26          2HG       MET  26  -5.108  -0.565  -7.570
  170   2HG   MET  26          3HG       MET  26  -6.467   0.518  -7.238
  171   1HE   MET  26          2HE       MET  26  -6.291  -2.064  -9.238
  172   2HE   MET  26          3HE       MET  26  -7.784  -1.143  -8.957
  173   3HE   MET  26          1HE       MET  26  -7.236  -1.462 -10.622
  174    H    THR  27           HN       THR  27  -3.165   3.622  -5.181
  175    HA   THR  27           HA       THR  27  -0.510   3.680  -6.253
  176    HB   THR  27           HB       THR  27  -1.875   5.144  -4.032
  177    HG1  THR  27          1HG       THR  27  -0.530   6.115  -6.359
  178   1HG2  THR  27          2HG2      THR  27   1.039   5.266  -4.671
  179   2HG2  THR  27          3HG2      THR  27   0.197   6.647  -3.934
  180   3HG2  THR  27          1HG2      THR  27   0.265   5.097  -3.094
  181    H    CYS  28           HN       CYS  28  -1.697   2.936  -2.970
  182    HA   CYS  28           HA       CYS  28   0.745   2.000  -1.923
  183   1HB   CYS  28          2HB       CYS  28  -0.671   2.077  -0.237
  184   2HB   CYS  28          3HB       CYS  28  -2.123   1.813  -1.217
  185    H    ILE  29           HN       ILE  29  -1.578   0.359  -4.114
  186    HA   ILE  29           HA       ILE  29  -0.402  -2.139  -3.696
  187    HB   ILE  29           HB       ILE  29  -1.981  -1.117  -6.050
  188   1HG1  ILE  29          2HG1      ILE  29  -3.275  -1.514  -3.982
  189   2HG1  ILE  29          3HG1      ILE  29  -3.692  -2.662  -5.241
  190   1HG2  ILE  29          3HG2      ILE  29  -0.708  -3.819  -5.667
  191   2HG2  ILE  29          1HG2      ILE  29  -2.076  -3.517  -6.768
  192   3HG2  ILE  29          2HG2      ILE  29  -0.530  -2.702  -7.030
  193   1HD1  ILE  29          3HD1      ILE  29  -2.204  -4.372  -4.108
  194   2HD1  ILE  29          1HD1      ILE  29  -1.950  -3.211  -2.788
  195   3HD1  ILE  29          2HD1      ILE  29  -3.561  -3.825  -3.116
  196    H    GLY  30           HN       GLY  30   0.050   0.143  -6.357
  197   1HA   GLY  30          1HA       GLY  30   2.221  -1.163  -7.589
  198   2HA   GLY  30          2HA       GLY  30   1.860   0.558  -7.739
  199    H    ILE  31           HN       ILE  31   2.357   0.357  -4.521
  200    HA   ILE  31           HA       ILE  31   5.350   0.433  -4.610
  201    HB   ILE  31           HB       ILE  31   3.208   1.411  -2.656
  202   1HG1  ILE  31          2HG1      ILE  31   5.833   2.723  -3.465
  203   2HG1  ILE  31          3HG1      ILE  31   4.454   2.722  -4.576
  204   1HG2  ILE  31          1HG2      ILE  31   6.133   0.777  -2.031
  205   2HG2  ILE  31          2HG2      ILE  31   5.160   1.886  -1.057
  206   3HG2  ILE  31          3HG2      ILE  31   4.709   0.190  -1.155
  207   1HD1  ILE  31          2HD1      ILE  31   3.029   3.809  -2.896
  208   2HD1  ILE  31          3HD1      ILE  31   4.456   3.959  -1.828
  209   3HD1  ILE  31          1HD1      ILE  31   4.435   4.761  -3.406
  210    H    THR  32           HN       THR  32   2.786  -1.017  -2.671
  211    HA   THR  32           HA       THR  32   4.516  -2.668  -1.273
  212    HB   THR  32           HB       THR  32   2.439  -3.909  -0.642
  213    HG1  THR  32          1HG       THR  32   1.291  -2.184  -2.578
  214   1HG2  THR  32          2HG2      THR  32   3.019  -1.105  -0.249
  215   2HG2  THR  32          3HG2      THR  32   1.282  -1.259  -0.432
  216   3HG2  THR  32          1HG2      THR  32   2.079  -2.181   0.813
  217    H    THR  33           HN       THR  33   2.678  -3.448  -4.214
  218    HA   THR  33           HA       THR  33   3.754  -6.171  -4.273
  219    HB   THR  33           HB       THR  33   2.160  -6.445  -6.112
  220    HG1  THR  33          1HG       THR  33   2.152  -4.629  -7.260
  221   1HG2  THR  33          2HG2      THR  33   1.335  -6.527  -3.840
  222   2HG2  THR  33          3HG2      THR  33   0.867  -4.802  -3.988
  223   3HG2  THR  33          1HG2      THR  33   0.124  -6.023  -5.035
  224    H    ASP  34           HN       ASP  34   5.295  -3.244  -4.852
  225    HA   ASP  34           HA       ASP  34   6.313  -4.006  -7.479
  226   1HB   ASP  34          2HB       ASP  34   7.049  -1.966  -7.772
  227   2HB   ASP  34          3HB       ASP  34   5.799  -1.645  -6.585
  228    HA   PRO  35           HA       PRO  35   9.702  -6.349  -5.916
  229   1HB   PRO  35          2HB       PRO  35  11.459  -6.361  -7.966
  230   2HB   PRO  35          3HB       PRO  35   9.821  -7.049  -8.141
  231   1HG   PRO  35          2HG       PRO  35  10.763  -4.302  -8.998
  232   2HG   PRO  35          3HG       PRO  35   9.836  -5.486  -9.960
  233   1HD   PRO  35          2HD       PRO  35   8.652  -3.426  -8.565
  234   2HD   PRO  35          3HD       PRO  35   7.855  -5.012  -8.813
  235    H    GLU  36           HN       GLU  36  10.205  -2.888  -6.627
  236    HA   GLU  36           HA       GLU  36  12.966  -2.845  -5.902
  237   1HB   GLU  36          2HB       GLU  36  10.792  -0.739  -6.431
  238   2HB   GLU  36          3HB       GLU  36  12.488  -0.408  -6.244
  239   1HG   GLU  36          2HG       GLU  36  13.029  -1.596  -8.323
  240   2HG   GLU  36          3HG       GLU  36  11.352  -2.126  -8.491
  241    H    CYS  37           HN       CYS  37  10.003  -2.675  -4.462
  242    HA   CYS  37           HA       CYS  37  10.139  -1.086  -2.272
  243   1HB   CYS  37          2HB       CYS  37   8.102  -2.291  -2.516
  244   2HB   CYS  37          3HB       CYS  37   8.890  -3.859  -2.288
  245    H    GLY  38           HN       GLY  38  12.108  -0.742  -1.375
  246   1HA   GLY  38          1HA       GLY  38  13.911  -1.021  -0.013
  247   2HA   GLY  38          2HA       GLY  38  12.911  -2.122   0.942
  248    H    LEU  39           HN       LEU  39  14.106  -2.294  -2.433
  249    HA   LEU  39           HA       LEU  39  15.330  -4.886  -2.128
  250   1HB   LEU  39          2HB       LEU  39  14.584  -3.585  -4.280
  251   2HB   LEU  39          3HB       LEU  39  16.119  -2.728  -4.129
  252    HG   LEU  39           HG       LEU  39  17.254  -4.989  -4.261
  253   1HD1  LEU  39          1HD1      LEU  39  14.445  -5.948  -5.010
  254   2HD1  LEU  39          2HD1      LEU  39  15.937  -6.877  -5.234
  255   3HD1  LEU  39          3HD1      LEU  39  15.377  -6.501  -3.605
  256   1HD2  LEU  39          3HD2      LEU  39  17.042  -3.499  -6.200
  257   2HD2  LEU  39          1HD2      LEU  39  16.932  -5.196  -6.695
  258   3HD2  LEU  39          2HD2      LEU  39  15.459  -4.207  -6.592
  259    HA   PRO  40           HA       PRO  40  18.513  -3.086   0.453
  260   1HB   PRO  40          2HB       PRO  40  20.466  -5.008   0.394
  261   2HB   PRO  40          3HB       PRO  40  18.926  -5.202   1.285
  262   1HG   PRO  40          2HG       PRO  40  19.600  -6.205  -1.493
  263   2HG   PRO  40          3HG       PRO  40  18.861  -7.137  -0.150
  264   1HD   PRO  40          2HD       PRO  40  17.360  -6.045  -2.122
  265   2HD   PRO  40          3HD       PRO  40  16.772  -5.999  -0.432
   
  Start of MODEL          17
 Raw file had  265 H/Q atoms
  Start of MODEL   17
    1   1H    ASP   1          2HN       ASP   1 -10.408   3.517  13.471
    2   2H    ASP   1          3HN       ASP   1 -10.850   4.517  12.231
    3   3H    ASP   1          1HN       ASP   1 -11.817   3.258  12.665
    4    HA   ASP   1           HA       ASP   1 -10.439   1.648  11.828
    5   1HB   ASP   1          2HB       ASP   1  -9.985   3.934   9.894
    6   2HB   ASP   1          3HB       ASP   1  -9.978   2.208   9.535
    7    HA   PRO   2           HA       PRO   2  -6.407   2.732  13.374
    8   1HB   PRO   2          2HB       PRO   2  -5.222   0.345  13.549
    9   2HB   PRO   2          3HB       PRO   2  -6.746   0.697  14.429
   10   1HG   PRO   2          2HG       PRO   2  -6.456  -0.702  11.735
   11   2HG   PRO   2          3HG       PRO   2  -7.316  -1.336  13.161
   12   1HD   PRO   2          2HD       PRO   2  -8.597   0.079  11.169
   13   2HD   PRO   2          3HD       PRO   2  -9.087   0.159  12.879
   14    H    MET   3           HN       MET   3  -4.103   2.717  12.717
   15    HA   MET   3           HA       MET   3  -2.358   2.731  11.371
   16   1HB   MET   3          2HB       MET   3  -3.027   0.285  11.464
   17   2HB   MET   3          3HB       MET   3  -3.611   0.455   9.801
   18   1HG   MET   3          2HG       MET   3  -1.424   0.921   9.003
   19   2HG   MET   3          3HG       MET   3  -0.850   1.383  10.620
   20   1HE   MET   3          3HE       MET   3  -1.609  -1.509   8.231
   21   2HE   MET   3          1HE       MET   3  -1.210  -2.932   9.212
   22   3HE   MET   3          2HE       MET   3  -2.662  -1.982   9.607
   23    H    THR   4           HN       THR   4  -1.411   3.720   9.675
   24    HA   THR   4           HA       THR   4  -3.282   5.165   7.975
   25    HB   THR   4           HB       THR   4  -1.252   6.462   7.357
   26    HG1  THR   4          1HG       THR   4   0.551   6.024   8.803
   27   1HG2  THR   4          3HG2      THR   4  -2.721   7.138   9.289
   28   2HG2  THR   4          1HG2      THR   4  -1.676   6.198  10.376
   29   3HG2  THR   4          2HG2      THR   4  -1.027   7.604   9.508
   30    H    CYS   5           HN       CYS   5  -3.076   5.404   5.780
   31    HA   CYS   5           HA       CYS   5  -2.577   3.162   4.156
   32   1HB   CYS   5          2HB       CYS   5  -3.795   5.105   3.332
   33   2HB   CYS   5          3HB       CYS   5  -2.400   6.169   3.568
   34    H    GLU   6           HN       GLU   6  -0.543   5.957   5.003
   35    HA   GLU   6           HA       GLU   6   1.919   5.312   3.888
   36   1HB   GLU   6          2HB       GLU   6   1.446   7.253   5.058
   37   2HB   GLU   6          3HB       GLU   6   1.240   6.476   6.633
   38   1HG   GLU   6          2HG       GLU   6   3.680   6.064   6.654
   39   2HG   GLU   6          3HG       GLU   6   3.819   6.777   5.033
   40    H    GLN   7           HN       GLN   7   0.728   4.276   7.173
   41    HA   GLN   7           HA       GLN   7   2.882   2.606   7.624
   42   1HB   GLN   7          2HB       GLN   7   0.054   2.732   8.723
   43   2HB   GLN   7          3HB       GLN   7   0.913   1.208   8.870
   44   1HG   GLN   7          2HG       GLN   7   1.182   2.368  10.806
   45   2HG   GLN   7          3HG       GLN   7   2.769   2.289  10.031
   46   1HE2  GLN   7          2HE2      GLN   7   2.917   5.924   9.624
   47   2HE2  GLN   7          1HE2      GLN   7   3.405   4.465   8.810
   48    H    ALA   8           HN       ALA   8  -0.184   1.632   6.041
   49    HA   ALA   8           HA       ALA   8   0.562  -1.086   5.677
   50   1HB   ALA   8          3HB       ALA   8  -1.700  -0.151   5.279
   51   2HB   ALA   8          1HB       ALA   8  -1.131   0.621   3.793
   52   3HB   ALA   8          2HB       ALA   8  -1.139  -1.151   3.926
   53    H    MET   9           HN       MET   9   1.055   1.670   3.474
   54    HA   MET   9           HA       MET   9   2.385   0.215   1.416
   55   1HB   MET   9          2HB       MET   9   1.223   2.334   1.170
   56   2HB   MET   9          3HB       MET   9   2.380   3.108   2.298
   57   1HG   MET   9          2HG       MET   9   4.159   2.766   0.564
   58   2HG   MET   9          3HG       MET   9   2.870   2.287  -0.554
   59   1HE   MET   9          1HE       MET   9   0.712   4.001  -0.980
   60   2HE   MET   9          2HE       MET   9   0.559   4.465   0.730
   61   3HE   MET   9          3HE       MET   9   0.733   5.715  -0.509
   62    H    ALA  10           HN       ALA  10   3.525   1.861   4.285
   63    HA   ALA  10           HA       ALA  10   6.294   2.012   3.619
   64   1HB   ALA  10          3HB       ALA  10   4.696   2.116   6.199
   65   2HB   ALA  10          1HB       ALA  10   6.419   2.536   6.066
   66   3HB   ALA  10          2HB       ALA  10   5.186   3.478   5.188
   67    H    SER  11           HN       SER  11   4.174  -0.439   5.030
   68    HA   SER  11           HA       SER  11   6.479  -2.217   5.665
   69   1HB   SER  11          2HB       SER  11   3.920  -3.586   5.528
   70   2HB   SER  11          3HB       SER  11   5.061  -3.473   6.842
   71    HG   SER  11           HG       SER  11   2.817  -2.407   6.934
   72    H    CYS  12           HN       CYS  12   4.440  -1.463   2.831
   73    HA   CYS  12           HA       CYS  12   4.331  -2.405   0.909
   74   1HB   CYS  12          2HB       CYS  12   6.944  -3.636   1.555
   75   2HB   CYS  12          3HB       CYS  12   6.077  -4.104   0.088
   76    H    GLU  13           HN       GLU  13   2.806  -3.282   3.134
   77    HA   GLU  13           HA       GLU  13   2.381  -6.186   2.728
   78   1HB   GLU  13          2HB       GLU  13   0.787  -5.987   4.608
   79   2HB   GLU  13          3HB       GLU  13   2.473  -5.666   4.988
   80   1HG   GLU  13          2HG       GLU  13   1.957  -3.197   4.977
   81   2HG   GLU  13          3HG       GLU  13   0.281  -3.552   4.738
   82    H    HIS  14           HN       HIS  14   1.780  -5.803   0.491
   83    HA   HIS  14           HA       HIS  14  -0.147  -4.095  -0.436
   84   1HB   HIS  14          2HB       HIS  14  -0.033  -5.057  -2.352
   85   2HB   HIS  14          3HB       HIS  14   1.297  -6.006  -1.689
   86    HD1  HIS  14           HD1      HIS  14  -2.477  -6.149  -2.525
   87    HD2  HIS  14           HD2      HIS  14   0.832  -8.646  -1.825
   88    HE1  HIS  14           HE1      HIS  14  -3.261  -8.517  -2.996
   89    H    THR  15           HN       THR  15  -0.855  -7.235   1.029
   90    HA   THR  15           HA       THR  15  -3.576  -7.244   0.211
   91    HB   THR  15           HB       THR  15  -3.869  -8.933   2.014
   92    HG1  THR  15          1HG       THR  15  -1.110  -8.364   2.488
   93   1HG2  THR  15          1HG2      THR  15  -3.029  -9.494  -0.243
   94   2HG2  THR  15          2HG2      THR  15  -1.373  -9.218   0.279
   95   3HG2  THR  15          3HG2      THR  15  -2.312 -10.541   0.999
   96    H    MET  16           HN       MET  16  -1.920  -5.599   2.839
   97    HA   MET  16           HA       MET  16  -4.326  -5.002   4.354
   98   1HB   MET  16          2HB       MET  16  -1.405  -4.881   4.706
   99   2HB   MET  16          3HB       MET  16  -2.158  -3.385   5.203
  100   1HG   MET  16          2HG       MET  16  -2.184  -4.505   7.103
  101   2HG   MET  16          3HG       MET  16  -3.799  -4.915   6.524
  102   1HE   MET  16          3HE       MET  16  -4.545  -7.326   5.900
  103   2HE   MET  16          1HE       MET  16  -3.387  -7.332   4.553
  104   3HE   MET  16          2HE       MET  16  -3.404  -8.685   5.678
  105    H    CYS  17           HN       CYS  17  -3.116  -3.631   1.414
  106    HA   CYS  17           HA       CYS  17  -3.040  -0.959   1.952
  107   1HB   CYS  17          2HB       CYS  17  -3.795  -2.635  -0.465
  108   2HB   CYS  17          3HB       CYS  17  -3.789  -0.905  -0.496
  109    H    GLY  18           HN       GLY  18  -5.838  -2.810   2.559
  110   1HA   GLY  18          1HA       GLY  18  -7.927  -1.097   1.670
  111   2HA   GLY  18          2HA       GLY  18  -7.948  -2.166   3.077
  112    OH   TYR  19           OH       TYR  19  -5.973  -3.222   9.454
  113    H    TYR  19           HN       TYR  19  -5.464  -0.648   4.243
  114    HA   TYR  19           HA       TYR  19  -6.948   1.357   5.688
  115   1HB   TYR  19          2HB       TYR  19  -3.955   0.892   5.334
  116   2HB   TYR  19          3HB       TYR  19  -4.673   2.040   6.454
  117    HD1  TYR  19           HD2      TYR  19  -6.640   1.014   7.982
  118    HD2  TYR  19           HD1      TYR  19  -3.389  -1.247   6.281
  119    HE1  TYR  19           HE2      TYR  19  -7.185  -0.878   9.455
  120    HE2  TYR  19           HE1      TYR  19  -3.919  -3.116   7.795
  121    HH   TYR  19           HH       TYR  19  -5.268  -3.887   9.461
  122    H    CYS  20           HN       CYS  20  -5.210   1.296   2.663
  123    HA   CYS  20           HA       CYS  20  -5.437   4.202   2.204
  124   1HB   CYS  20          2HB       CYS  20  -4.589   1.999   0.284
  125   2HB   CYS  20          3HB       CYS  20  -4.460   3.715   0.106
  126    H    GLN  21           HN       GLN  21  -6.858   4.854   0.317
  127    HA   GLN  21           HA       GLN  21  -8.666   2.703  -0.644
  128   1HB   GLN  21          2HB       GLN  21 -10.651   3.982  -0.361
  129   2HB   GLN  21          3HB       GLN  21  -9.889   3.644   1.193
  130   1HG   GLN  21          2HG       GLN  21 -10.596   5.850   1.420
  131   2HG   GLN  21          3HG       GLN  21  -8.881   5.978   1.084
  132   1HE2  GLN  21          2HE2      GLN  21  -9.554   8.254  -1.579
  133   2HE2  GLN  21          1HE2      GLN  21  -8.513   7.713  -0.284
  134    H    GLY  22           HN       GLY  22  -9.861   3.204  -2.523
  135   1HA   GLY  22          1HA       GLY  22  -9.613   3.432  -4.704
  136   2HA   GLY  22          2HA       GLY  22  -9.882   5.131  -4.343
  137    HA   PRO  23           HA       PRO  23  -6.131   5.657  -6.641
  138   1HB   PRO  23          2HB       PRO  23  -5.273   8.154  -5.817
  139   2HB   PRO  23          3HB       PRO  23  -6.664   7.896  -6.902
  140   1HG   PRO  23          2HG       PRO  23  -6.728   8.338  -3.908
  141   2HG   PRO  23          3HG       PRO  23  -7.732   9.125  -5.156
  142   1HD   PRO  23          2HD       PRO  23  -8.654   7.009  -3.729
  143   2HD   PRO  23          3HD       PRO  23  -9.027   7.151  -5.471
  144    H    LEU  24           HN       LEU  24  -6.082   6.318  -3.138
  145    HA   LEU  24           HA       LEU  24  -3.281   5.772  -2.888
  146   1HB   LEU  24          2HB       LEU  24  -5.544   6.302  -0.961
  147   2HB   LEU  24          3HB       LEU  24  -4.000   5.658  -0.400
  148    HG   LEU  24           HG       LEU  24  -4.305   8.283  -1.843
  149   1HD1  LEU  24          2HD1      LEU  24  -3.535   7.457   0.996
  150   2HD1  LEU  24          3HD1      LEU  24  -3.489   9.116   0.374
  151   3HD1  LEU  24          1HD1      LEU  24  -5.041   8.262   0.508
  152   1HD2  LEU  24          3HD2      LEU  24  -1.910   6.632  -0.968
  153   2HD2  LEU  24          1HD2      LEU  24  -2.159   7.487  -2.513
  154   3HD2  LEU  24          2HD2      LEU  24  -1.828   8.401  -1.047
  155    OH   TYR  25           OH       TYR  25  -6.259  -4.448  -2.239
  156    H    TYR  25           HN       TYR  25  -6.192   3.769  -2.772
  157    HA   TYR  25           HA       TYR  25  -4.881   1.351  -1.697
  158   1HB   TYR  25          2HB       TYR  25  -7.353   1.587  -1.944
  159   2HB   TYR  25          3HB       TYR  25  -7.174   1.498  -3.691
  160    HD1  TYR  25           HD2      TYR  25  -6.407  -0.649  -4.766
  161    HD2  TYR  25           HD1      TYR  25  -7.082  -0.325  -0.527
  162    HE1  TYR  25           HE2      TYR  25  -6.203  -3.106  -4.546
  163    HE2  TYR  25           HE1      TYR  25  -6.794  -2.781  -0.300
  164    HH   TYR  25           HH       TYR  25  -6.020  -4.878  -3.074
  165    H    MET  26           HN       MET  26  -5.520   2.486  -5.030
  166    HA   MET  26           HA       MET  26  -3.969   0.479  -6.274
  167   1HB   MET  26          2HB       MET  26  -4.818   3.310  -7.056
  168   2HB   MET  26          3HB       MET  26  -3.997   2.204  -8.138
  169   1HG   MET  26          2HG       MET  26  -6.024   0.593  -7.026
  170   2HG   MET  26          3HG       MET  26  -6.798   2.151  -7.120
  171   1HE   MET  26          3HE       MET  26  -4.992  -0.785  -8.930
  172   2HE   MET  26          1HE       MET  26  -5.071  -0.298 -10.638
  173   3HE   MET  26          2HE       MET  26  -4.017   0.572  -9.527
  174    H    THR  27           HN       THR  27  -2.999   3.708  -5.055
  175    HA   THR  27           HA       THR  27  -0.382   3.447  -6.109
  176    HB   THR  27           HB       THR  27  -1.689   5.149  -4.030
  177    HG1  THR  27          1HG       THR  27  -1.348   6.715  -5.558
  178   1HG2  THR  27          2HG2      THR  27   1.261   5.165  -4.639
  179   2HG2  THR  27          3HG2      THR  27   0.381   6.544  -3.916
  180   3HG2  THR  27          1HG2      THR  27   0.474   5.005  -3.057
  181    H    CYS  28           HN       CYS  28  -1.582   2.851  -2.784
  182    HA   CYS  28           HA       CYS  28   0.789   1.810  -1.697
  183   1HB   CYS  28          2HB       CYS  28  -1.000   2.314  -0.410
  184   2HB   CYS  28          3HB       CYS  28  -2.160   1.243  -1.234
  185    H    ILE  29           HN       ILE  29  -1.648   0.257  -3.879
  186    HA   ILE  29           HA       ILE  29  -0.495  -2.257  -3.523
  187    HB   ILE  29           HB       ILE  29  -2.312  -1.151  -5.657
  188   1HG1  ILE  29          2HG1      ILE  29  -3.300  -1.741  -3.432
  189   2HG1  ILE  29          3HG1      ILE  29  -3.888  -2.738  -4.769
  190   1HG2  ILE  29          2HG2      ILE  29  -0.913  -3.838  -5.591
  191   2HG2  ILE  29          3HG2      ILE  29  -2.422  -3.545  -6.477
  192   3HG2  ILE  29          1HG2      ILE  29  -0.946  -2.667  -6.903
  193   1HD1  ILE  29          1HD1      ILE  29  -2.311  -4.551  -4.055
  194   2HD1  ILE  29          2HD1      ILE  29  -1.842  -3.559  -2.661
  195   3HD1  ILE  29          3HD1      ILE  29  -3.505  -4.103  -2.818
  196    H    GLY  30           HN       GLY  30  -0.183   0.099  -6.134
  197   1HA   GLY  30          1HA       GLY  30   1.699  -0.975  -7.799
  198   2HA   GLY  30          2HA       GLY  30   1.648   0.743  -7.353
  199    H    ILE  31           HN       ILE  31   2.372   0.859  -4.806
  200    HA   ILE  31           HA       ILE  31   5.230   0.384  -4.912
  201    HB   ILE  31           HB       ILE  31   3.249   1.392  -2.831
  202   1HG1  ILE  31          2HG1      ILE  31   5.800   2.654  -3.961
  203   2HG1  ILE  31          3HG1      ILE  31   4.238   2.732  -4.802
  204   1HG2  ILE  31          2HG2      ILE  31   6.187   0.724  -2.368
  205   2HG2  ILE  31          3HG2      ILE  31   5.289   1.862  -1.352
  206   3HG2  ILE  31          1HG2      ILE  31   4.784   0.185  -1.410
  207   1HD1  ILE  31          1HD1      ILE  31   3.196   3.807  -2.870
  208   2HD1  ILE  31          2HD1      ILE  31   4.788   3.890  -2.060
  209   3HD1  ILE  31          3HD1      ILE  31   4.525   4.752  -3.585
  210    H    THR  32           HN       THR  32   2.796  -1.055  -2.739
  211    HA   THR  32           HA       THR  32   4.594  -2.707  -1.403
  212    HB   THR  32           HB       THR  32   2.564  -4.019  -0.760
  213    HG1  THR  32          1HG       THR  32   1.346  -2.251  -2.608
  214   1HG2  THR  32          3HG2      THR  32   3.111  -1.215  -0.313
  215   2HG2  THR  32          1HG2      THR  32   1.374  -1.420  -0.426
  216   3HG2  THR  32          2HG2      THR  32   2.236  -2.355   0.757
  217    H    THR  33           HN       THR  33   2.629  -3.472  -4.219
  218    HA   THR  33           HA       THR  33   3.543  -6.206  -4.302
  219    HB   THR  33           HB       THR  33   2.161  -6.466  -6.198
  220    HG1  THR  33          1HG       THR  33   1.766  -3.656  -6.136
  221   1HG2  THR  33          1HG2      THR  33   1.119  -6.421  -4.066
  222   2HG2  THR  33          2HG2      THR  33   0.744  -4.687  -4.286
  223   3HG2  THR  33          3HG2      THR  33   0.051  -5.912  -5.381
  224    H    ASP  34           HN       ASP  34   5.248  -3.285  -5.041
  225    HA   ASP  34           HA       ASP  34   6.323  -4.467  -7.548
  226   1HB   ASP  34          2HB       ASP  34   7.315  -2.546  -8.194
  227   2HB   ASP  34          3HB       ASP  34   5.738  -2.105  -7.617
  228    HA   PRO  35           HA       PRO  35   9.843  -6.117  -5.382
  229   1HB   PRO  35          2HB       PRO  35  11.605  -6.510  -7.413
  230   2HB   PRO  35          3HB       PRO  35  10.122  -7.483  -7.225
  231   1HG   PRO  35          2HG       PRO  35  10.557  -5.079  -9.021
  232   2HG   PRO  35          3HG       PRO  35   9.829  -6.650  -9.459
  233   1HD   PRO  35          2HD       PRO  35   8.314  -4.479  -8.826
  234   2HD   PRO  35          3HD       PRO  35   7.808  -6.118  -8.340
  235    H    GLU  36           HN       GLU  36   9.761  -2.966  -6.735
  236    HA   GLU  36           HA       GLU  36  12.551  -2.372  -6.376
  237   1HB   GLU  36          2HB       GLU  36  10.701  -1.344  -8.057
  238   2HB   GLU  36          3HB       GLU  36  10.319  -0.348  -6.652
  239   1HG   GLU  36          2HG       GLU  36  12.847   0.208  -6.619
  240   2HG   GLU  36          3HG       GLU  36  12.890  -0.530  -8.235
  241    H    CYS  37           HN       CYS  37   9.698  -2.267  -4.722
  242    HA   CYS  37           HA       CYS  37  10.008  -0.579  -2.551
  243   1HB   CYS  37          2HB       CYS  37   7.935  -1.874  -2.783
  244   2HB   CYS  37          3HB       CYS  37   8.796  -3.376  -2.421
  245    H    GLY  38           HN       GLY  38  12.086  -0.341  -1.764
  246   1HA   GLY  38          1HA       GLY  38  13.337  -0.761   0.233
  247   2HA   GLY  38          2HA       GLY  38  12.921  -2.483   0.136
  248    H    LEU  39           HN       LEU  39  13.606  -1.869  -2.956
  249    HA   LEU  39           HA       LEU  39  16.339  -2.741  -2.949
  250   1HB   LEU  39          2HB       LEU  39  14.420  -2.966  -4.748
  251   2HB   LEU  39          3HB       LEU  39  14.865  -1.315  -5.195
  252    HG   LEU  39           HG       LEU  39  17.202  -2.169  -5.670
  253   1HD1  LEU  39          3HD1      LEU  39  15.820  -4.880  -5.252
  254   2HD1  LEU  39          1HD1      LEU  39  17.404  -4.655  -6.017
  255   3HD1  LEU  39          2HD1      LEU  39  17.193  -4.262  -4.310
  256   1HD2  LEU  39          1HD2      LEU  39  15.502  -1.833  -7.430
  257   2HD2  LEU  39          2HD2      LEU  39  16.514  -3.239  -7.798
  258   3HD2  LEU  39          3HD2      LEU  39  14.874  -3.474  -7.158
  259    HA   PRO  40           HA       PRO  40  17.724   1.362  -1.830
  260   1HB   PRO  40          2HB       PRO  40  20.364   1.309  -2.519
  261   2HB   PRO  40          3HB       PRO  40  19.691   0.412  -1.127
  262   1HG   PRO  40          2HG       PRO  40  20.225  -0.627  -3.922
  263   2HG   PRO  40          3HG       PRO  40  20.717  -1.380  -2.373
  264   1HD   PRO  40          2HD       PRO  40  18.492  -2.180  -3.703
  265   2HD   PRO  40          3HD       PRO  40  18.460  -2.051  -1.916
   
  Start of MODEL          18
 Raw file had  265 H/Q atoms
  Start of MODEL   18
    1   1H    ASP   1          2HN       ASP   1  -5.081  -4.137  15.555
    2   2H    ASP   1          3HN       ASP   1  -3.774  -4.243  16.516
    3   3H    ASP   1          1HN       ASP   1  -4.553  -2.841  16.496
    4    HA   ASP   1           HA       ASP   1  -2.452  -2.757  15.253
    5   1HB   ASP   1          2HB       ASP   1  -2.352  -4.101  13.091
    6   2HB   ASP   1          3HB       ASP   1  -2.068  -4.908  14.619
    7    HA   PRO   2           HA       PRO   2  -5.328  -0.356  12.534
    8   1HB   PRO   2          2HB       PRO   2  -4.821   2.072  13.507
    9   2HB   PRO   2          3HB       PRO   2  -6.076   1.041  14.288
   10   1HG   PRO   2          2HG       PRO   2  -3.200   1.434  15.131
   11   2HG   PRO   2          3HG       PRO   2  -4.629   1.510  16.192
   12   1HD   PRO   2          2HD       PRO   2  -3.027  -0.711  15.904
   13   2HD   PRO   2          3HD       PRO   2  -4.783  -0.905  16.173
   14    H    MET   3           HN       MET   3  -4.265   1.160  11.021
   15    HA   MET   3           HA       MET   3  -1.669   2.177  11.483
   16   1HB   MET   3          2HB       MET   3  -0.328   0.924  10.074
   17   2HB   MET   3          3HB       MET   3  -1.250  -0.332  10.840
   18   1HG   MET   3          2HG       MET   3  -2.884   0.034   8.846
   19   2HG   MET   3          3HG       MET   3  -1.471   0.704   8.048
   20   1HE   MET   3          3HE       MET   3   0.754  -1.206   9.606
   21   2HE   MET   3          1HE       MET   3   0.960  -2.527   8.452
   22   3HE   MET   3          2HE       MET   3   0.924  -0.858   7.858
   23    H    THR   4           HN       THR   4  -1.160   3.630   9.545
   24    HA   THR   4           HA       THR   4  -3.667   4.544   8.304
   25    HB   THR   4           HB       THR   4  -2.119   6.232   7.377
   26    HG1  THR   4          1HG       THR   4  -0.039   6.304   8.404
   27   1HG2  THR   4          2HG2      THR   4  -3.293   6.414   9.699
   28   2HG2  THR   4          3HG2      THR   4  -1.672   6.132  10.355
   29   3HG2  THR   4          1HG2      THR   4  -1.971   7.541   9.335
   30    H    CYS   5           HN       CYS   5  -3.542   5.148   6.006
   31    HA   CYS   5           HA       CYS   5  -2.814   3.113   4.185
   32   1HB   CYS   5          2HB       CYS   5  -4.289   4.943   3.558
   33   2HB   CYS   5          3HB       CYS   5  -3.023   6.146   3.860
   34    H    GLU   6           HN       GLU   6  -1.004   5.935   5.419
   35    HA   GLU   6           HA       GLU   6   1.354   5.694   3.869
   36   1HB   GLU   6          2HB       GLU   6   1.442   7.610   5.087
   37   2HB   GLU   6          3HB       GLU   6   0.644   6.933   6.499
   38   1HG   GLU   6          2HG       GLU   6   2.747   5.970   7.260
   39   2HG   GLU   6          3HG       GLU   6   3.552   6.405   5.762
   40    H    GLN   7           HN       GLN   7   0.687   4.393   7.133
   41    HA   GLN   7           HA       GLN   7   2.938   2.797   7.457
   42   1HB   GLN   7          2HB       GLN   7   0.050   2.462   8.379
   43   2HB   GLN   7          3HB       GLN   7   1.291   1.250   8.674
   44   1HG   GLN   7          2HG       GLN   7   1.224   2.350  10.621
   45   2HG   GLN   7          3HG       GLN   7   2.663   3.004   9.789
   46   1HE2  GLN   7          2HE2      GLN   7   1.442   6.322   9.992
   47   2HE2  GLN   7          1HE2      GLN   7   2.658   5.276   9.262
   48    H    ALA   8           HN       ALA   8  -0.169   1.842   5.867
   49    HA   ALA   8           HA       ALA   8   0.543  -0.819   5.368
   50   1HB   ALA   8          3HB       ALA   8  -1.721   0.121   5.044
   51   2HB   ALA   8          1HB       ALA   8  -1.168   0.925   3.555
   52   3HB   ALA   8          2HB       ALA   8  -1.164  -0.843   3.673
   53    H    MET   9           HN       MET   9   1.170   2.068   3.227
   54    HA   MET   9           HA       MET   9   2.551   0.525   1.294
   55   1HB   MET   9          2HB       MET   9   3.374   3.372   1.902
   56   2HB   MET   9          3HB       MET   9   3.310   2.511   0.363
   57   1HG   MET   9          2HG       MET   9   0.693   2.655   0.814
   58   2HG   MET   9          3HG       MET   9   1.198   3.967   1.884
   59   1HE   MET   9          2HE       MET   9  -0.071   5.804   0.697
   60   2HE   MET   9          3HE       MET   9   0.043   6.168  -1.039
   61   3HE   MET   9          1HE       MET   9  -0.770   4.675  -0.505
   62    H    ALA  10           HN       ALA  10   3.623   2.340   4.089
   63    HA   ALA  10           HA       ALA  10   6.402   2.259   3.576
   64   1HB   ALA  10          1HB       ALA  10   4.807   2.527   6.175
   65   2HB   ALA  10          2HB       ALA  10   6.499   3.019   5.969
   66   3HB   ALA  10          3HB       ALA  10   5.208   3.858   5.082
   67    H    SER  11           HN       SER  11   4.182   0.007   5.002
   68    HA   SER  11           HA       SER  11   6.302  -1.657   6.221
   69   1HB   SER  11          2HB       SER  11   4.234  -1.086   7.427
   70   2HB   SER  11          3HB       SER  11   3.277  -1.963   6.233
   71    HG   SER  11           HG       SER  11   3.897  -3.794   7.150
   72    H    CYS  12           HN       CYS  12   5.017  -1.387   3.076
   73    HA   CYS  12           HA       CYS  12   5.018  -2.659   1.313
   74   1HB   CYS  12          2HB       CYS  12   7.467  -3.069   1.897
   75   2HB   CYS  12          3HB       CYS  12   6.942  -4.684   2.443
   76    H    GLU  13           HN       GLU  13   2.862  -3.127   3.017
   77    HA   GLU  13           HA       GLU  13   2.274  -6.024   2.440
   78   1HB   GLU  13          2HB       GLU  13   0.566  -5.606   4.371
   79   2HB   GLU  13          3HB       GLU  13   2.215  -6.157   4.630
   80   1HG   GLU  13          2HG       GLU  13   2.938  -3.877   5.167
   81   2HG   GLU  13          3HG       GLU  13   1.262  -3.297   4.983
   82    H    HIS  14           HN       HIS  14   1.693  -5.527   0.345
   83    HA   HIS  14           HA       HIS  14  -0.509  -3.869  -0.457
   84   1HB   HIS  14          2HB       HIS  14  -0.481  -4.998  -2.396
   85   2HB   HIS  14          3HB       HIS  14   1.139  -5.399  -1.856
   86    HD1  HIS  14           HD1      HIS  14  -2.433  -6.949  -1.967
   87    HD2  HIS  14           HD2      HIS  14   1.601  -7.924  -1.455
   88    HE1  HIS  14           HE1      HIS  14  -2.347  -9.470  -1.669
   89    H    THR  15           HN       THR  15  -0.260  -6.827   1.427
   90    HA   THR  15           HA       THR  15  -2.820  -7.747   1.049
   91    HB   THR  15           HB       THR  15  -2.339  -8.885   3.323
   92    HG1  THR  15          1HG       THR  15  -1.087  -7.218   4.255
   93   1HG2  THR  15          1HG2      THR  15  -1.448  -9.715   1.072
   94   2HG2  THR  15          2HG2      THR  15   0.051  -8.833   1.399
   95   3HG2  THR  15          3HG2      THR  15  -0.436 -10.155   2.467
   96    H    MET  16           HN       MET  16  -1.485  -5.272   3.300
   97    HA   MET  16           HA       MET  16  -4.104  -4.745   4.478
   98   1HB   MET  16          2HB       MET  16  -1.232  -4.456   5.174
   99   2HB   MET  16          3HB       MET  16  -2.259  -3.176   5.707
  100   1HG   MET  16          2HG       MET  16  -2.137  -4.730   7.448
  101   2HG   MET  16          3HG       MET  16  -3.774  -4.857   6.813
  102   1HE   MET  16          3HE       MET  16  -4.420  -6.981   5.072
  103   2HE   MET  16          1HE       MET  16  -4.110  -8.508   5.924
  104   3HE   MET  16          2HE       MET  16  -4.833  -7.137   6.791
  105    H    CYS  17           HN       CYS  17  -3.075  -3.923   1.558
  106    HA   CYS  17           HA       CYS  17  -2.895  -1.092   1.570
  107   1HB   CYS  17          2HB       CYS  17  -3.542  -3.221  -0.421
  108   2HB   CYS  17          3HB       CYS  17  -4.314  -1.716  -0.687
  109    H    GLY  18           HN       GLY  18  -5.513  -3.085   2.625
  110   1HA   GLY  18          1HA       GLY  18  -7.793  -1.747   1.673
  111   2HA   GLY  18          2HA       GLY  18  -7.627  -2.685   3.161
  112    OH   TYR  19           OH       TYR  19  -5.559  -2.223  10.407
  113    H    TYR  19           HN       TYR  19  -5.414  -0.804   4.158
  114    HA   TYR  19           HA       TYR  19  -7.135   1.070   5.545
  115   1HB   TYR  19          2HB       TYR  19  -4.116   0.821   5.226
  116   2HB   TYR  19          3HB       TYR  19  -4.883   2.117   6.131
  117    HD1  TYR  19           HD2      TYR  19  -6.482   1.545   8.044
  118    HD2  TYR  19           HD1      TYR  19  -3.741  -1.308   6.353
  119    HE1  TYR  19           HE2      TYR  19  -6.766   0.094  10.026
  120    HE2  TYR  19           HE1      TYR  19  -4.121  -2.815   8.278
  121    HH   TYR  19           HH       TYR  19  -4.756  -2.190  10.947
  122    H    CYS  20           HN       CYS  20  -5.219   1.154   2.568
  123    HA   CYS  20           HA       CYS  20  -5.682   4.033   2.067
  124   1HB   CYS  20          2HB       CYS  20  -4.580   1.852   0.260
  125   2HB   CYS  20          3HB       CYS  20  -4.613   3.567  -0.027
  126    H    GLN  21           HN       GLN  21  -6.785   4.514  -0.138
  127    HA   GLN  21           HA       GLN  21  -8.842   2.596  -0.910
  128   1HB   GLN  21          2HB       GLN  21 -10.621   4.462  -0.572
  129   2HB   GLN  21          3HB       GLN  21 -10.111   3.562   0.861
  130   1HG   GLN  21          2HG       GLN  21  -8.738   5.336   1.655
  131   2HG   GLN  21          3HG       GLN  21  -8.774   6.185   0.099
  132   1HE2  GLN  21          2HE2      GLN  21 -12.044   6.504   2.606
  133   2HE2  GLN  21          1HE2      GLN  21 -11.008   5.092   2.729
  134    H    GLY  22           HN       GLY  22 -10.014   3.320  -2.842
  135   1HA   GLY  22          1HA       GLY  22  -9.678   3.754  -5.052
  136   2HA   GLY  22          2HA       GLY  22  -9.899   5.391  -4.453
  137    HA   PRO  23           HA       PRO  23  -6.057   5.922  -6.680
  138   1HB   PRO  23          2HB       PRO  23  -5.247   8.396  -5.829
  139   2HB   PRO  23          3HB       PRO  23  -6.640   8.147  -6.914
  140   1HG   PRO  23          2HG       PRO  23  -6.687   8.563  -3.916
  141   2HG   PRO  23          3HG       PRO  23  -7.700   9.352  -5.158
  142   1HD   PRO  23          2HD       PRO  23  -8.565   7.191  -3.707
  143   2HD   PRO  23          3HD       PRO  23  -9.034   7.398  -5.413
  144    H    LEU  24           HN       LEU  24  -6.189   6.418  -3.159
  145    HA   LEU  24           HA       LEU  24  -3.364   5.994  -2.805
  146   1HB   LEU  24          2HB       LEU  24  -5.742   6.231  -0.948
  147   2HB   LEU  24          3HB       LEU  24  -4.187   5.626  -0.382
  148    HG   LEU  24           HG       LEU  24  -4.640   8.325  -1.625
  149   1HD1  LEU  24          1HD1      LEU  24  -5.344   7.777   0.792
  150   2HD1  LEU  24          2HD1      LEU  24  -3.617   7.543   1.123
  151   3HD1  LEU  24          3HD1      LEU  24  -4.199   9.132   0.570
  152   1HD2  LEU  24          3HD2      LEU  24  -2.132   6.844  -0.818
  153   2HD2  LEU  24          1HD2      LEU  24  -2.416   7.823  -2.287
  154   3HD2  LEU  24          2HD2      LEU  24  -2.211   8.610  -0.713
  155    OH   TYR  25           OH       TYR  25  -6.012  -4.275  -2.689
  156    H    TYR  25           HN       TYR  25  -6.213   3.897  -2.945
  157    HA   TYR  25           HA       TYR  25  -4.914   1.514  -1.859
  158   1HB   TYR  25          2HB       TYR  25  -7.350   1.690  -2.126
  159   2HB   TYR  25          3HB       TYR  25  -7.177   1.668  -3.877
  160    HD1  TYR  25           HD2      TYR  25  -6.342  -0.400  -5.012
  161    HD2  TYR  25           HD1      TYR  25  -7.001  -0.276  -0.760
  162    HE1  TYR  25           HE2      TYR  25  -6.092  -2.849  -4.906
  163    HE2  TYR  25           HE1      TYR  25  -6.744  -2.736  -0.649
  164    HH   TYR  25           HH       TYR  25  -6.000  -4.631  -1.787
  165    H    MET  26           HN       MET  26  -5.497   2.752  -5.205
  166    HA   MET  26           HA       MET  26  -3.909   0.755  -6.432
  167   1HB   MET  26          2HB       MET  26  -4.704   3.602  -7.243
  168   2HB   MET  26          3HB       MET  26  -3.919   2.434  -8.290
  169   1HG   MET  26          2HG       MET  26  -5.990   0.891  -7.333
  170   2HG   MET  26          3HG       MET  26  -6.734   2.472  -7.265
  171   1HE   MET  26          3HE       MET  26  -5.263  -0.402  -9.312
  172   2HE   MET  26          1HE       MET  26  -5.256   0.188 -10.991
  173   3HE   MET  26          2HE       MET  26  -4.134   0.868  -9.814
  174    H    THR  27           HN       THR  27  -3.032   3.964  -5.101
  175    HA   THR  27           HA       THR  27  -0.404   3.794  -6.059
  176    HB   THR  27           HB       THR  27  -1.732   5.398  -3.908
  177    HG1  THR  27          1HG       THR  27  -1.929   6.009  -6.119
  178   1HG2  THR  27          2HG2      THR  27   1.207   5.615  -4.631
  179   2HG2  THR  27          3HG2      THR  27   0.301   6.772  -3.644
  180   3HG2  THR  27          1HG2      THR  27   0.572   5.127  -3.053
  181    H    CYS  28           HN       CYS  28  -1.630   2.935  -2.793
  182    HA   CYS  28           HA       CYS  28   0.877   2.021  -1.851
  183   1HB   CYS  28          2HB       CYS  28  -0.329   0.921  -0.112
  184   2HB   CYS  28          3HB       CYS  28  -1.145   2.449  -0.525
  185    H    ILE  29           HN       ILE  29  -1.573   0.433  -4.025
  186    HA   ILE  29           HA       ILE  29  -0.398  -2.066  -3.605
  187    HB   ILE  29           HB       ILE  29  -2.195  -0.960  -5.782
  188   1HG1  ILE  29          2HG1      ILE  29  -3.289  -1.562  -3.636
  189   2HG1  ILE  29          3HG1      ILE  29  -3.797  -2.562  -4.985
  190   1HG2  ILE  29          3HG2      ILE  29  -0.798  -3.633  -5.702
  191   2HG2  ILE  29          1HG2      ILE  29  -2.313  -3.374  -6.595
  192   3HG2  ILE  29          2HG2      ILE  29  -0.861  -2.452  -7.025
  193   1HD1  ILE  29          3HD1      ILE  29  -2.328  -4.399  -4.192
  194   2HD1  ILE  29          1HD1      ILE  29  -1.781  -3.384  -2.857
  195   3HD1  ILE  29          2HD1      ILE  29  -3.455  -3.872  -2.921
  196    H    GLY  30           HN       GLY  30  -0.171   0.321  -6.076
  197   1HA   GLY  30          1HA       GLY  30   1.665  -0.545  -7.833
  198   2HA   GLY  30          2HA       GLY  30   1.569   1.139  -7.299
  199    H    ILE  31           HN       ILE  31   2.371   0.702  -4.595
  200    HA   ILE  31           HA       ILE  31   5.304   0.386  -4.907
  201    HB   ILE  31           HB       ILE  31   3.345   1.297  -2.746
  202   1HG1  ILE  31          2HG1      ILE  31   5.896   2.688  -3.518
  203   2HG1  ILE  31          3HG1      ILE  31   4.595   2.694  -4.720
  204   1HG2  ILE  31          3HG2      ILE  31   6.315   0.714  -2.327
  205   2HG2  ILE  31          1HG2      ILE  31   5.304   1.678  -1.230
  206   3HG2  ILE  31          2HG2      ILE  31   4.970  -0.024  -1.450
  207   1HD1  ILE  31          3HD1      ILE  31   4.183   3.579  -1.842
  208   2HD1  ILE  31          1HD1      ILE  31   4.587   4.664  -3.186
  209   3HD1  ILE  31          2HD1      ILE  31   3.058   3.755  -3.203
  210    H    THR  32           HN       THR  32   2.811  -1.040  -2.767
  211    HA   THR  32           HA       THR  32   4.719  -2.758  -1.636
  212    HB   THR  32           HB       THR  32   2.835  -3.770  -0.454
  213    HG1  THR  32          1HG       THR  32   1.347  -2.014  -2.114
  214   1HG2  THR  32          1HG2      THR  32   4.023  -1.425  -0.024
  215   2HG2  THR  32          2HG2      THR  32   2.495  -0.754  -0.538
  216   3HG2  THR  32          3HG2      THR  32   2.566  -1.833   0.881
  217    H    THR  33           HN       THR  33   2.828  -3.315  -4.477
  218    HA   THR  33           HA       THR  33   3.509  -6.206  -4.422
  219    HB   THR  33           HB       THR  33   2.112  -6.461  -6.285
  220    HG1  THR  33          1HG       THR  33   1.866  -3.613  -6.186
  221   1HG2  THR  33          2HG2      THR  33   1.097  -6.363  -4.076
  222   2HG2  THR  33          3HG2      THR  33   0.734  -4.638  -4.306
  223   3HG2  THR  33          1HG2      THR  33  -0.012  -5.861  -5.361
  224    H    ASP  34           HN       ASP  34   5.082  -3.262  -5.284
  225    HA   ASP  34           HA       ASP  34   6.119  -4.220  -7.812
  226   1HB   ASP  34          2HB       ASP  34   6.064  -1.712  -6.441
  227   2HB   ASP  34          3HB       ASP  34   7.753  -2.135  -6.497
  228    HA   PRO  35           HA       PRO  35   9.343  -6.687  -6.034
  229   1HB   PRO  35          2HB       PRO  35  11.309  -6.682  -7.929
  230   2HB   PRO  35          3HB       PRO  35   9.729  -7.485  -8.169
  231   1HG   PRO  35          2HG       PRO  35  10.629  -4.789  -9.185
  232   2HG   PRO  35          3HG       PRO  35   9.718  -6.055 -10.060
  233   1HD   PRO  35          2HD       PRO  35   8.597  -3.844  -8.839
  234   2HD   PRO  35          3HD       PRO  35   7.689  -5.365  -9.084
  235    H    GLU  36           HN       GLU  36   9.891  -3.348  -6.874
  236    HA   GLU  36           HA       GLU  36  12.472  -3.030  -5.727
  237   1HB   GLU  36          2HB       GLU  36  11.313  -1.684  -7.595
  238   2HB   GLU  36          3HB       GLU  36  10.251  -1.021  -6.343
  239   1HG   GLU  36          2HG       GLU  36  12.279  -0.025  -5.239
  240   2HG   GLU  36          3HG       GLU  36  13.269  -0.786  -6.493
  241    H    CYS  37           HN       CYS  37   9.525  -3.467  -4.345
  242    HA   CYS  37           HA       CYS  37   8.907  -1.396  -2.750
  243   1HB   CYS  37          2HB       CYS  37   7.509  -3.469  -2.977
  244   2HB   CYS  37          3HB       CYS  37   8.559  -4.237  -1.758
  245    H    GLY  38           HN       GLY  38  10.712  -0.357  -1.858
  246   1HA   GLY  38          1HA       GLY  38  12.284   0.172  -0.317
  247   2HA   GLY  38          2HA       GLY  38  11.325  -0.778   0.844
  248    H    LEU  39           HN       LEU  39  13.067  -1.761  -2.121
  249    HA   LEU  39           HA       LEU  39  13.999  -4.139  -1.004
  250   1HB   LEU  39          2HB       LEU  39  13.611  -3.459  -3.418
  251   2HB   LEU  39          3HB       LEU  39  15.210  -2.728  -3.416
  252    HG   LEU  39           HG       LEU  39  14.904  -4.947  -4.473
  253   1HD1  LEU  39          1HD1      LEU  39  17.001  -4.750  -2.337
  254   2HD1  LEU  39          2HD1      LEU  39  16.963  -6.017  -3.579
  255   3HD1  LEU  39          3HD1      LEU  39  17.100  -4.310  -4.033
  256   1HD2  LEU  39          1HD2      LEU  39  13.290  -5.967  -3.032
  257   2HD2  LEU  39          2HD2      LEU  39  14.695  -7.005  -3.301
  258   3HD2  LEU  39          3HD2      LEU  39  14.489  -6.182  -1.757
  259    HA   PRO  40           HA       PRO  40  17.181  -2.263   1.410
  260   1HB   PRO  40          2HB       PRO  40  18.501  -4.440   2.431
  261   2HB   PRO  40          3HB       PRO  40  16.816  -4.028   2.866
  262   1HG   PRO  40          2HG       PRO  40  17.845  -6.038   0.885
  263   2HG   PRO  40          3HG       PRO  40  16.521  -6.262   2.062
  264   1HD   PRO  40          2HD       PRO  40  16.202  -5.652  -0.593
  265   2HD   PRO  40          3HD       PRO  40  14.988  -5.165   0.603
   
  Start of MODEL          19
 Raw file had  265 H/Q atoms
  Start of MODEL   19
    1   1H    ASP   1          1HN       ASP   1  -9.426   0.634  14.382
    2   2H    ASP   1          2HN       ASP   1  -9.727   2.185  14.111
    3   3H    ASP   1          3HN       ASP   1 -10.899   1.039  13.734
    4    HA   ASP   1           HA       ASP   1  -9.673   0.151  12.017
    5   1HB   ASP   1          2HB       ASP   1 -10.888   2.222  11.392
    6   2HB   ASP   1          3HB       ASP   1  -9.434   3.172  11.778
    7    HA   PRO   2           HA       PRO   2  -5.533   0.467  13.774
    8   1HB   PRO   2          2HB       PRO   2  -4.422  -1.859  12.843
    9   2HB   PRO   2          3HB       PRO   2  -5.634  -1.790  14.148
   10   1HG   PRO   2          2HG       PRO   2  -6.081  -2.399  11.225
   11   2HG   PRO   2          3HG       PRO   2  -6.738  -3.277  12.631
   12   1HD   PRO   2          2HD       PRO   2  -8.145  -1.359  11.233
   13   2HD   PRO   2          3HD       PRO   2  -8.390  -1.617  12.987
   14    H    MET   3           HN       MET   3  -3.318   0.648  12.985
   15    HA   MET   3           HA       MET   3  -1.706   1.452  11.569
   16   1HB   MET   3          2HB       MET   3  -2.712  -0.878  10.589
   17   2HB   MET   3          3HB       MET   3  -3.082   0.204   9.254
   18   1HG   MET   3          2HG       MET   3  -0.930   0.183   8.568
   19   2HG   MET   3          3HG       MET   3  -0.311   0.481  10.212
   20   1HE   MET   3          2HE       MET   3   1.871  -1.032   9.753
   21   2HE   MET   3          3HE       MET   3   1.762  -2.705   9.188
   22   3HE   MET   3          1HE       MET   3   1.299  -1.392   8.098
   23    H    THR   4           HN       THR   4  -1.596   2.319   9.063
   24    HA   THR   4           HA       THR   4  -3.677   4.276   8.438
   25    HB   THR   4           HB       THR   4  -2.006   6.015   8.287
   26    HG1  THR   4          1HG       THR   4   0.129   5.667   8.805
   27   1HG2  THR   4          1HG2      THR   4  -2.887   5.477  10.575
   28   2HG2  THR   4          2HG2      THR   4  -1.413   4.507  10.841
   29   3HG2  THR   4          3HG2      THR   4  -1.279   6.256  10.567
   30    H    CYS   5           HN       CYS   5  -3.345   5.061   6.205
   31    HA   CYS   5           HA       CYS   5  -2.840   2.926   4.313
   32   1HB   CYS   5          2HB       CYS   5  -4.348   4.646   3.693
   33   2HB   CYS   5          3HB       CYS   5  -3.196   5.944   4.072
   34    H    GLU   6           HN       GLU   6  -1.080   5.731   5.516
   35    HA   GLU   6           HA       GLU   6   1.279   5.532   3.950
   36   1HB   GLU   6          2HB       GLU   6   0.812   7.411   5.339
   37   2HB   GLU   6          3HB       GLU   6   0.847   6.435   6.820
   38   1HG   GLU   6          2HG       GLU   6   3.238   6.211   6.650
   39   2HG   GLU   6          3HG       GLU   6   3.246   6.818   4.992
   40    H    GLN   7           HN       GLN   7   0.517   4.061   7.176
   41    HA   GLN   7           HA       GLN   7   2.870   2.504   7.321
   42   1HB   GLN   7          2HB       GLN   7   0.177   2.313   8.650
   43   2HB   GLN   7          3HB       GLN   7   1.269   0.926   8.631
   44   1HG   GLN   7          2HG       GLN   7   1.487   2.178  10.662
   45   2HG   GLN   7          3HG       GLN   7   2.996   2.095   9.753
   46   1HE2  GLN   7          2HE2      GLN   7   3.148   5.650   9.129
   47   2HE2  GLN   7          1HE2      GLN   7   3.359   4.162   8.262
   48    H    ALA   8           HN       ALA   8  -0.317   1.500   5.856
   49    HA   ALA   8           HA       ALA   8   0.442  -1.071   5.094
   50   1HB   ALA   8          2HB       ALA   8  -1.784  -0.006   4.537
   51   2HB   ALA   8          3HB       ALA   8  -1.008   0.864   3.215
   52   3HB   ALA   8          1HB       ALA   8  -1.054  -0.904   3.202
   53    H    MET   9           HN       MET   9   1.118   1.925   3.329
   54    HA   MET   9           HA       MET   9   2.504   0.675   1.173
   55   1HB   MET   9          2HB       MET   9   1.173   2.776   1.184
   56   2HB   MET   9          3HB       MET   9   2.438   3.560   2.162
   57   1HG   MET   9          2HG       MET   9   4.010   3.266   0.249
   58   2HG   MET   9          3HG       MET   9   2.680   2.602  -0.701
   59   1HE   MET   9          1HE       MET   9   0.328   4.101  -0.926
   60   2HE   MET   9          2HE       MET   9   0.349   4.829   0.696
   61   3HE   MET   9          3HE       MET   9   0.292   5.861  -0.749
   62    H    ALA  10           HN       ALA  10   3.560   2.491   3.941
   63    HA   ALA  10           HA       ALA  10   6.370   2.560   3.462
   64   1HB   ALA  10          2HB       ALA  10   4.669   2.798   5.990
   65   2HB   ALA  10          3HB       ALA  10   6.358   3.283   5.877
   66   3HB   ALA  10          1HB       ALA  10   5.120   4.133   4.928
   67    H    SER  11           HN       SER  11   4.168   0.241   4.878
   68    HA   SER  11           HA       SER  11   6.323  -1.511   5.906
   69   1HB   SER  11          2HB       SER  11   3.288  -1.799   5.985
   70   2HB   SER  11          3HB       SER  11   4.457  -2.928   6.681
   71    HG   SER  11           HG       SER  11   5.239  -1.278   8.004
   72    H    CYS  12           HN       CYS  12   4.244  -1.054   3.004
   73    HA   CYS  12           HA       CYS  12   4.620  -1.860   1.016
   74   1HB   CYS  12          2HB       CYS  12   7.046  -1.667   1.578
   75   2HB   CYS  12          3HB       CYS  12   7.080  -3.418   1.906
   76    H    GLU  13           HN       GLU  13   2.837  -3.109   2.881
   77    HA   GLU  13           HA       GLU  13   2.801  -5.975   1.994
   78   1HB   GLU  13          2HB       GLU  13   1.079  -6.042   3.964
   79   2HB   GLU  13          3HB       GLU  13   2.802  -6.200   4.279
   80   1HG   GLU  13          2HG       GLU  13   2.994  -3.962   5.077
   81   2HG   GLU  13          3HG       GLU  13   1.363  -3.533   4.511
   82    H    HIS  14           HN       HIS  14   1.685  -5.840   0.073
   83    HA   HIS  14           HA       HIS  14  -0.368  -3.953  -0.535
   84   1HB   HIS  14          2HB       HIS  14  -0.529  -4.957  -2.481
   85   2HB   HIS  14          3HB       HIS  14   0.987  -5.711  -2.008
   86    HD1  HIS  14           HD1      HIS  14  -2.827  -6.409  -2.241
   87    HD2  HIS  14           HD2      HIS  14   0.842  -8.387  -1.611
   88    HE1  HIS  14           HE1      HIS  14  -3.374  -8.853  -1.825
   89    H    THR  15           HN       THR  15  -0.426  -6.933   1.313
   90    HA   THR  15           HA       THR  15  -3.160  -7.510   1.033
   91    HB   THR  15           HB       THR  15  -2.670  -8.799   3.199
   92    HG1  THR  15          1HG       THR  15  -1.102  -7.513   4.200
   93   1HG2  THR  15          2HG2      THR  15  -0.541  -8.966   0.996
   94   2HG2  THR  15          3HG2      THR  15  -0.876 -10.189   2.218
   95   3HG2  THR  15          1HG2      THR  15  -2.116  -9.781   1.002
   96    H    MET  16           HN       MET  16  -1.400  -5.226   3.160
   97    HA   MET  16           HA       MET  16  -3.862  -4.572   4.632
   98   1HB   MET  16          2HB       MET  16  -0.934  -4.439   5.023
   99   2HB   MET  16          3HB       MET  16  -1.789  -3.022   5.556
  100   1HG   MET  16          2HG       MET  16  -1.671  -4.432   7.382
  101   2HG   MET  16          3HG       MET  16  -3.354  -4.546   6.883
  102   1HE   MET  16          2HE       MET  16  -4.538  -6.750   6.834
  103   2HE   MET  16          3HE       MET  16  -4.012  -6.865   5.145
  104   3HE   MET  16          1HE       MET  16  -3.825  -8.258   6.224
  105    H    CYS  17           HN       CYS  17  -2.938  -3.741   1.586
  106    HA   CYS  17           HA       CYS  17  -2.935  -0.925   1.612
  107   1HB   CYS  17          2HB       CYS  17  -3.638  -3.102  -0.359
  108   2HB   CYS  17          3HB       CYS  17  -4.239  -1.536  -0.631
  109    H    GLY  18           HN       GLY  18  -5.395  -3.057   2.731
  110   1HA   GLY  18          1HA       GLY  18  -7.762  -1.866   1.889
  111   2HA   GLY  18          2HA       GLY  18  -7.513  -2.669   3.440
  112    OH   TYR  19           OH       TYR  19  -4.645  -3.333   9.099
  113    H    TYR  19           HN       TYR  19  -5.350  -0.673   4.237
  114    HA   TYR  19           HA       TYR  19  -7.073   1.244   5.536
  115   1HB   TYR  19          2HB       TYR  19  -4.073   1.208   5.112
  116   2HB   TYR  19          3HB       TYR  19  -4.938   2.212   6.288
  117    HD1  TYR  19           HD2      TYR  19  -6.769   0.432   7.674
  118    HD2  TYR  19           HD1      TYR  19  -2.722  -0.272   6.389
  119    HE1  TYR  19           HE2      TYR  19  -6.697  -1.633   9.006
  120    HE2  TYR  19           HE1      TYR  19  -2.629  -2.300   7.756
  121    HH   TYR  19           HH       TYR  19  -5.549  -3.670   9.189
  122    H    CYS  20           HN       CYS  20  -5.256   1.184   2.525
  123    HA   CYS  20           HA       CYS  20  -5.661   4.045   1.948
  124   1HB   CYS  20          2HB       CYS  20  -4.513   1.850   0.200
  125   2HB   CYS  20          3HB       CYS  20  -4.527   3.572  -0.092
  126    H    GLN  21           HN       GLN  21  -6.993   4.707   0.152
  127    HA   GLN  21           HA       GLN  21  -8.869   2.714  -0.936
  128   1HB   GLN  21          2HB       GLN  21  -9.960   5.283   0.219
  129   2HB   GLN  21          3HB       GLN  21 -10.819   3.793  -0.167
  130   1HG   GLN  21          2HG       GLN  21  -9.927   2.710   1.834
  131   2HG   GLN  21          3HG       GLN  21  -8.864   4.089   2.177
  132   1HE2  GLN  21          2HE2      GLN  21 -12.855   4.640   2.903
  133   2HE2  GLN  21          1HE2      GLN  21 -12.377   3.263   1.912
  134    H    GLY  22           HN       GLY  22 -10.406   4.005  -2.523
  135   1HA   GLY  22          1HA       GLY  22 -10.459   4.955  -4.593
  136   2HA   GLY  22          2HA       GLY  22  -9.978   6.371  -3.688
  137    HA   PRO  23           HA       PRO  23  -6.511   5.906  -6.660
  138   1HB   PRO  23          2HB       PRO  23  -5.032   8.132  -5.905
  139   2HB   PRO  23          3HB       PRO  23  -6.493   8.232  -6.927
  140   1HG   PRO  23          2HG       PRO  23  -6.316   8.576  -3.913
  141   2HG   PRO  23          3HG       PRO  23  -7.080   9.684  -5.065
  142   1HD   PRO  23          2HD       PRO  23  -8.554   7.937  -3.752
  143   2HD   PRO  23          3HD       PRO  23  -8.854   8.133  -5.495
  144    H    LEU  24           HN       LEU  24  -6.130   6.640  -3.200
  145    HA   LEU  24           HA       LEU  24  -3.404   5.983  -3.050
  146   1HB   LEU  24          2HB       LEU  24  -5.612   6.255  -0.998
  147   2HB   LEU  24          3HB       LEU  24  -4.036   5.622  -0.533
  148    HG   LEU  24           HG       LEU  24  -4.405   8.290  -1.905
  149   1HD1  LEU  24          2HD1      LEU  24  -5.368   8.164   0.371
  150   2HD1  LEU  24          3HD1      LEU  24  -3.820   7.529   0.980
  151   3HD1  LEU  24          1HD1      LEU  24  -3.913   9.184   0.320
  152   1HD2  LEU  24          1HD2      LEU  24  -2.020   6.705  -0.867
  153   2HD2  LEU  24          2HD2      LEU  24  -2.166   7.634  -2.384
  154   3HD2  LEU  24          3HD2      LEU  24  -2.005   8.471  -0.838
  155    OH   TYR  25           OH       TYR  25  -6.485  -4.246  -3.077
  156    H    TYR  25           HN       TYR  25  -6.268   3.924  -2.922
  157    HA   TYR  25           HA       TYR  25  -4.989   1.543  -1.940
  158   1HB   TYR  25          2HB       TYR  25  -7.436   1.772  -2.287
  159   2HB   TYR  25          3HB       TYR  25  -7.192   1.800  -4.032
  160    HD1  TYR  25           HD2      TYR  25  -6.612  -0.253  -0.949
  161    HD2  TYR  25           HD1      TYR  25  -7.157  -0.275  -5.215
  162    HE1  TYR  25           HE2      TYR  25  -6.438  -2.731  -0.966
  163    HE2  TYR  25           HE1      TYR  25  -6.881  -2.744  -5.244
  164    HH   TYR  25           HH       TYR  25  -6.578  -4.667  -3.944
  165    H    MET  26           HN       MET  26  -5.411   2.730  -5.390
  166    HA   MET  26           HA       MET  26  -3.808   0.555  -6.313
  167   1HB   MET  26          2HB       MET  26  -4.813   3.120  -7.591
  168   2HB   MET  26          3HB       MET  26  -3.977   1.818  -8.435
  169   1HG   MET  26          2HG       MET  26  -6.602   1.572  -6.908
  170   2HG   MET  26          3HG       MET  26  -6.423   1.526  -8.645
  171   1HE   MET  26          1HE       MET  26  -5.282  -0.478 -10.013
  172   2HE   MET  26          2HE       MET  26  -3.841  -0.494  -8.951
  173   3HE   MET  26          3HE       MET  26  -4.771  -1.981  -9.211
  174    H    THR  27           HN       THR  27  -3.021   3.874  -5.264
  175    HA   THR  27           HA       THR  27  -0.325   3.742  -6.178
  176    HB   THR  27           HB       THR  27  -1.642   5.253  -3.955
  177    HG1  THR  27          1HG       THR  27  -1.790   6.130  -6.080
  178   1HG2  THR  27          2HG2      THR  27   0.694   4.762  -3.128
  179   2HG2  THR  27          3HG2      THR  27   1.326   5.416  -4.645
  180   3HG2  THR  27          1HG2      THR  27   0.467   6.442  -3.476
  181    H    CYS  28           HN       CYS  28  -1.654   2.889  -2.949
  182    HA   CYS  28           HA       CYS  28   0.845   2.022  -1.973
  183   1HB   CYS  28          2HB       CYS  28  -0.348   1.115  -0.131
  184   2HB   CYS  28          3HB       CYS  28  -1.261   2.529  -0.708
  185    H    ILE  29           HN       ILE  29  -1.551   0.430  -4.110
  186    HA   ILE  29           HA       ILE  29  -0.449  -2.106  -3.719
  187    HB   ILE  29           HB       ILE  29  -2.137  -0.960  -5.937
  188   1HG1  ILE  29          2HG1      ILE  29  -3.199  -1.480  -3.688
  189   2HG1  ILE  29          3HG1      ILE  29  -3.874  -2.349  -5.054
  190   1HG2  ILE  29          1HG2      ILE  29  -0.843  -3.675  -5.720
  191   2HG2  ILE  29          2HG2      ILE  29  -2.310  -3.403  -6.688
  192   3HG2  ILE  29          3HG2      ILE  29  -0.805  -2.555  -7.084
  193   1HD1  ILE  29          1HD1      ILE  29  -2.456  -4.355  -4.350
  194   2HD1  ILE  29          2HD1      ILE  29  -1.917  -3.397  -2.965
  195   3HD1  ILE  29          3HD1      ILE  29  -3.617  -3.809  -3.119
  196    H    GLY  30           HN       GLY  30  -0.065   0.242  -6.324
  197   1HA   GLY  30          1HA       GLY  30   1.904  -0.833  -7.904
  198   2HA   GLY  30          2HA       GLY  30   1.760   0.898  -7.537
  199    H    ILE  31           HN       ILE  31   2.379   0.647  -4.706
  200    HA   ILE  31           HA       ILE  31   5.338   0.340  -4.854
  201    HB   ILE  31           HB       ILE  31   3.292   1.473  -2.909
  202   1HG1  ILE  31          2HG1      ILE  31   5.929   2.670  -3.875
  203   2HG1  ILE  31          3HG1      ILE  31   4.482   2.686  -4.897
  204   1HG2  ILE  31          1HG2      ILE  31   6.185   0.827  -2.197
  205   2HG2  ILE  31          2HG2      ILE  31   5.166   1.953  -1.295
  206   3HG2  ILE  31          3HG2      ILE  31   4.725   0.263  -1.359
  207   1HD1  ILE  31          1HD1      ILE  31   3.200   3.831  -3.118
  208   2HD1  ILE  31          2HD1      ILE  31   4.694   3.962  -2.153
  209   3HD1  ILE  31          3HD1      ILE  31   4.573   4.766  -3.722
  210    H    THR  32           HN       THR  32   2.747  -0.946  -2.763
  211    HA   THR  32           HA       THR  32   4.423  -2.575  -1.336
  212    HB   THR  32           HB       THR  32   2.480  -3.804  -0.626
  213    HG1  THR  32          1HG       THR  32   1.215  -2.139  -2.542
  214   1HG2  THR  32          2HG2      THR  32   2.944  -0.922  -0.406
  215   2HG2  THR  32          3HG2      THR  32   1.224  -1.312  -0.176
  216   3HG2  THR  32          1HG2      THR  32   2.435  -2.070   0.830
  217    H    THR  33           HN       THR  33   2.580  -3.422  -4.231
  218    HA   THR  33           HA       THR  33   3.409  -6.194  -4.152
  219    HB   THR  33           HB       THR  33   2.138  -6.491  -6.132
  220    HG1  THR  33          1HG       THR  33   1.986  -3.645  -6.218
  221   1HG2  THR  33          1HG2      THR  33   0.975  -6.396  -4.108
  222   2HG2  THR  33          2HG2      THR  33   0.726  -4.631  -4.267
  223   3HG2  THR  33          3HG2      THR  33  -0.013  -5.762  -5.412
  224    H    ASP  34           HN       ASP  34   5.114  -3.328  -4.909
  225    HA   ASP  34           HA       ASP  34   6.417  -4.188  -7.303
  226   1HB   ASP  34          2HB       ASP  34   6.147  -1.822  -6.378
  227   2HB   ASP  34          3HB       ASP  34   7.501  -2.174  -5.298
  228    HA   PRO  35           HA       PRO  35   9.326  -6.880  -4.986
  229   1HB   PRO  35          2HB       PRO  35  10.947  -7.686  -7.042
  230   2HB   PRO  35          3HB       PRO  35   9.312  -8.340  -6.780
  231   1HG   PRO  35          2HG       PRO  35  10.126  -6.138  -8.689
  232   2HG   PRO  35          3HG       PRO  35   9.090  -7.558  -9.020
  233   1HD   PRO  35          2HD       PRO  35   8.041  -5.134  -8.473
  234   2HD   PRO  35          3HD       PRO  35   7.266  -6.619  -7.884
  235    H    GLU  36           HN       GLU  36   9.967  -3.967  -6.846
  236    HA   GLU  36           HA       GLU  36  12.741  -3.745  -6.032
  237   1HB   GLU  36          2HB       GLU  36  11.477  -2.850  -8.116
  238   2HB   GLU  36          3HB       GLU  36  10.918  -1.529  -7.054
  239   1HG   GLU  36          2HG       GLU  36  13.343  -1.066  -6.530
  240   2HG   GLU  36          3HG       GLU  36  13.750  -2.391  -7.619
  241    H    CYS  37           HN       CYS  37   9.901  -3.380  -4.444
  242    HA   CYS  37           HA       CYS  37   9.907  -0.954  -3.137
  243   1HB   CYS  37          2HB       CYS  37   8.092  -2.622  -2.979
  244   2HB   CYS  37          3HB       CYS  37   9.039  -3.549  -1.788
  245    H    GLY  38           HN       GLY  38  11.899  -0.198  -2.510
  246   1HA   GLY  38          1HA       GLY  38  13.677   0.225  -1.148
  247   2HA   GLY  38          2HA       GLY  38  12.848  -0.666   0.137
  248    H    LEU  39           HN       LEU  39  13.651  -2.166  -2.978
  249    HA   LEU  39           HA       LEU  39  14.933  -4.251  -1.501
  250   1HB   LEU  39          2HB       LEU  39  13.242  -4.492  -3.303
  251   2HB   LEU  39          3HB       LEU  39  14.532  -4.214  -4.479
  252    HG   LEU  39           HG       LEU  39  13.915  -6.574  -3.997
  253   1HD1  LEU  39          1HD1      LEU  39  16.121  -6.059  -4.938
  254   2HD1  LEU  39          2HD1      LEU  39  16.792  -5.994  -3.297
  255   3HD1  LEU  39          3HD1      LEU  39  16.141  -7.510  -3.917
  256   1HD2  LEU  39          3HD2      LEU  39  13.483  -6.287  -1.563
  257   2HD2  LEU  39          1HD2      LEU  39  14.338  -7.750  -2.059
  258   3HD2  LEU  39          2HD2      LEU  39  15.236  -6.434  -1.301
  259    HA   PRO  40           HA       PRO  40  18.850  -2.169  -2.316
  260   1HB   PRO  40          2HB       PRO  40  20.246  -4.545  -1.228
  261   2HB   PRO  40          3HB       PRO  40  20.213  -2.863  -0.605
  262   1HG   PRO  40          2HG       PRO  40  18.940  -4.997   0.596
  263   2HG   PRO  40          3HG       PRO  40  18.324  -3.325   0.703
  264   1HD   PRO  40          2HD       PRO  40  17.426  -5.561  -1.099
  265   2HD   PRO  40          3HD       PRO  40  16.484  -4.346  -0.228
   
  Start of MODEL          20
 Raw file had  265 H/Q atoms
  Start of MODEL   20
    1   1H    ASP   1          3HN       ASP   1  -9.090   4.508  12.545
    2   2H    ASP   1          1HN       ASP   1  -8.936   5.035  11.004
    3   3H    ASP   1          2HN       ASP   1 -10.362   4.313  11.519
    4    HA   ASP   1           HA       ASP   1  -9.324   2.343  11.911
    5   1HB   ASP   1          2HB       ASP   1  -9.029   1.455   9.788
    6   2HB   ASP   1          3HB       ASP   1 -10.183   2.780   9.643
    7    HA   PRO   2           HA       PRO   2  -5.246   2.574  13.411
    8   1HB   PRO   2          2HB       PRO   2  -4.588  -0.043  13.775
    9   2HB   PRO   2          3HB       PRO   2  -5.855   0.765  14.779
   10   1HG   PRO   2          2HG       PRO   2  -6.268  -1.018  12.347
   11   2HG   PRO   2          3HG       PRO   2  -7.137  -1.058  13.892
   12   1HD   PRO   2          2HD       PRO   2  -8.121   0.205  11.680
   13   2HD   PRO   2          3HD       PRO   2  -8.391   0.851  13.329
   14    H    MET   3           HN       MET   3  -3.170   2.610  12.615
   15    HA   MET   3           HA       MET   3  -1.349   2.222  11.353
   16   1HB   MET   3          2HB       MET   3  -1.660  -0.185  11.710
   17   2HB   MET   3          3HB       MET   3  -2.720  -0.265  10.277
   18   1HG   MET   3          2HG       MET   3  -1.032   0.461   8.825
   19   2HG   MET   3          3HG       MET   3   0.115   0.584  10.190
   20   1HE   MET   3          1HE       MET   3   0.114  -1.156   7.268
   21   2HE   MET   3          2HE       MET   3   1.634  -1.181   8.214
   22   3HE   MET   3          3HE       MET   3   0.864  -2.699   7.719
   23    H    THR   4           HN       THR   4  -0.906   3.620   9.752
   24    HA   THR   4           HA       THR   4  -3.120   4.557   8.283
   25    HB   THR   4           HB       THR   4  -1.214   5.986   7.241
   26    HG1  THR   4          1HG       THR   4   0.683   5.845   8.649
   27   1HG2  THR   4          2HG2      THR   4  -1.617   5.950  10.263
   28   2HG2  THR   4          3HG2      THR   4  -0.953   7.313   9.333
   29   3HG2  THR   4          1HG2      THR   4  -2.635   6.809   9.091
   30    H    CYS   5           HN       CYS   5  -3.288   4.943   6.123
   31    HA   CYS   5           HA       CYS   5  -2.797   2.989   4.159
   32   1HB   CYS   5          2HB       CYS   5  -4.299   4.796   3.737
   33   2HB   CYS   5          3HB       CYS   5  -3.063   6.006   4.107
   34    H    GLU   6           HN       GLU   6  -0.762   5.864   5.124
   35    HA   GLU   6           HA       GLU   6   1.472   5.323   3.525
   36   1HB   GLU   6          2HB       GLU   6   1.485   7.292   4.912
   37   2HB   GLU   6          3HB       GLU   6   1.378   6.350   6.413
   38   1HG   GLU   6          2HG       GLU   6   3.699   5.387   5.732
   39   2HG   GLU   6          3HG       GLU   6   3.702   6.615   4.464
   40    H    GLN   7           HN       GLN   7   0.959   4.141   6.927
   41    HA   GLN   7           HA       GLN   7   3.156   2.455   7.085
   42   1HB   GLN   7          2HB       GLN   7   0.431   2.470   8.323
   43   2HB   GLN   7          3HB       GLN   7   1.373   0.994   8.408
   44   1HG   GLN   7          2HG       GLN   7   1.615   2.289  10.381
   45   2HG   GLN   7          3HG       GLN   7   3.156   2.014   9.555
   46   1HE2  GLN   7          2HE2      GLN   7   3.354   5.648   8.632
   47   2HE2  GLN   7          1HE2      GLN   7   3.483   4.123   7.842
   48    H    ALA   8           HN       ALA   8  -0.023   1.502   5.682
   49    HA   ALA   8           HA       ALA   8   0.771  -1.151   5.046
   50   1HB   ALA   8          3HB       ALA   8  -1.544  -0.349   4.849
   51   2HB   ALA   8          1HB       ALA   8  -1.097   0.616   3.422
   52   3HB   ALA   8          2HB       ALA   8  -0.969  -1.161   3.384
   53    H    MET   9           HN       MET   9   1.247   1.846   3.105
   54    HA   MET   9           HA       MET   9   2.603   0.560   0.947
   55   1HB   MET   9          2HB       MET   9   3.187   3.375   2.008
   56   2HB   MET   9          3HB       MET   9   3.514   2.742   0.408
   57   1HG   MET   9          2HG       MET   9   1.298   2.756  -0.171
   58   2HG   MET   9          3HG       MET   9   0.725   3.185   1.441
   59   1HE   MET   9          3HE       MET   9  -0.032   4.635  -1.306
   60   2HE   MET   9          1HE       MET   9  -0.679   5.099   0.276
   61   3HE   MET   9          2HE       MET   9   0.005   6.344  -0.788
   62    H    ALA  10           HN       ALA  10   3.767   2.173   3.753
   63    HA   ALA  10           HA       ALA  10   6.494   2.148   3.201
   64   1HB   ALA  10          1HB       ALA  10   5.171   3.568   4.837
   65   2HB   ALA  10          2HB       ALA  10   5.042   2.150   5.890
   66   3HB   ALA  10          3HB       ALA  10   6.636   2.856   5.555
   67    H    SER  11           HN       SER  11   4.402  -0.279   4.523
   68    HA   SER  11           HA       SER  11   6.754  -1.945   5.391
   69   1HB   SER  11          2HB       SER  11   5.188  -3.384   6.539
   70   2HB   SER  11          3HB       SER  11   5.203  -1.724   7.136
   71    HG   SER  11           HG       SER  11   3.302  -1.348   5.873
   72    H    CYS  12           HN       CYS  12   4.848  -1.570   2.566
   73    HA   CYS  12           HA       CYS  12   4.773  -2.796   0.750
   74   1HB   CYS  12          2HB       CYS  12   6.844  -3.254   0.344
   75   2HB   CYS  12          3HB       CYS  12   7.185  -4.021   1.877
   76    H    GLU  13           HN       GLU  13   3.069  -3.356   3.193
   77    HA   GLU  13           HA       GLU  13   2.326  -6.172   2.739
   78   1HB   GLU  13          2HB       GLU  13   1.238  -4.137   4.704
   79   2HB   GLU  13          3HB       GLU  13   0.867  -5.874   4.651
   80   1HG   GLU  13          2HG       GLU  13   3.639  -4.685   5.137
   81   2HG   GLU  13          3HG       GLU  13   2.563  -5.337   6.369
   82    H    HIS  14           HN       HIS  14   1.569  -5.905   0.517
   83    HA   HIS  14           HA       HIS  14  -0.466  -4.096  -0.279
   84   1HB   HIS  14          2HB       HIS  14  -0.443  -5.047  -2.224
   85   2HB   HIS  14          3HB       HIS  14   0.976  -5.910  -1.622
   86    HD1  HIS  14           HD1      HIS  14  -2.885  -6.474  -2.002
   87    HD2  HIS  14           HD2      HIS  14   0.777  -8.493  -1.705
   88    HE1  HIS  14           HE1      HIS  14  -3.410  -8.963  -2.221
   89    H    THR  15           HN       THR  15  -0.663  -7.188   1.472
   90    HA   THR  15           HA       THR  15  -3.422  -7.515   0.989
   91    HB   THR  15           HB       THR  15  -3.364  -9.139   2.837
   92    HG1  THR  15          1HG       THR  15  -0.637  -8.336   3.073
   93   1HG2  THR  15          1HG2      THR  15  -1.013  -9.248   0.875
   94   2HG2  THR  15          2HG2      THR  15  -1.678 -10.611   1.778
   95   3HG2  THR  15          3HG2      THR  15  -2.665  -9.752   0.569
   96    H    MET  16           HN       MET  16  -1.617  -5.513   3.279
   97    HA   MET  16           HA       MET  16  -4.001  -4.826   4.864
   98   1HB   MET  16          2HB       MET  16  -1.150  -4.738   5.340
   99   2HB   MET  16          3HB       MET  16  -1.714  -3.092   5.333
  100   1HG   MET  16          2HG       MET  16  -1.975  -3.828   7.545
  101   2HG   MET  16          3HG       MET  16  -3.592  -3.707   6.834
  102   1HE   MET  16          3HE       MET  16  -0.743  -6.056   7.928
  103   2HE   MET  16          1HE       MET  16  -1.463  -7.676   7.780
  104   3HE   MET  16          2HE       MET  16  -1.078  -6.749   6.319
  105    H    CYS  17           HN       CYS  17  -2.836  -3.936   1.857
  106    HA   CYS  17           HA       CYS  17  -2.759  -1.183   1.887
  107   1HB   CYS  17          2HB       CYS  17  -2.189  -2.731  -0.011
  108   2HB   CYS  17          3HB       CYS  17  -3.930  -2.824  -0.384
  109    H    GLY  18           HN       GLY  18  -5.530  -3.051   2.530
  110   1HA   GLY  18          1HA       GLY  18  -7.649  -1.469   1.607
  111   2HA   GLY  18          2HA       GLY  18  -7.659  -2.501   3.048
  112    OH   TYR  19           OH       TYR  19  -5.521  -2.734   9.786
  113    H    TYR  19           HN       TYR  19  -5.236  -0.627   4.052
  114    HA   TYR  19           HA       TYR  19  -6.938   1.247   5.466
  115   1HB   TYR  19          2HB       TYR  19  -3.924   0.954   5.172
  116   2HB   TYR  19          3HB       TYR  19  -4.694   2.215   6.139
  117    HD1  TYR  19           HD2      TYR  19  -6.834   1.006   7.611
  118    HD2  TYR  19           HD1      TYR  19  -2.892  -0.532   6.801
  119    HE1  TYR  19           HE2      TYR  19  -7.250  -0.858   9.169
  120    HE2  TYR  19           HE1      TYR  19  -3.203  -2.180   8.630
  121    HH   TYR  19           HH       TYR  19  -4.865  -2.778  10.493
  122    H    CYS  20           HN       CYS  20  -5.134   1.331   2.441
  123    HA   CYS  20           HA       CYS  20  -5.657   4.210   2.007
  124   1HB   CYS  20          2HB       CYS  20  -4.596   2.058   0.118
  125   2HB   CYS  20          3HB       CYS  20  -4.680   3.791  -0.158
  126    H    GLN  21           HN       GLN  21  -7.006   4.830   0.019
  127    HA   GLN  21           HA       GLN  21  -8.841   2.779  -0.945
  128   1HB   GLN  21          2HB       GLN  21 -10.893   3.957  -0.345
  129   2HB   GLN  21          3HB       GLN  21 -10.050   3.235   1.011
  130   1HG   GLN  21          2HG       GLN  21 -10.923   5.381   1.668
  131   2HG   GLN  21          3HG       GLN  21  -9.162   5.417   1.711
  132   1HE2  GLN  21          2HE2      GLN  21 -11.034   7.404  -1.452
  133   2HE2  GLN  21          1HE2      GLN  21 -11.628   5.857  -0.932
  134    H    GLY  22           HN       GLY  22 -10.173   3.697  -2.757
  135   1HA   GLY  22          1HA       GLY  22 -10.411   5.009  -4.650
  136   2HA   GLY  22          2HA       GLY  22  -9.781   6.335  -3.683
  137    HA   PRO  23           HA       PRO  23  -6.548   5.554  -6.919
  138   1HB   PRO  23          2HB       PRO  23  -5.077   7.851  -6.491
  139   2HB   PRO  23          3HB       PRO  23  -6.531   7.778  -7.510
  140   1HG   PRO  23          2HG       PRO  23  -6.331   8.658  -4.620
  141   2HG   PRO  23          3HG       PRO  23  -7.216   9.469  -5.936
  142   1HD   PRO  23          2HD       PRO  23  -8.464   7.912  -4.167
  143   2HD   PRO  23          3HD       PRO  23  -8.959   7.860  -5.888
  144    H    LEU  24           HN       LEU  24  -6.102   6.617  -3.541
  145    HA   LEU  24           HA       LEU  24  -3.415   5.859  -3.374
  146   1HB   LEU  24          2HB       LEU  24  -5.671   6.397  -1.459
  147   2HB   LEU  24          3HB       LEU  24  -4.132   5.790  -0.827
  148    HG   LEU  24           HG       LEU  24  -4.218   8.072  -2.778
  149   1HD1  LEU  24          3HD1      LEU  24  -4.600   8.126   0.197
  150   2HD1  LEU  24          1HD1      LEU  24  -4.325   9.550  -0.873
  151   3HD1  LEU  24          2HD1      LEU  24  -5.794   8.558  -1.066
  152   1HD2  LEU  24          2HD2      LEU  24  -2.337   7.254  -0.515
  153   2HD2  LEU  24          3HD2      LEU  24  -2.001   7.063  -2.253
  154   3HD2  LEU  24          1HD2      LEU  24  -2.146   8.691  -1.552
  155    OH   TYR  25           OH       TYR  25  -6.962  -4.242  -2.870
  156    H    TYR  25           HN       TYR  25  -6.348   3.888  -3.236
  157    HA   TYR  25           HA       TYR  25  -5.109   1.522  -1.996
  158   1HB   TYR  25          2HB       TYR  25  -7.573   1.824  -2.326
  159   2HB   TYR  25          3HB       TYR  25  -7.340   1.747  -4.067
  160    HD1  TYR  25           HD2      TYR  25  -6.551  -0.155  -0.916
  161    HD2  TYR  25           HD1      TYR  25  -7.551  -0.353  -5.110
  162    HE1  TYR  25           HE2      TYR  25  -6.529  -2.621  -0.808
  163    HE2  TYR  25           HE1      TYR  25  -7.713  -2.806  -4.952
  164    HH   TYR  25           HH       TYR  25  -6.471  -4.554  -2.091
  165    H    MET  26           HN       MET  26  -5.553   2.656  -5.404
  166    HA   MET  26           HA       MET  26  -4.113   0.491  -6.489
  167   1HB   MET  26          2HB       MET  26  -4.451   3.319  -7.616
  168   2HB   MET  26          3HB       MET  26  -4.108   1.822  -8.464
  169   1HG   MET  26          2HG       MET  26  -6.374   0.994  -7.360
  170   2HG   MET  26          3HG       MET  26  -6.680   2.720  -7.160
  171   1HE   MET  26          1HE       MET  26  -6.167  -0.273  -9.405
  172   2HE   MET  26          2HE       MET  26  -6.473   0.324 -11.045
  173   3HE   MET  26          3HE       MET  26  -4.945   0.714 -10.227
  174    H    THR  27           HN       THR  27  -3.081   3.798  -5.534
  175    HA   THR  27           HA       THR  27  -0.432   3.398  -6.363
  176    HB   THR  27           HB       THR  27  -1.783   5.412  -4.613
  177    HG1  THR  27          1HG       THR  27  -1.504   5.285  -7.077
  178   1HG2  THR  27          1HG2      THR  27   1.229   5.166  -4.982
  179   2HG2  THR  27          2HG2      THR  27   0.384   6.650  -4.497
  180   3HG2  THR  27          3HG2      THR  27   0.335   5.234  -3.451
  181    H    CYS  28           HN       CYS  28  -1.769   2.973  -3.092
  182    HA   CYS  28           HA       CYS  28   0.685   2.016  -1.953
  183   1HB   CYS  28          2HB       CYS  28  -0.851   2.461  -0.340
  184   2HB   CYS  28          3HB       CYS  28  -2.231   1.861  -1.264
  185    H    ILE  29           HN       ILE  29  -1.834   0.353  -4.018
  186    HA   ILE  29           HA       ILE  29  -0.686  -2.123  -3.448
  187    HB   ILE  29           HB       ILE  29  -2.406  -1.179  -5.747
  188   1HG1  ILE  29          2HG1      ILE  29  -3.518  -1.667  -3.572
  189   2HG1  ILE  29          3HG1      ILE  29  -3.992  -2.739  -4.869
  190   1HG2  ILE  29          3HG2      ILE  29  -0.868  -3.770  -5.467
  191   2HG2  ILE  29          1HG2      ILE  29  -2.378  -3.683  -6.396
  192   3HG2  ILE  29          2HG2      ILE  29  -0.983  -2.689  -6.854
  193   1HD1  ILE  29          2HD1      ILE  29  -2.290  -4.432  -3.931
  194   2HD1  ILE  29          3HD1      ILE  29  -2.109  -3.342  -2.545
  195   3HD1  ILE  29          1HD1      ILE  29  -3.680  -4.064  -2.893
  196    H    GLY  30           HN       GLY  30  -0.225   0.098  -6.148
  197   1HA   GLY  30          1HA       GLY  30   1.757  -1.070  -7.658
  198   2HA   GLY  30          2HA       GLY  30   1.706   0.672  -7.306
  199    H    ILE  31           HN       ILE  31   2.284   1.055  -4.864
  200    HA   ILE  31           HA       ILE  31   5.093   0.711  -4.635
  201    HB   ILE  31           HB       ILE  31   2.840   1.533  -2.733
  202   1HG1  ILE  31          2HG1      ILE  31   5.326   3.072  -3.536
  203   2HG1  ILE  31          3HG1      ILE  31   3.917   2.989  -4.601
  204   1HG2  ILE  31          2HG2      ILE  31   5.731   1.001  -1.982
  205   2HG2  ILE  31          3HG2      ILE  31   4.819   2.236  -1.156
  206   3HG2  ILE  31          1HG2      ILE  31   4.254   0.565  -1.101
  207   1HD1  ILE  31          1HD1      ILE  31   2.480   3.943  -2.834
  208   2HD1  ILE  31          2HD1      ILE  31   3.888   4.118  -1.766
  209   3HD1  ILE  31          3HD1      ILE  31   3.809   5.031  -3.275
  210    H    THR  32           HN       THR  32   2.579  -0.932  -2.680
  211    HA   THR  32           HA       THR  32   4.511  -2.400  -1.254
  212    HB   THR  32           HB       THR  32   2.545  -3.885  -0.603
  213    HG1  THR  32          1HG       THR  32   1.168  -2.128  -2.351
  214   1HG2  THR  32          1HG2      THR  32   3.067  -1.678   0.590
  215   2HG2  THR  32          2HG2      THR  32   1.909  -0.912  -0.475
  216   3HG2  THR  32          3HG2      THR  32   1.373  -2.169   0.656
  217    H    THR  33           HN       THR  33   2.682  -3.194  -4.108
  218    HA   THR  33           HA       THR  33   3.804  -5.868  -4.350
  219    HB   THR  33           HB       THR  33   2.166  -6.207  -6.022
  220    HG1  THR  33          1HG       THR  33   1.975  -3.376  -6.016
  221   1HG2  THR  33          2HG2      THR  33   1.416  -6.181  -3.784
  222   2HG2  THR  33          3HG2      THR  33   0.884  -4.495  -3.959
  223   3HG2  THR  33          1HG2      THR  33   0.176  -5.761  -4.971
  224    H    ASP  34           HN       ASP  34   5.324  -2.960  -4.721
  225    HA   ASP  34           HA       ASP  34   6.388  -3.290  -7.416
  226   1HB   ASP  34          2HB       ASP  34   6.057  -1.058  -6.081
  227   2HB   ASP  34          3HB       ASP  34   7.487  -1.551  -5.184
  228    HA   PRO  35           HA       PRO  35   9.767  -5.927  -5.795
  229   1HB   PRO  35          2HB       PRO  35  11.649  -5.583  -7.781
  230   2HB   PRO  35          3HB       PRO  35  10.231  -6.664  -7.906
  231   1HG   PRO  35          2HG       PRO  35  10.508  -3.844  -8.925
  232   2HG   PRO  35          3HG       PRO  35   9.879  -5.278  -9.802
  233   1HD   PRO  35          2HD       PRO  35   8.226  -3.458  -8.687
  234   2HD   PRO  35          3HD       PRO  35   7.812  -5.173  -8.549
  235    H    GLU  36           HN       GLU  36   9.820  -2.444  -6.148
  236    HA   GLU  36           HA       GLU  36  12.328  -2.123  -4.880
  237   1HB   GLU  36          2HB       GLU  36  11.156  -0.513  -6.402
  238   2HB   GLU  36          3HB       GLU  36   9.936  -0.233  -5.143
  239   1HG   GLU  36          2HG       GLU  36  11.594   0.706  -3.671
  240   2HG   GLU  36          3HG       GLU  36  12.910   0.213  -4.755
  241    H    CYS  37           HN       CYS  37   9.466  -3.313  -3.776
  242    HA   CYS  37           HA       CYS  37   9.380  -2.546  -1.018
  243   1HB   CYS  37          2HB       CYS  37   7.570  -3.808  -1.816
  244   2HB   CYS  37          3HB       CYS  37   8.554  -5.055  -2.499
  245    H    GLY  38           HN       GLY  38  11.244  -2.494   0.033
  246   1HA   GLY  38          1HA       GLY  38  12.994  -3.358   1.336
  247   2HA   GLY  38          2HA       GLY  38  12.410  -4.986   0.919
  248    H    LEU  39           HN       LEU  39  13.422  -2.408  -1.286
  249    HA   LEU  39           HA       LEU  39  15.415  -4.091  -2.579
  250   1HB   LEU  39          2HB       LEU  39  14.001  -2.055  -3.485
  251   2HB   LEU  39          3HB       LEU  39  15.217  -1.055  -2.708
  252    HG   LEU  39           HG       LEU  39  16.939  -2.136  -4.196
  253   1HD1  LEU  39          1HD1      LEU  39  14.461  -3.340  -5.573
  254   2HD1  LEU  39          2HD1      LEU  39  16.124  -3.422  -6.177
  255   3HD1  LEU  39          3HD1      LEU  39  15.672  -4.296  -4.711
  256   1HD2  LEU  39          1HD2      LEU  39  15.793  -0.004  -4.760
  257   2HD2  LEU  39          2HD2      LEU  39  16.320  -0.936  -6.172
  258   3HD2  LEU  39          3HD2      LEU  39  14.608  -0.936  -5.705
  259    HA   PRO  40           HA       PRO  40  18.418  -3.519   0.596
  260   1HB   PRO  40          2HB       PRO  40  20.805  -3.196  -0.847
  261   2HB   PRO  40          3HB       PRO  40  20.015  -4.739  -0.415
  262   1HG   PRO  40          2HG       PRO  40  19.788  -3.179  -2.987
  263   2HG   PRO  40          3HG       PRO  40  20.005  -4.946  -2.793
  264   1HD   PRO  40          2HD       PRO  40  17.588  -3.955  -3.318
  265   2HD   PRO  40          3HD       PRO  40  17.710  -5.192  -2.056
   
   
  No H/Q in entry =         265