*HEADER   PHEROMONE                               14-FEB-94   1ERC    
*COMPND   PHEROMONE ER-1 (NMR, 20 STRUCTURES)                         
*SOURCE   (EUPLOTES RAIKOVI)                                          
*AUTHOR   S.MRONGA,P.LUGINBUHL,L.R.BROWN,C.ORTENZI,P.LUPORINI,        
*AUTHOR  2 R.A.BRADSHAW,K.WUTHRICH                                    
*REVDAT  1   15-OCT-94 1ERC    0                                      

HEADER    PHEROMONE                               10-FEB-94   1ER1      
COMPND    PHEROMONE ER-1 (NMR, 20 STRUCTURES)                           
SOURCE    (EUPLOTES RAIKOVI)                                            
COORDS    1ER1                                                          
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-1 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   4.28        2HB   3.20        3HB   2.98        
SHIFTS  ALA    2   HN   8.87         HA   4.17         QB   1.55        
SHIFTS  CYSS   3   HN   8.03         HA   4.04        2HB   3.46        
SHIFTS  CYSS   3  3HB   3.18                                            
SHIFTS  GLU-   4   HN   7.96         HA   3.89         QB   2.06        
SHIFTS  GLU-   4  2HG   2.26        3HG   2.42                          
SHIFTS  GLN    5   HN   7.79         HA   3.89         QB   2.08        
SHIFTS  GLN    5   QG   2.39                                            
SHIFTS  ALA    6   HN   7.80         HA   3.91         QB   1.40        
SHIFTS  ALA    7   HN   7.09         HA   3.93         QB   1.35        
SHIFTS  ILE    8   HN   7.42         HA   3.68         HB   1.81        
SHIFTS  ILE    8   QG2  0.86        2HG1  1.35        3HG1  1.12        
SHIFTS  ILE    8   QD1  0.69                                            
SHIFTS  GLN    9   HN   7.74         HA   4.22        2HB   2.32        
SHIFTS  GLN    9  3HB   2.10        2HG   2.58        3HG   2.44        
SHIFTS  CYSS  10   HN   8.47         HA   4.51        2HB   3.54        
SHIFTS  CYSS  10  3HB   3.68                                            
SHIFTS  VAL   11   HN   8.28         HA   4.40         HB   2.13        
SHIFTS  VAL   11   QG1  0.95         QG2  1.00                          
SHIFTS  GLU-  12   HN   8.69         HA   3.85         QB   2.28        
SHIFTS  GLU-  12   QG   2.55                                            
SHIFTS  SER   13   HN   8.61         HA   4.26         QB   4.00        
SHIFTS  ALA   14   HN   7.59         HA   4.43         QB   1.48        
SHIFTS  CYSS  15   HN   7.49         HA   4.42        2HB   2.31        
SHIFTS  CYSS  15  3HB   2.43                                            
SHIFTS  GLU-  16   HN   7.33         HA   3.95        2HB   2.04        
SHIFTS  GLU-  16   QB   2.21         QG   2.43                          
SHIFTS  SER   17   HN   7.39         HA   4.43         QB   3.87        
SHIFTS  LEU   18   HN   8.29         HA   4.56        2HB   1.43        
SHIFTS  LEU   18  3HB   1.77         HG   1.76         QD1  0.83        
SHIFTS  LEU   18   QD2  0.88                                            
SHIFTS  CYSS  19   HN   6.96         HA   5.13        2HB   3.57        
SHIFTS  CYSS  19  3HB   2.54                                            
SHIFTS  THR   20   HN   9.09         HA   4.10         HB   4.28        
SHIFTS  THR   20   QG2  1.42                                            
SHIFTS  GLU-  21   HN   8.54         HA   3.88         QB   2.09        
SHIFTS  GLU-  21   QG   2.44                                            
SHIFTS  GLY   22   HN   8.97        1HA   3.67        2HA   4.54        
SHIFTS  GLU-  23   HN   9.03         HA   4.06         QB   2.13        
SHIFTS  GLU-  23   QG   2.47                                            
SHIFTS  ASP-  24   HN   9.17         HA   4.44        2HB   3.17        
SHIFTS  ASP-  24  3HB   3.09                                            
SHIFTS  ARG+  25   HN   7.55         HA   3.74         QB   1.98        
SHIFTS  ARG+  25  2HG   1.49        3HG   1.88        2HD   3.38        
SHIFTS  ARG+  25  3HD   3.47         HE   6.20                          
SHIFTS  THR   26   HN   8.63         HA   4.07         HB   4.18        
SHIFTS  THR   26   QG2  1.26                                            
SHIFTS  GLY   27   HN   8.41        1HA   3.87        2HA   4.00        
SHIFTS  CYSS  28   HN   7.60         HA   4.29        2HB   3.03        
SHIFTS  CYSS  28  3HB   3.33                                            
SHIFTS  TYR   29   HN   7.77         HA   3.82        2HB   2.86        
SHIFTS  TYR   29  3HB   2.80         CG   7.05         CZ   6.73        
SHIFTS  MET   30   HN   8.61         HA   4.13        2HB   2.09        
SHIFTS  MET   30  3HB   2.16        2HG   2.65        3HG   2.73        
SHIFTS  TYR   31   HN   8.16         HA   3.92        2HB   3.11        
SHIFTS  TYR   31  3HB   3.29         CG   6.94         CZ   6.76        
SHIFTS  ILE   32   HN   8.17         HA   3.89         HB   2.04        
SHIFTS  ILE   32   QG2  1.05        2HG1  2.03        3HG1  1.86        
SHIFTS  ILE   32   QD1  0.83                                            
SHIFTS  TYR   33   HN   8.39         HA   4.20        2HB   3.01        
SHIFTS  TYR   33  3HB   2.86         CG   6.36         CZ   6.56        
SHIFTS  SER   34   HN   7.35         HA   4.58        2HB   3.77        
SHIFTS  SER   34  3HB   3.81                                            
SHIFTS  ASN   35   HN   7.72         HA   4.93        2HB   1.97        
SHIFTS  ASN   35  3HB   2.38        1HD2  6.56        2HD2  6.72        
SHIFTS  CYSS  36   HN   8.54         HA   5.39        2HB   3.81        
SHIFTS  CYSS  36  3HB   3.25                                            
SHIFTS  PRO   37   HA   4.93        2HB   1.94        3HB   2.44        
SHIFTS  PRO   37  2HG   2.19        3HG   2.27        2HD   3.97        
SHIFTS  PRO   37  3HD   4.05                                            
SHIFTS  PRO   38   HA   4.66        2HB   2.23        3HB   2.04        
SHIFTS  PRO   38  2HG   0.83        3HG   1.77        2HD   2.98        
SHIFTS  PRO   38  3HD   3.33                                            
SHIFTS  TYR   39   HN   8.14         HA   4.20        2HB   3.34        
SHIFTS  TYR   39  3HB   3.50         CG   7.26         CZ   6.89        
SHIFTS  VAL   40   HN   7.33         HA   4.20         HB   2.04        
SHIFTS  VAL   40   QG1  0.63         QG2  0.81                          
JCOUPL  ALA    2   HN   HA   4.70                                       
JCOUPL  CYSS   3   HN   HA   4.60    HA  2HB  12.60    HA  3HB   4.60   
JCOUPL  GLU-   4   HN   HA   4.20                                       
JCOUPL  ALA    6   HN   HA   4.40                                       
JCOUPL  ALA    7   HN   HA   4.10                                       
JCOUPL  ILE    8   HN   HA   4.10                                       
JCOUPL  GLN    9   HN   HA   6.80    HA  2HB   3.40    HA  3HB  11.70   
JCOUPL  CYSS  10   HN   HA   6.50    HA  3HB  11.00    HA  2HB   2.80   
JCOUPL  VAL   11   HN   HA   9.00                                       
JCOUPL  GLU-  12   HN   HA   3.90                                       
JCOUPL  SER   13   HN   HA   3.50                                       
JCOUPL  ALA   14   HN   HA   6.60                                       
JCOUPL  CYSS  15   HN   HA   3.80    HA  3HB   3.50    HA  2HB  12.00   
JCOUPL  GLU-  16   HN   HA   5.40                                       
JCOUPL  SER   17   HN   HA   7.10                                       
JCOUPL  LEU   18   HN   HA   8.30    HA  3HB  11.60    HA  2HB   3.00   
JCOUPL  CYSS  19   HN   HA   9.30    HA  2HB  12.80    HA  3HB   4.40   
JCOUPL  THR   20   HN   HA   5.20                                       
JCOUPL  GLU-  21   HN   HA   3.60                                       
JCOUPL  GLU-  23   HN   HA   3.80                                       
JCOUPL  ASP-  24   HN   HA   5.20                                       
JCOUPL  ARG+  25   HN   HA   5.00                                       
JCOUPL  THR   26   HN   HA   3.90                                       
JCOUPL  CYSS  28   HN   HA   4.30    HA  3HB  11.60    HA  2HB   5.10   
JCOUPL  TYR   29   HN   HA   4.30    HA  3HB  10.40    HA  2HB   2.60   
JCOUPL  MET   30   HN   HA   3.70    HA  3HB   9.90    HA  2HB   5.20   
JCOUPL  TYR   31   HN   HA   5.00    HA  3HB  12.60    HA  2HB   5.10   
JCOUPL  ILE   32   HN   HA   4.10                                       
JCOUPL  TYR   33   HN   HA   3.70    HA  2HB   4.20    HA  3HB  12.70   
JCOUPL  SER   34   HN   HA   8.60                                       
JCOUPL  ASN   35   HN   HA  10.30    HA  3HB   3.30    HA  2HB  12.20   
JCOUPL  CYSS  36   HN   HA   8.70    HA  2HB  10.20    HA  3HB   2.60   
JCOUPL  TYR   39   HN   HA   5.70    HA  3HB   4.40    HA  2HB  12.60   
JCOUPL  VAL   40   HN   HA   9.20                                       
NOEUPP  ASP-   1  HA  ASP-   1 2HB   2.80      HA  ASP-   1 3HB   2.80  
NOEUPP  ASP-   1  HA  ALA    2  HN   2.90      HA  ALA    2  QB   6.00  
NOEUPP  ASP-   1  HA  CYSS   3  HN   5.00     2HB  ALA    2  HN   3.50  
NOEUPP  ASP-   1 3HB  ALA    2  HN   3.50      QB  ALA    2  HN   3.00  
NOEUPP  ASP-   1  QB  CYSS   3  HN   5.78                               
NOEUPP  ALA    2  HN  ALA    2  QB   3.40      HN  CYSS   3  HN   3.20  
NOEUPP  ALA    2  HN  CYSS   3 2HB   5.00      HN  GLU-   4  HN   5.00  
NOEUPP  ALA    2  HN  GLN    5  QB   6.00      HA  CYSS   3  HN   3.60  
NOEUPP  ALA    2  HA  GLN    5  QB   4.30      HA  GLN    5  QG   6.00  
NOEUPP  ALA    2  HA  LEU   18  QQD  7.57      QB  CYSS   3  HN   3.50  
NOEUPP  ALA    2  QB  CYSS   3  HA   6.00      QB  GLU-   4  HN   6.00  
NOEUPP  ALA    2  QB  LEU   18  HA   5.50      QB  LEU   18  HG   3.40  
NOEUPP  ALA    2  QB  LEU   18  QD1  4.60      QB  LEU   18  QD2  4.60  
NOEUPP  ALA    2  QB  LEU   18  QQD  4.22                               
NOEUPP  CYSS   3  HN  CYSS   3 2HB   2.70      HN  GLU-   4  HN   5.00  
NOEUPP  CYSS   3  HN  GLN    5  HN   5.00      HN  ALA    6  QB   6.00  
NOEUPP  CYSS   3  HN  LEU   18  QB   5.88      HN  LEU   18  QQD  7.57  
NOEUPP  CYSS   3  HN  CYSS  19  HA   5.00      HA  ALA    6  HN   3.50  
NOEUPP  CYSS   3  HA  ALA    6  QB   4.10      HA  LEU   18  HG   3.60  
NOEUPP  CYSS   3  HA  LEU   18  QQD  7.57      HA  CYSS  19  HA   4.60  
NOEUPP  CYSS   3 2HB  GLU-   4  HN   3.50     3HB  GLU-   4  HN   5.00  
NOEUPP  GLU-   4  HN  GLU-   4  QG   5.88      HN  GLN    5  HN   5.00  
NOEUPP  GLU-   4  HN  ALA    6  HN   5.00      HN  ALA    6  QB   6.00  
NOEUPP  GLU-   4  HA  ALA    7  HN   3.50      HA  ALA    7  QB   3.70  
NOEUPP  GLU-   4  QB  ALA    7  HN   6.00                               
NOEUPP  GLN    5  HA  ILE    8  HN   3.20      HA  ILE    8  HB   2.80  
NOEUPP  GLN    5  HA  ILE    8  QG1  5.88      HA  ILE    8  QD1  4.30  
NOEUPP  ALA    6  HN  ALA    7  HN   3.00      HN  ILE    8  HN   4.50  
NOEUPP  ALA    6  HN  ALA   14  QB   6.00      HA  GLN    9  HN   3.80  
NOEUPP  ALA    6  HA  VAL   11  QQG  6.66      HA  ALA   14  QB   4.00  
NOEUPP  ALA    6  QB  ALA    7  HN   3.40      QB  GLN    9  HN   5.70  
NOEUPP  ALA    6  QB  VAL   11  HB   5.90      QB  ALA   14  HN   6.00  
NOEUPP  ALA    6  QB  CYSS  15  HN   5.40      QB  CYSS  15  HA   4.70  
NOEUPP  ALA    7  HN  ALA    7  QB   3.40      HN  ILE    8  HN   3.00  
NOEUPP  ALA    7  HA  ILE    8  HN   3.40      HA  CYSS  10  HN   4.10  
NOEUPP  ALA    7  HA  VAL   11  HN   4.70      HA  ALA   14  QB   5.80  
NOEUPP  ALA    7  HA  ILE   32  QG1  4.18      HA  ILE   32  QD1  3.70  
NOEUPP  ALA    7  QB  CYSS  15  HN   6.00      QB  CYSS  28  HN   6.00  
NOEUPP  ALA    7  QB  CYSS  28  HA   3.40      QB  CYSS  28 2HB   4.70  
NOEUPP  ALA    7  QB  TYR   31 2HB   4.20      QB  TYR   31 3HB   3.40  
NOEUPP  ALA    7  QB  TYR   31  CG   6.40      QB  TYR   31  CZ   8.00  
NOEUPP  ALA    7  QB  ILE   32  HN   4.80                               
NOEUPP  ILE    8  HN  ILE    8  HB   2.60      HN  ILE    8  QG2  4.00  
NOEUPP  ILE    8  HN  ILE    8  QG1  4.08      HN  ILE    8  QD1  4.80  
NOEUPP  ILE    8  HN  GLN    9  HN   2.90      HN  CYSS  10  HN   4.60  
NOEUPP  ILE    8  HA  ILE    8  QG2  3.60      HA  ILE    8 2HG1  3.80  
NOEUPP  ILE    8  HA  ILE    8 3HG1  3.80      HA  ILE    8  QG1  3.60  
NOEUPP  ILE    8  HA  CYSS  10  HN   5.00      HA  TYR   31  CG   7.00  
NOEUPP  ILE    8  HA  TYR   31  CZ   5.30      HB  GLN    9  HN   3.20  
NOEUPP  ILE    8  QG2 ILE    8 2HG1  3.50      QG2 ILE    8 3HG1  3.50  
NOEUPP  ILE    8  QG2 ILE    8  QD1  4.40      QG2 GLN    9  HN   4.40  
NOEUPP  ILE    8  QG2 GLN    9 2HG   6.00      QG2 TYR   31  CZ   8.00  
NOEUPP  ILE    8  QG1 GLN    9  HN   5.88      QG1 TYR   31  CG   7.88  
NOEUPP  ILE    8  QG1 TYR   31  CZ   7.88      QD1 TYR   31  CZ   8.00  
NOEUPP  GLN    9  HN  GLN    9 2HB   3.30      HN  GLN    9 3HB   2.70  
NOEUPP  GLN    9  HN  CYSS  10  HN   2.90      HN  CYSS  10  HA   5.00  
NOEUPP  GLN    9  HN  VAL   11  QQG  7.56      HA  GLN    9 2HB   2.70  
NOEUPP  GLN    9  HA  GLN    9 2HG   3.80      HA  GLN    9 3HG   3.10  
NOEUPP  GLN    9  HA  CYSS  10  HN   3.60      HA  VAL   11  QQG  7.56  
NOEUPP  GLN    9 2HB  CYSS  10  HN   4.60     2HB  VAL   11  QQG  5.46  
NOEUPP  GLN    9 3HB  CYSS  10  HN   3.50                               
NOEUPP  CYSS  10  HN  CYSS  10  HA   2.70      HN  VAL   11  HN   3.10  
NOEUPP  CYSS  10  HN  VAL   11  QQG  7.56      HN  TYR   31  CZ   7.00  
NOEUPP  CYSS  10  HN  ILE   32  QG2  6.00      HN  ILE   32  QG1  5.88  
NOEUPP  CYSS  10  HN  ILE   32  QD1  4.60      HA  VAL   11  HN   3.60  
NOEUPP  CYSS  10  HA  VAL   11  QQG  7.56      HA  ILE   32  QG2  4.40  
NOEUPP  CYSS  10  HA  ILE   32  QG1  3.78      HA  ILE   32  QD1  4.10  
NOEUPP  CYSS  10  HA  CYSS  36 3HB   4.90      QB  ILE   32  QG2  6.58  
NOEUPP  CYSS  10  QB  CYSS  36  HA   5.88                               
NOEUPP  VAL   11  HN  VAL   11  HB   3.30      HN  VAL   11  QQG  3.92  
NOEUPP  VAL   11  HN  GLU-  12  HN   4.10      HN  ILE   32  QD1  3.50  
NOEUPP  VAL   11  HA  VAL   11  QG1  3.40      HA  VAL   11  QG2  3.40  
NOEUPP  VAL   11  HA  GLU-  12  HN   2.40      HA  SER   13  HN   3.80  
NOEUPP  VAL   11  HB  GLU-  12  HN   3.80      HB  ALA   14  HN   3.80  
NOEUPP  VAL   11  HB  ALA   14  QB   3.90      QG1 GLU-  12  HN   5.80  
NOEUPP  VAL   11  QG1 SER   13  HN   6.00      QG1 ALA   14  HN   5.70  
NOEUPP  VAL   11  QG1 ALA   14  QB   6.00      QG2 GLU-  12  HN   5.80  
NOEUPP  VAL   11  QG2 SER   13  HN   6.00      QG2 ALA   14  HN   5.70  
NOEUPP  VAL   11  QG2 ALA   14  QB   6.00      QQG GLU-  12  HN   5.00  
NOEUPP  VAL   11  QQG SER   13  HN   4.81      QQG SER   13  QB   8.26  
NOEUPP  VAL   11  QQG ALA   14  HN   4.43      QQG ALA   14  QB   5.02  
NOEUPP  VAL   11  QQG CYSS  15  HN   7.56                               
NOEUPP  GLU-  12  HN  GLU-  12  HA   2.90      HN  GLU-  12  QB   3.50  
NOEUPP  GLU-  12  HN  GLU-  12  QG   5.10      HN  SER   13  HN   2.60  
NOEUPP  GLU-  12  HN  ALA   14  HN   4.50      HN  ILE   32  QG2  5.70  
NOEUPP  GLU-  12  HN  ILE   32  QD1  4.20      HA  SER   13  HN   3.40  
NOEUPP  GLU-  12  HA  CYSS  15  HN   4.00      HA  TYR   29  CG   7.00  
NOEUPP  GLU-  12  HA  TYR   29  CZ   7.00      HA  ILE   32  QD1  3.40  
NOEUPP  GLU-  12  QB  SER   13  HN   4.50      QB  TYR   29  CG   8.00  
NOEUPP  GLU-  12  QB  TYR   29  CZ   8.00      QB  ILE   32  QG2  5.70  
NOEUPP  GLU-  12  QB  ILE   32  QD1  5.70      QB  TYR   39  CZ   8.00  
NOEUPP  GLU-  12  QG  SER   13  HN   6.00      QG  CYSS  15  HN   6.00  
NOEUPP  GLU-  12  QG  TYR   29  CG   8.00      QG  TYR   29  CZ   8.00  
NOEUPP  GLU-  12  QG  ILE   32  QG2  5.80      QG  ILE   32  QD1  5.90  
NOEUPP  GLU-  12  QG  TYR   33  CZ   8.00      QG  TYR   39  CZ   8.00  
NOEUPP  SER   13  HN  SER   13  QB   3.90      HN  ALA   14  QB   6.00  
NOEUPP  SER   13  HN  CYSS  15  HN   4.90      HA  CYSS  15  HN   4.30  
NOEUPP  SER   13  HA  GLU-  16  HN   3.90      HA  GLU-  16  QB   5.50  
NOEUPP  SER   13  HA  GLU-  16  QG   6.00      HA  SER   17  HN   5.00  
NOEUPP  ALA   14  HN  ALA   14  QB   3.40      HN  CYSS  15  HN   2.60  
NOEUPP  ALA   14  HN  GLU-  16  HN   4.50      HA  LEU   18  QQD  6.57  
NOEUPP  ALA   14  QB  CYSS  15  HN   3.90      QB  GLU-  16  HN   6.00  
NOEUPP  ALA   14  QB  SER   17  HN   6.00      QB  LEU   18  QQD  5.97  
NOEUPP  CYSS  15  HN  CYSS  15 2HB   2.80      HN  CYSS  15 3HB   3.50  
NOEUPP  CYSS  15  HN  GLU-  16  HN   2.80      HN  GLU-  16  QB   5.50  
NOEUPP  CYSS  15  HA  CYSS  15 3HB   2.80      HA  LEU   18  QB   4.18  
NOEUPP  CYSS  15  HA  LEU   18  HG   4.20      HA  CYSS  19  HN   3.90  
NOEUPP  CYSS  15  HA  CYSS  19 2HB   3.70      HA  CYSS  28 3HB   4.90  
NOEUPP  CYSS  15 2HB  GLU-  16  HN   3.10     2HB  TYR   29  CG   7.00  
NOEUPP  CYSS  15 2HB  TYR   29  CZ   6.90     3HB  GLU-  16  HN   3.50  
NOEUPP  CYSS  15 3HB  CYSS  28 3HB   3.20     3HB  TYR   29  CG   7.00  
NOEUPP  GLU-  16  HN  LEU   18  HN   4.30      HA  SER   17  HN   3.60  
NOEUPP  GLU-  16  HA  ARG+  25  HE   3.30      HA  TYR   29  CZ   7.00  
NOEUPP  GLU-  16  QB  SER   17  HN   4.00      QB  TYR   29  CZ   8.00  
NOEUPP  SER   17  HN  SER   17  HA   2.90      HN  SER   17  QB   3.80  
NOEUPP  SER   17  HN  LEU   18  HN   2.80                               
NOEUPP  LEU   18  HN  LEU   18  QQD  6.37      HN  CYSS  19  HN   2.80  
NOEUPP  LEU   18  HA  LEU   18  QD1  4.40      HA  LEU   18  QD2  4.40  
NOEUPP  LEU   18  HA  LEU   18  QQD  3.61      QB  LEU   18  HG   2.59  
NOEUPP  LEU   18  QD1 CYSS  19  HN   6.00      QD2 CYSS  19  HN   6.00  
NOEUPP  CYSS  19  HN  CYSS  19 2HB   2.90      HN  CYSS  19 3HB   3.70  
NOEUPP  CYSS  19  HN  THR   20  HN   4.50      HN  ARG+  25  HA   5.00  
NOEUPP  CYSS  19  HN  ARG+  25  HE   4.80      HA  CYSS  19 3HB   2.70  
NOEUPP  CYSS  19  HA  THR   20  HN   2.60      HA  THR   20  HA   4.70  
NOEUPP  CYSS  19  HA  ASP-  24 3HB   5.00     2HB  THR   20  HN   4.40  
NOEUPP  CYSS  19 2HB  ARG+  25  HN   5.00     2HB  ARG+  25  HA   2.40  
NOEUPP  CYSS  19 2HB  ARG+  25  QB   6.00     2HB  ARG+  25 2HG   3.50  
NOEUPP  CYSS  19 2HB  ARG+  25 3HG   3.50     2HB  ARG+  25  QG   3.14  
NOEUPP  CYSS  19 2HB  ARG+  25  HE   3.60     3HB  THR   20  HN   3.30  
NOEUPP  CYSS  19 3HB  ASP-  24 2HB   3.70     3HB  ASP-  24 3HB   4.00  
NOEUPP  CYSS  19 3HB  ARG+  25  HN   3.80     3HB  ARG+  25  HA   2.60  
NOEUPP  CYSS  19 3HB  ARG+  25  QG   4.48     3HB  ARG+  25  HE   5.00  
NOEUPP  THR   20  HN  THR   20  HB   3.10      HN  GLU-  21  HN   3.90  
NOEUPP  THR   20  HN  ASP-  24 2HB   3.90      HN  ASP-  24 3HB   3.40  
NOEUPP  THR   20  HN  ARG+  25  HN   4.20      HA  THR   20  QG2  3.40  
NOEUPP  THR   20  HA  ARG+  25  HE   5.00      HB  GLU-  21  HN   3.30  
NOEUPP  THR   20  QG2 GLU-  21  HN   3.70      QG2 GLU-  21  QB   7.00  
NOEUPP  THR   20  QG2 ARG+  25  HE   5.80                               
NOEUPP  GLU-  21  HN  GLU-  21  HA   2.80      HN  GLU-  21  QB   3.40  
NOEUPP  GLU-  21  HN  GLY   22  HN   5.00      HN  ARG+  25  HE   5.00  
NOEUPP  GLU-  21  HA  GLY   22  HN   2.40      HA  ARG+  25  HN   4.50  
NOEUPP  GLU-  21  HA  ARG+  25  QG   4.68      HA  ARG+  25  HE   4.80  
NOEUPP  GLU-  21  QB  GLY   22  HN   4.40      QG  GLY   22  HN   5.20  
NOEUPP  GLY   22  HN  GLU-  23  HN   2.50      HN  ARG+  25  HN   4.00  
NOEUPP  GLY   22  HN  ARG+  25  QB   4.70      HN  ARG+  25  QG   5.08  
NOEUPP  GLY   22  HN  ARG+  25  QD   5.88     1HA  GLU-  23  HN   3.50  
NOEUPP  GLY   22 2HA  GLU-  23  HN   3.50      QA  GLU-  23  HN   3.05  
NOEUPP  GLU-  23  HN  GLU-  23  QB   3.60      HN  GLU-  23  QG   5.00  
NOEUPP  GLU-  23  HN  ASP-  24  HN   3.00      HN  ARG+  25  HN   5.00  
NOEUPP  GLU-  23  HA  THR   26  HB   3.10      QB  ASP-  24  HN   4.40  
NOEUPP  GLU-  23  QG  ASP-  24  HN   6.00                               
NOEUPP  ASP-  24  HN  ASP-  24 2HB   3.20      HN  ASP-  24 3HB   2.70  
NOEUPP  ASP-  24  HN  ARG+  25  HN   3.00      HA  GLY   27  HN   4.00  
NOEUPP  ASP-  24 2HB  ARG+  25  HN   3.70     3HB  ARG+  25  HN   3.00  
NOEUPP  ARG+  25  HN  ARG+  25  QB   3.70      HN  ARG+  25  QG   3.58  
NOEUPP  ARG+  25  HN  ARG+  25  HE   5.00      HN  THR   26  HN   2.90  
NOEUPP  ARG+  25  HA  ARG+  25 2HG   3.00      HA  ARG+  25 3HG   3.00  
NOEUPP  ARG+  25  HA  ARG+  25  QG   2.67      HA  ARG+  25  HE   4.90  
NOEUPP  ARG+  25  HA  CYSS  28  HN   3.70      HA  CYSS  28 2HB   3.80  
NOEUPP  ARG+  25  HA  CYSS  28 3HB   3.30      HA  TYR   29  HN   5.00  
NOEUPP  ARG+  25  HA  TYR   29  CG   7.00      QB  ARG+  25  HE   6.00  
NOEUPP  ARG+  25  QB  THR   26  HN   4.40      QB  TYR   29  CZ   8.00  
NOEUPP  ARG+  25 2HG  ARG+  25  HE   3.20     2HG  TYR   29  CG   7.00  
NOEUPP  ARG+  25 3HG  ARG+  25  HE   3.20     3HG  TYR   29  CG   7.00  
NOEUPP  ARG+  25  QG  ARG+  25  HE   2.93      QG  THR   26  HN   4.68  
NOEUPP  ARG+  25  QG  TYR   29  CZ   7.88     2HD  TYR   29  CZ   7.00  
NOEUPP  ARG+  25 3HD  TYR   29  CZ   7.00      QD  TYR   29  CZ   6.65  
NOEUPP  ARG+  25  HE  TYR   29  CZ   7.00                               
NOEUPP  THR   26  HN  THR   26  HB   2.80      HN  GLY   27  HN   3.40  
NOEUPP  THR   26  HN  TYR   29  CG   7.00      HA  THR   26  QG2  3.40  
NOEUPP  THR   26  HA  TYR   29  HN   3.90      HA  TYR   29 2HB   3.30  
NOEUPP  THR   26  HA  TYR   29 3HB   4.00      HA  TYR   29  CG   6.20  
NOEUPP  THR   26  HB  GLY   27  HN   3.00      QG2 GLY   27  HN   4.50  
NOEUPP  THR   26  QG2 TYR   29  CG   8.00      QG2 MET   30  HN   6.00  
NOEUPP  THR   26  QG2 MET   30  QB   6.18      QG2 MET   30 2HG   4.40  
NOEUPP  THR   26  QG2 MET   30 3HG   4.40      QG2 MET   30  QG   4.21  
NOEUPP  GLY   27  HN  GLY   27  QA   2.64      HN  CYSS  28  HN   3.20  
NOEUPP  GLY   27  QA  MET   30  QB   4.55                               
NOEUPP  CYSS  28  HN  CYSS  28 2HB   2.80      HN  CYSS  28 3HB   2.80  
NOEUPP  CYSS  28  HN  TYR   29  HN   3.10      HA  CYSS  28 2HB   2.80  
NOEUPP  CYSS  28  HA  TYR   31 3HB   3.50     2HB  TYR   29  HN   3.60  
NOEUPP  CYSS  28 3HB  TYR   29  HN   2.90                               
NOEUPP  TYR   29  HN  TYR   29 2HB   3.00      HN  TYR   29 3HB   3.00  
NOEUPP  TYR   29  HN  MET   30  HN   3.10      HN  MET   30  QG   5.88  
NOEUPP  TYR   29  HA  TYR   29 3HB   3.00      HA  TYR   29  CZ   5.60  
NOEUPP  TYR   29  HA  ILE   32  HN   5.00      HA  ILE   32  QG1  5.28  
NOEUPP  TYR   29  HA  ILE   32  QD1  5.00      HA  TYR   33  HN   3.90  
NOEUPP  TYR   29 3HB  MET   30  HN   3.30     3HB  TYR   33  CG   7.00  
NOEUPP  TYR   29 3HB  TYR   33  CZ   7.00      CG  MET   30  HN   7.00  
NOEUPP  TYR   29  CG  ILE   32  QG2  8.00      CG  ILE   32  QD1  8.00  
NOEUPP  TYR   29  CG  TYR   33  CZ   9.00                               
NOEUPP  MET   30  HN  MET   30  QB   3.50      HN  MET   30 2HG   3.50  
NOEUPP  MET   30  HN  MET   30 3HG   3.50      HN  TYR   31  HN   3.30  
NOEUPP  MET   30  HN  TYR   33  CG   7.00      HA  MET   30 2HG   4.00  
NOEUPP  MET   30  HA  MET   30 3HG   4.00      HA  MET   30  QG   3.65  
NOEUPP  MET   30  HA  TYR   33  HN   3.80      HA  TYR   33 2HB   3.80  
NOEUPP  MET   30  HA  TYR   33 3HB   3.20      HA  TYR   33  CG   6.40  
NOEUPP  MET   30  HA  TYR   33  CZ   7.00      QB  TYR   31  HN   4.28  
NOEUPP  MET   30  QB  TYR   33  CG   7.88      QB  TYR   33  CZ   7.88  
NOEUPP  MET   30  QG  TYR   31  HN   5.88                               
NOEUPP  TYR   31  HA  SER   34  HN   3.50      HA  ASN   35 1HD2  2.90  
NOEUPP  TYR   31  HA  ASN   35 2HD2  4.40     2HB  ASN   35 1HD2  5.00  
NOEUPP  TYR   31  CG  ILE   32  HN   6.50      CG  ILE   32  HB   6.50  
NOEUPP  TYR   31  CG  ILE   32  QG2  8.00      CG  ILE   32  QG1  7.78  
NOEUPP  TYR   31  CG  ILE   32  QD1  7.80      CG  TYR   33 3HB   7.00  
NOEUPP  TYR   31  CG  ASN   35 2HB   7.00      CG  ASN   35 3HB   7.00  
NOEUPP  TYR   31  CG  ASN   35 1HD2  7.00      CZ  ASN   35 2HB   7.00  
NOEUPP  TYR   31  CZ  ASN   35 3HB   7.00                               
NOEUPP  ILE   32  HN  ILE   32  QG2  4.60      HN  ILE   32  QG1  4.18  
NOEUPP  ILE   32  HN  ILE   32  QD1  5.10      HN  TYR   33  HN   3.10  
NOEUPP  ILE   32  HA  ILE   32  QG1  3.46      HA  TYR   39  CG   7.00  
NOEUPP  ILE   32  HB  ILE   32  QD1  3.40      QG2 TYR   33  HN   4.70  
NOEUPP  ILE   32  QG2 TYR   33  HA   5.00      QG2 TYR   33  CG   7.50  
NOEUPP  ILE   32  QG2 CYSS  36  HN   5.60      QG2 CYSS  36 2HB   3.40  
NOEUPP  ILE   32  QG2 CYSS  36 3HB   4.30      QG2 TYR   39  CG   6.70  
NOEUPP  ILE   32  QG2 TYR   39  CZ   6.30      QG1 TYR   33  HN   5.88  
NOEUPP  ILE   32  QD1 TYR   33  HN   5.60                               
NOEUPP  TYR   33  HN  TYR   33 2HB   3.30      HN  TYR   33 3HB   2.80  
NOEUPP  TYR   33  HN  SER   34  HN   3.30      HN  ASN   35  HN   3.90  
NOEUPP  TYR   33  HA  CYSS  36  HN   4.70      HA  TYR   39  CG   5.10  
NOEUPP  TYR   33 2HB  SER   34  HN   4.10     3HB  SER   34  HN   3.60  
NOEUPP  TYR   33  CG  TYR   39  CG   9.00      CG  TYR   39  CZ   9.00  
NOEUPP  TYR   33  CZ  TYR   39  CG   9.00      CZ  TYR   39  CZ   9.00  
NOEUPP  SER   34  HN  SER   34 2HB   3.60      HN  SER   34 3HB   3.60  
NOEUPP  SER   34  HN  SER   34  QB   3.34      HN  ASN   35  HN   2.80  
NOEUPP  SER   34  HN  CYSS  36  HN   4.00     2HB  ASN   35  HN   4.10  
NOEUPP  SER   34 2HB  ASN   35 1HD2  4.60     2HB  ASN   35 2HD2  4.70  
NOEUPP  SER   34 3HB  ASN   35  HN   4.10     3HB  ASN   35 1HD2  4.60  
NOEUPP  SER   34 3HB  ASN   35 2HD2  4.70      QB  ASN   35  HN   3.90  
NOEUPP  SER   34  QB  ASN   35 1HD2  4.17      QB  ASN   35 2HD2  4.52  
NOEUPP  ASN   35  HN  ASN   35 2HB   2.90      HN  ASN   35 3HB   3.60  
NOEUPP  ASN   35  HN  ASN   35 1HD2  3.80      HN  ASN   35 2HD2  5.00  
NOEUPP  ASN   35  HN  CYSS  36  HN   2.70      HN  VAL   40  QQG  7.56  
NOEUPP  ASN   35  HA  ASN   35 3HB   2.80      HA  VAL   40  HN   5.00  
NOEUPP  ASN   35  HA  VAL   40  QG1  6.00      HA  VAL   40  QG2  6.00  
NOEUPP  ASN   35 2HB  ASN   35 1HD2  2.80     2HB  ASN   35 2HD2  4.00  
NOEUPP  ASN   35 2HB  CYSS  36  HN   3.40     3HB  CYSS  36  HN   3.90  
NOEUPP  CYSS  36  HN  CYSS  36 2HB   2.80      HN  CYSS  36 3HB   3.50  
NOEUPP  CYSS  36  HN  PRO   37  QD   4.88      HN  TYR   39  QB   5.58  
NOEUPP  CYSS  36  HN  TYR   39  CG   7.00      HN  VAL   40  QQG  6.26  
NOEUPP  CYSS  36  HA  CYSS  36 3HB   2.90      HA  PRO   37 2HG   5.00  
NOEUPP  CYSS  36  HA  PRO   37 3HG   5.00      HA  PRO   37 2HD   2.70  
NOEUPP  CYSS  36  HA  PRO   37 3HD   2.70      HA  PRO   37  QD   2.45  
NOEUPP  CYSS  36  HA  VAL   40  QG1  6.00      HA  VAL   40  QG2  6.00  
NOEUPP  CYSS  36  HA  VAL   40  QQG  5.35     2HB  TYR   39  CG   6.60  
NOEUPP  CYSS  36 2HB  TYR   39  CZ   7.00     3HB  PRO   37 2HD   4.50  
NOEUPP  CYSS  36 3HB  PRO   37 3HD   4.50     3HB  PRO   37  QD   3.85  
NOEUPP  CYSS  36 3HB  TYR   39  CG   7.00                               
NOEUPP  PRO   37  HA  PRO   38  HA   2.60      HA  VAL   40  QG1  6.00  
NOEUPP  PRO   37  HA  VAL   40  QG2  6.00     2HB  PRO   38  HA   3.40  
NOEUPP  PRO   37 3HB  PRO   38  HA   3.40      QD  VAL   40  QQG  8.04  
NOEUPP  PRO   38  QG  TYR   39  HN   5.37      QG  TYR   39  CG   7.88  
NOEUPP  PRO   38 2HD  TYR   39  CZ   7.00     3HD  TYR   39  CZ   7.00  
NOEUPP  PRO   38  QD  TYR   39  HN   4.88      QD  TYR   39  CG   7.88  
NOEUPP  PRO   38  QD  TYR   39  CZ   6.80                               
NOEUPP  TYR   39  HN  TYR   39  QB   3.84      HN  TYR   39  CZ   6.00  
NOEUPP  TYR   39  HN  VAL   40  HN   3.10      HN  VAL   40  QQG  7.56  
NOEUPP  TYR   39 2HB  VAL   40  HN   3.90     3HB  VAL   40  HN   3.90  
NOEUPP  TYR   39  QB  VAL   40  HN   3.50      QB  VAL   40  QQG  8.44  
NOEUPP  TYR   39  CG  VAL   40  QQG  9.56      CZ  VAL   40  QQG  9.56  
NOEUPP  VAL   40  HN  VAL   40  QQG  4.06      HA  VAL   40  HB   2.90  
ANGLE   CYSS   3 PHI    -85.00  -35.00        CHI1   155.00  325.00     
ANGLE   GLU-   4 PHI    -75.00  195.00                                  
ANGLE   ILE    8 PHI    -75.00  -35.00                                  
ANGLE   GLN    9 PHI   -145.00  -65.00        CHI1   165.00  195.00     
ANGLE   CYSS  10 PHI     35.00  305.00        CHI1  -265.00   25.00     
ANGLE   VAL   11 PHI     55.00  225.00                                  
ANGLE   GLU-  12 PHI     75.00  305.00                                  
ANGLE   SER   13 PHI     85.00  325.00                                  
ANGLE   CYSS  15 PHI    -75.00  -45.00        CHI1   -95.00  -45.00     
ANGLE   GLU-  16 PHI     35.00  315.00                                  
ANGLE   SER   17 PHI     45.00  295.00                                  
ANGLE   LEU   18 PHI     45.00  285.00        CHI1   105.00  315.00     
ANGLE   CYSS  19 PHI   -145.00  -85.00        CHI1   -75.00  -35.00     
ANGLE   THR   20 PHI    165.00  315.00                                  
ANGLE   GLU-  21 PHI     85.00  325.00                                  
ANGLE   GLU-  23 PHI    -75.00  195.00                                  
ANGLE   ASP-  24 PHI    -85.00  -45.00                                  
ANGLE   ARG+  25 PHI     35.00  315.00                                  
ANGLE   THR   26 PHI    -75.00  -35.00                                  
ANGLE   CYSS  28 PHI    -85.00  -45.00        CHI1   145.00  185.00     
ANGLE   TYR   29 PHI    -85.00  -35.00        CHI1   165.00  225.00     
ANGLE   MET   30 PHI   -175.00  -35.00        CHI1   145.00  335.00     
ANGLE   TYR   31 PHI     35.00  315.00        CHI1   145.00  335.00     
ANGLE   ILE   32 PHI    -75.00  195.00                                  
ANGLE   TYR   33 PHI    -75.00  -35.00        CHI1   155.00  185.00     
ANGLE   SER   34 PHI   -165.00  -75.00                                  
ANGLE   ASN   35 PHI   -155.00  -85.00        CHI1   165.00  315.00     
ANGLE   CYSS  36 PHI   -155.00  -75.00        CHI1   165.00  315.00     
ANGLE   TYR   39 PHI    175.00  305.00        CHI1   155.00  325.00     
END                                                                    

	  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  270 H/Q atoms
  Start of MODEL    1
    1   1H    ASP   1          1HN       ASP   1  -7.924   2.950  11.438
    2   2H    ASP   1          2HN       ASP   1  -8.284   4.550  11.288
    3   3H    ASP   1          3HN       ASP   1  -9.439   3.443  10.936
    4    HA   ASP   1           HA       ASP   1  -8.457   2.761   9.016
    5   1HB   ASP   1          2HB       ASP   1  -7.744   4.874   7.755
    6   2HB   ASP   1          3HB       ASP   1  -9.350   4.874   8.460
    7    H    ALA   2           HN       ALA   2  -6.766   2.525   7.646
    8    HA   ALA   2           HA       ALA   2  -4.042   2.837   8.737
    9   1HB   ALA   2          2HB       ALA   2  -4.942   1.000  10.140
   10   2HB   ALA   2          3HB       ALA   2  -5.332   0.110   8.667
   11   3HB   ALA   2          1HB       ALA   2  -3.627   0.471   9.073
   12    H    CYS   3           HN       CYS   3  -6.178   1.449   6.219
   13    HA   CYS   3           HA       CYS   3  -4.345   0.105   4.656
   14   1HB   CYS   3          2HB       CYS   3  -6.662   0.254   4.079
   15   2HB   CYS   3          3HB       CYS   3  -6.581   1.985   3.819
   16    H    GLU   4           HN       GLU   4  -5.122   3.496   4.037
   17    HA   GLU   4           HA       GLU   4  -2.816   4.011   2.465
   18   1HB   GLU   4          2HB       GLU   4  -3.297   6.404   2.843
   19   2HB   GLU   4          3HB       GLU   4  -4.727   5.448   2.463
   20   1HG   GLU   4          2HG       GLU   4  -5.544   6.785   4.124
   21   2HG   GLU   4          3HG       GLU   4  -5.154   5.344   5.051
   22    H    GLN   5           HN       GLN   5  -3.146   4.320   5.989
   23    HA   GLN   5           HA       GLN   5  -0.638   5.346   6.639
   24   1HB   GLN   5          2HB       GLN   5  -2.656   4.749   8.149
   25   2HB   GLN   5          3HB       GLN   5  -1.949   3.117   8.190
   26   1HG   GLN   5          2HG       GLN   5   0.092   3.967   9.212
   27   2HG   GLN   5          3HG       GLN   5  -0.575   5.605   9.197
   28   1HE2  GLN   5          2HE2      GLN   5  -2.259   5.079  12.268
   29   2HE2  GLN   5          1HE2      GLN   5  -1.407   6.161  11.188
   30    H    ALA   6           HN       ALA   6  -1.516   2.019   5.648
   31    HA   ALA   6           HA       ALA   6   0.916   0.708   6.352
   32   1HB   ALA   6          1HB       ALA   6  -1.226  -0.384   5.603
   33   2HB   ALA   6          2HB       ALA   6  -0.838   0.109   3.936
   34   3HB   ALA   6          3HB       ALA   6   0.233  -0.946   4.793
   35    H    ALA   7           HN       ALA   7  -0.169   2.368   3.391
   36    HA   ALA   7           HA       ALA   7   2.280   1.960   1.977
   37   1HB   ALA   7          3HB       ALA   7  -0.223   3.536   1.544
   38   2HB   ALA   7          1HB       ALA   7   1.225   3.965   0.595
   39   3HB   ALA   7          2HB       ALA   7   0.591   2.326   0.548
   40    H    ILE   8           HN       ILE   8   1.242   4.489   4.118
   41    HA   ILE   8           HA       ILE   8   3.442   6.262   3.787
   42    HB   ILE   8           HB       ILE   8   1.343   5.699   5.764
   43   1HG1  ILE   8          2HG1      ILE   8   1.534   8.171   6.107
   44   2HG1  ILE   8          3HG1      ILE   8   2.874   8.156   4.929
   45   1HG2  ILE   8          2HG2      ILE   8   3.945   6.621   6.957
   46   2HG2  ILE   8          3HG2      ILE   8   2.333   6.652   7.727
   47   3HG2  ILE   8          1HG2      ILE   8   3.067   5.105   7.321
   48   1HD1  ILE   8          2HD1      ILE   8   0.053   7.109   4.462
   49   2HD1  ILE   8          3HD1      ILE   8   0.706   8.634   3.827
   50   3HD1  ILE   8          1HD1      ILE   8   1.377   7.103   3.268
   51    H    GLN   9           HN       GLN   9   3.230   3.127   5.442
   52    HA   GLN   9           HA       GLN   9   5.819   3.466   6.675
   53   1HB   GLN   9          2HB       GLN   9   3.893   2.131   7.582
   54   2HB   GLN   9          3HB       GLN   9   4.207   0.925   6.385
   55   1HG   GLN   9          2HG       GLN   9   5.107   0.528   8.640
   56   2HG   GLN   9          3HG       GLN   9   6.329   0.404   7.349
   57   1HE2  GLN   9          2HE2      GLN   9   8.378   2.985   8.604
   58   2HE2  GLN   9          1HE2      GLN   9   7.859   2.214   7.116
   59    H    CYS  10           HN       CYS  10   4.890   2.739   3.475
   60    HA   CYS  10           HA       CYS  10   6.154   2.287   1.663
   61   1HB   CYS  10          2HB       CYS  10   7.668   3.819   3.208
   62   2HB   CYS  10          3HB       CYS  10   8.676   2.385   3.314
   63    H    VAL  11           HN       VAL  11   4.960   0.134   2.672
   64    HA   VAL  11           HA       VAL  11   6.852  -2.119   2.414
   65    HB   VAL  11           HB       VAL  11   4.803  -2.858   4.202
   66   1HG1  VAL  11          3HG1      VAL  11   6.934  -4.022   3.980
   67   2HG1  VAL  11          1HG1      VAL  11   7.775  -2.607   4.633
   68   3HG1  VAL  11          2HG1      VAL  11   6.650  -3.519   5.655
   69   1HG2  VAL  11          1HG2      VAL  11   4.737  -0.494   4.856
   70   2HG2  VAL  11          2HG2      VAL  11   5.374  -1.539   6.159
   71   3HG2  VAL  11          3HG2      VAL  11   6.506  -0.579   5.179
   72    H    GLU  12           HN       GLU  12   6.017  -3.097   0.528
   73    HA   GLU  12           HA       GLU  12   3.373  -2.744  -0.498
   74   1HB   GLU  12          2HB       GLU  12   5.507  -4.858  -0.964
   75   2HB   GLU  12          3HB       GLU  12   3.924  -4.953  -1.722
   76   1HG   GLU  12          2HG       GLU  12   4.225  -2.726  -2.756
   77   2HG   GLU  12          3HG       GLU  12   5.811  -2.572  -1.972
   78    H    SER  13           HN       SER  13   4.761  -5.228   1.503
   79    HA   SER  13           HA       SER  13   2.386  -6.783   1.710
   80   1HB   SER  13          2HB       SER  13   4.453  -6.519   3.925
   81   2HB   SER  13          3HB       SER  13   3.456  -7.940   3.559
   82    HG   SER  13           HG       SER  13   5.567  -6.856   1.959
   83    H    ALA  14           HN       ALA  14   3.185  -3.783   3.299
   84    HA   ALA  14           HA       ALA  14   1.436  -4.246   5.563
   85   1HB   ALA  14          3HB       ALA  14   3.231  -2.590   5.671
   86   2HB   ALA  14          1HB       ALA  14   2.394  -1.592   4.453
   87   3HB   ALA  14          2HB       ALA  14   1.656  -1.927   6.045
   88    H    CYS  15           HN       CYS  15   1.099  -2.626   2.278
   89    HA   CYS  15           HA       CYS  15  -1.713  -1.964   2.717
   90   1HB   CYS  15          2HB       CYS  15  -0.102  -2.719   0.172
   91   2HB   CYS  15          3HB       CYS  15  -1.731  -2.052   0.170
   92    H    GLU  16           HN       GLU  16   0.060  -4.818   1.415
   93    HA   GLU  16           HA       GLU  16  -2.210  -6.175   0.549
   94   1HB   GLU  16          2HB       GLU  16   0.368  -6.713   0.333
   95   2HB   GLU  16          3HB       GLU  16   0.087  -7.736   1.752
   96   1HG   GLU  16          2HG       GLU  16  -1.709  -8.920   0.503
   97   2HG   GLU  16          3HG       GLU  16  -1.451  -7.831  -0.884
   98    H    SER  17           HN       SER  17  -0.677  -6.389   3.793
   99    HA   SER  17           HA       SER  17  -2.597  -8.230   4.871
  100   1HB   SER  17          2HB       SER  17  -1.628  -7.475   7.071
  101   2HB   SER  17          3HB       SER  17  -0.466  -8.040   5.864
  102    HG   SER  17           HG       SER  17   0.111  -5.956   5.399
  103    H    LEU  18           HN       LEU  18  -2.344  -4.668   4.947
  104    HA   LEU  18           HA       LEU  18  -4.596  -4.340   6.681
  105   1HB   LEU  18          2HB       LEU  18  -2.927  -2.519   4.909
  106   2HB   LEU  18          3HB       LEU  18  -4.508  -1.977   5.403
  107    HG   LEU  18           HG       LEU  18  -3.032  -1.007   6.692
  108   1HD1  LEU  18          3HD1      LEU  18  -5.236  -1.861   7.738
  109   2HD1  LEU  18          1HD1      LEU  18  -4.348  -3.230   8.416
  110   3HD1  LEU  18          2HD1      LEU  18  -3.967  -1.648   8.984
  111   1HD2  LEU  18          3HD2      LEU  18  -1.093  -2.422   6.840
  112   2HD2  LEU  18          1HD2      LEU  18  -1.656  -1.965   8.456
  113   3HD2  LEU  18          2HD2      LEU  18  -1.994  -3.601   7.842
  114    H    CYS  19           HN       CYS  19  -4.233  -3.502   3.234
  115    HA   CYS  19           HA       CYS  19  -6.938  -2.585   3.241
  116   1HB   CYS  19          2HB       CYS  19  -4.940  -2.965   1.011
  117   2HB   CYS  19          3HB       CYS  19  -6.445  -1.996   0.842
  118    H    THR  20           HN       THR  20  -8.615  -3.620   1.946
  119    HA   THR  20           HA       THR  20  -8.422  -6.473   2.024
  120    HB   THR  20           HB       THR  20 -10.566  -4.769   0.789
  121    HG1  THR  20          1HG       THR  20  -9.929  -5.864   3.326
  122   1HG2  THR  20          3HG2      THR  20 -10.473  -7.725   1.538
  123   2HG2  THR  20          1HG2      THR  20 -11.939  -6.835   1.063
  124   3HG2  THR  20          2HG2      THR  20 -10.624  -7.056  -0.098
  125    H    GLU  21           HN       GLU  21  -9.372  -4.957  -1.105
  126    HA   GLU  21           HA       GLU  21  -7.142  -5.291  -2.609
  127   1HB   GLU  21          2HB       GLU  21  -7.088  -7.692  -2.108
  128   2HB   GLU  21          3HB       GLU  21  -8.752  -7.894  -2.659
  129   1HG   GLU  21          2HG       GLU  21  -8.037  -7.677  -4.918
  130   2HG   GLU  21          3HG       GLU  21  -6.556  -6.817  -4.450
  131    H    GLY  22           HN       GLY  22  -7.587  -4.828  -4.863
  132   1HA   GLY  22          1HA       GLY  22  -8.820  -4.351  -6.700
  133   2HA   GLY  22          2HA       GLY  22 -10.238  -5.084  -5.934
  134    H    GLU  23           HN       GLU  23  -8.145  -2.357  -5.178
  135    HA   GLU  23           HA       GLU  23  -8.796  -0.087  -5.845
  136   1HB   GLU  23          2HB       GLU  23 -11.274  -0.467  -5.821
  137   2HB   GLU  23          3HB       GLU  23 -11.194  -0.507  -4.049
  138   1HG   GLU  23          2HG       GLU  23 -11.676   1.682  -4.278
  139   2HG   GLU  23          3HG       GLU  23  -9.932   1.886  -4.544
  140    H    ASP  24           HN       ASP  24  -9.674  -1.518  -2.657
  141    HA   ASP  24           HA       ASP  24  -8.625   0.556  -1.075
  142   1HB   ASP  24          2HB       ASP  24 -10.014  -1.584  -0.390
  143   2HB   ASP  24          3HB       ASP  24  -8.525  -2.421  -0.302
  144    NH1  ARG  25           NH2      ARG  25  -3.770  -8.715  -1.698
  145    NH2  ARG  25           NH1      ARG  25  -4.512  -8.980   0.442
  146    H    ARG  25           HN       ARG  25  -7.159  -2.565  -1.907
  147    HA   ARG  25           HA       ARG  25  -4.527  -1.897  -1.018
  148   1HB   ARG  25          2HB       ARG  25  -5.511  -3.842  -3.165
  149   2HB   ARG  25          3HB       ARG  25  -3.798  -3.584  -2.840
  150   1HG   ARG  25          2HG       ARG  25  -4.062  -4.220  -0.496
  151   2HG   ARG  25          3HG       ARG  25  -5.797  -4.520  -0.772
  152   1HD   ARG  25          2HD       ARG  25  -5.052  -6.251  -2.517
  153   2HD   ARG  25          3HD       ARG  25  -3.387  -5.958  -1.979
  154    HE   ARG  25           HE       ARG  25  -5.205  -6.539   0.214
  155   1HH1  ARG  25          2HH2      ARG  25  -3.601  -8.170  -2.542
  156   2HH1  ARG  25          1HH2      ARG  25  -3.514  -9.702  -1.674
  157   1HH2  ARG  25          2HH1      ARG  25  -4.900  -8.613   1.307
  158   2HH2  ARG  25          1HH1      ARG  25  -4.190  -9.945   0.377
  159    H    THR  26           HN       THR  26  -6.006  -1.708  -4.375
  160    HA   THR  26           HA       THR  26  -3.826  -0.976  -5.688
  161    HB   THR  26           HB       THR  26  -6.411   0.478  -6.202
  162    HG1  THR  26          1HG       THR  26  -5.979  -2.316  -6.310
  163   1HG2  THR  26          1HG2      THR  26  -4.377   0.628  -7.733
  164   2HG2  THR  26          2HG2      THR  26  -4.533  -1.105  -8.037
  165   3HG2  THR  26          3HG2      THR  26  -5.809   0.028  -8.548
  166    H    GLY  27           HN       GLY  27  -5.926   1.485  -3.982
  167   1HA   GLY  27          1HA       GLY  27  -4.403   3.738  -4.899
  168   2HA   GLY  27          2HA       GLY  27  -5.414   3.661  -3.437
  169    H    CYS  28           HN       CYS  28  -4.082   1.684  -2.040
  170    HA   CYS  28           HA       CYS  28  -2.015   3.156  -0.672
  171   1HB   CYS  28          2HB       CYS  28  -3.610   1.605   0.344
  172   2HB   CYS  28          3HB       CYS  28  -2.941   0.241  -0.529
  173    OH   TYR  29           OH       TYR  29   1.623  -6.556  -2.561
  174    H    TYR  29           HN       TYR  29  -2.074   0.252  -2.662
  175    HA   TYR  29           HA       TYR  29   0.681  -0.392  -2.384
  176   1HB   TYR  29          2HB       TYR  29  -1.726  -1.579  -3.319
  177   2HB   TYR  29          3HB       TYR  29  -0.753  -1.447  -4.750
  178    HD1  TYR  29           HD1      TYR  29   1.841  -2.394  -4.344
  179    HD2  TYR  29           HD2      TYR  29  -1.665  -3.457  -2.065
  180    HE1  TYR  29           HE1      TYR  29   2.820  -4.616  -3.772
  181    HE2  TYR  29           HE2      TYR  29  -0.725  -5.691  -1.631
  182    HH   TYR  29           HH       TYR  29   1.077  -7.165  -2.039
  183    H    MET  30           HN       MET  30  -1.233   1.139  -5.024
  184    HA   MET  30           HA       MET  30   0.803   1.668  -6.865
  185   1HB   MET  30          2HB       MET  30  -1.699   3.213  -6.191
  186   2HB   MET  30          3HB       MET  30  -0.579   3.706  -7.459
  187   1HG   MET  30          2HG       MET  30  -0.775   1.446  -8.524
  188   2HG   MET  30          3HG       MET  30  -2.034   1.047  -7.381
  189   1HE   MET  30          2HE       MET  30  -4.190   2.927  -7.171
  190   2HE   MET  30          3HE       MET  30  -3.216   4.371  -7.547
  191   3HE   MET  30          1HE       MET  30  -4.630   3.979  -8.543
  192    OH   TYR  31           OH       TYR  31   4.680   8.880   0.264
  193    H    TYR  31           HN       TYR  31   0.071   3.417  -3.809
  194    HA   TYR  31           HA       TYR  31   1.801   5.648  -4.410
  195   1HB   TYR  31          2HB       TYR  31   0.196   5.773  -2.540
  196   2HB   TYR  31          3HB       TYR  31   0.999   4.449  -1.722
  197    HD1  TYR  31           HD2      TYR  31   1.306   7.998  -2.639
  198    HD2  TYR  31           HD1      TYR  31   3.103   4.692  -0.524
  199    HE1  TYR  31           HE2      TYR  31   2.819   9.557  -1.457
  200    HE2  TYR  31           HE1      TYR  31   4.588   6.250   0.665
  201    HH   TYR  31           HH       TYR  31   5.181   8.468   0.984
  202    H    ILE  32           HN       ILE  32   2.365   2.725  -2.418
  203    HA   ILE  32           HA       ILE  32   5.111   3.146  -1.892
  204    HB   ILE  32           HB       ILE  32   3.696   0.493  -2.404
  205   1HG1  ILE  32          2HG1      ILE  32   3.960   2.081   0.187
  206   2HG1  ILE  32          3HG1      ILE  32   2.459   1.804  -0.721
  207   1HG2  ILE  32          2HG2      ILE  32   6.270   0.453  -2.269
  208   2HG2  ILE  32          3HG2      ILE  32   6.071   0.963  -0.575
  209   3HG2  ILE  32          1HG2      ILE  32   5.412  -0.572  -1.148
  210   1HD1  ILE  32          1HD1      ILE  32   2.796  -0.648  -0.499
  211   2HD1  ILE  32          2HD1      ILE  32   4.175  -0.272   0.572
  212   3HD1  ILE  32          3HD1      ILE  32   2.550   0.132   1.067
  213    OH   TYR  33           OH       TYR  33   2.742  -2.540 -11.229
  214    H    TYR  33           HN       TYR  33   3.478   1.484  -4.480
  215    HA   TYR  33           HA       TYR  33   5.642   0.416  -5.925
  216   1HB   TYR  33          2HB       TYR  33   3.263  -0.225  -5.878
  217   2HB   TYR  33          3HB       TYR  33   2.877   1.296  -6.695
  218    HD1  TYR  33           HD1      TYR  33   3.340   1.474  -9.180
  219    HD2  TYR  33           HD2      TYR  33   4.140  -2.109  -6.935
  220    HE1  TYR  33           HE1      TYR  33   2.898   0.102 -11.191
  221    HE2  TYR  33           HE2      TYR  33   3.490  -3.482  -8.887
  222    HH   TYR  33           HH       TYR  33   2.930  -3.479 -11.090
  223    H    SER  34           HN       SER  34   4.479   3.740  -5.794
  224    HA   SER  34           HA       SER  34   6.428   4.386  -7.967
  225   1HB   SER  34          2HB       SER  34   3.730   5.630  -7.269
  226   2HB   SER  34          3HB       SER  34   4.969   6.385  -8.272
  227    HG   SER  34           HG       SER  34   4.910   4.428  -9.578
  228    H    ASN  35           HN       ASN  35   6.084   4.481  -4.720
  229    HA   ASN  35           HA       ASN  35   7.639   7.066  -4.479
  230   1HB   ASN  35          2HB       ASN  35   5.694   5.720  -2.569
  231   2HB   ASN  35          3HB       ASN  35   6.885   6.902  -2.076
  232   1HD2  ASN  35          2HD2      ASN  35   3.699   8.188  -4.365
  233   2HD2  ASN  35          1HD2      ASN  35   4.227   6.510  -4.423
  234    H    CYS  36           HN       CYS  36   7.336   3.766  -3.167
  235    HA   CYS  36           HA       CYS  36   9.707   4.050  -1.522
  236   1HB   CYS  36          2HB       CYS  36   7.488   2.435  -1.411
  237   2HB   CYS  36          3HB       CYS  36   8.682   1.359  -2.175
  238    HA   PRO  37           HA       PRO  37  12.376   2.171  -4.734
  239   1HB   PRO  37          2HB       PRO  37  14.394   1.181  -3.184
  240   2HB   PRO  37          3HB       PRO  37  14.232   2.909  -3.614
  241   1HG   PRO  37          2HG       PRO  37  13.430   1.545  -1.058
  242   2HG   PRO  37          3HG       PRO  37  14.247   3.123  -1.266
  243   1HD   PRO  37          2HD       PRO  37  11.532   2.792  -0.834
  244   2HD   PRO  37          3HD       PRO  37  12.183   4.209  -1.702
  245    HA   PRO  38           HA       PRO  38  13.805   0.463  -5.455
  246   1HB   PRO  38          2HB       PRO  38  13.908  -1.763  -6.991
  247   2HB   PRO  38          3HB       PRO  38  14.496  -1.773  -5.309
  248   1HG   PRO  38          2HG       PRO  38  11.774  -2.651  -6.317
  249   2HG   PRO  38          3HG       PRO  38  12.920  -3.585  -5.298
  250   1HD   PRO  38          2HD       PRO  38  10.856  -2.115  -4.220
  251   2HD   PRO  38          3HD       PRO  38  12.430  -2.266  -3.402
  252    OH   TYR  39           OH       TYR  39   8.527  -4.175  -5.462
  253    H    TYR  39           HN       TYR  39  10.771   1.238  -5.667
  254    HA   TYR  39           HA       TYR  39  10.461   1.006  -8.625
  255   1HB   TYR  39          2HB       TYR  39   8.327   1.834  -6.656
  256   2HB   TYR  39          3HB       TYR  39   8.212   1.274  -8.330
  257    HD1  TYR  39           HD1      TYR  39   9.056  -1.165  -8.796
  258    HD2  TYR  39           HD2      TYR  39   8.088   0.311  -4.859
  259    HE1  TYR  39           HE1      TYR  39   9.017  -3.483  -7.918
  260    HE2  TYR  39           HE2      TYR  39   7.963  -2.012  -4.021
  261    HH   TYR  39           HH       TYR  39   8.006  -4.278  -4.647
  262    H    VAL  40           HN       VAL  40   9.519   3.368  -6.132
  263    HA   VAL  40           HA       VAL  40   9.456   5.602  -6.103
  264    HB   VAL  40           HB       VAL  40  11.978   5.843  -7.653
  265   1HG1  VAL  40          3HG1      VAL  40  10.864   7.800  -6.460
  266   2HG1  VAL  40          1HG1      VAL  40  11.159   6.956  -4.941
  267   3HG1  VAL  40          2HG1      VAL  40  12.525   7.479  -5.933
  268   1HG2  VAL  40          3HG2      VAL  40  11.789   4.583  -4.888
  269   2HG2  VAL  40          1HG2      VAL  40  12.523   3.847  -6.336
  270   3HG2  VAL  40          2HG2      VAL  40  13.283   5.236  -5.563
   
  Start of MODEL           2
 Raw file had  270 H/Q atoms
  Start of MODEL    2
    1   1H    ASP   1          2HN       ASP   1 -10.309   1.726   5.125
    2   2H    ASP   1          3HN       ASP   1 -10.788   3.095   4.297
    3   3H    ASP   1          1HN       ASP   1  -9.498   2.254   3.800
    4    HA   ASP   1           HA       ASP   1  -8.611   4.086   4.748
    5   1HB   ASP   1          2HB       ASP   1  -8.992   4.890   6.944
    6   2HB   ASP   1          3HB       ASP   1 -10.557   4.670   6.192
    7    H    ALA   2           HN       ALA   2  -7.199   3.899   7.104
    8    HA   ALA   2           HA       ALA   2  -5.488   3.014   8.147
    9   1HB   ALA   2          1HB       ALA   2  -7.130   1.151   8.621
   10   2HB   ALA   2          2HB       ALA   2  -6.333   0.237   7.314
   11   3HB   ALA   2          3HB       ALA   2  -5.400   0.785   8.732
   12    H    CYS   3           HN       CYS   3  -6.087   1.627   5.021
   13    HA   CYS   3           HA       CYS   3  -3.882   0.661   3.879
   14   1HB   CYS   3          2HB       CYS   3  -5.948   2.703   2.995
   15   2HB   CYS   3          3HB       CYS   3  -4.699   2.200   1.892
   16    H    GLU   4           HN       GLU   4  -4.459   4.184   4.204
   17    HA   GLU   4           HA       GLU   4  -2.042   5.075   3.002
   18   1HB   GLU   4          2HB       GLU   4  -3.677   6.229   5.273
   19   2HB   GLU   4          3HB       GLU   4  -2.354   7.111   4.502
   20   1HG   GLU   4          2HG       GLU   4  -3.417   7.359   2.454
   21   2HG   GLU   4          3HG       GLU   4  -4.483   5.978   2.682
   22    H    GLN   5           HN       GLN   5  -2.754   4.128   6.361
   23    HA   GLN   5           HA       GLN   5  -0.274   4.883   7.508
   24   1HB   GLN   5          2HB       GLN   5  -2.713   3.997   8.484
   25   2HB   GLN   5          3HB       GLN   5  -1.782   2.501   8.596
   26   1HG   GLN   5          2HG       GLN   5  -1.585   3.593  10.696
   27   2HG   GLN   5          3HG       GLN   5  -0.031   3.854   9.883
   28   1HE2  GLN   5          2HE2      GLN   5  -2.626   7.047  10.416
   29   2HE2  GLN   5          1HE2      GLN   5  -3.290   5.424  10.418
   30    H    ALA   6           HN       ALA   6  -1.325   1.894   5.914
   31    HA   ALA   6           HA       ALA   6   1.096   0.376   6.391
   32   1HB   ALA   6          1HB       ALA   6  -1.143   0.312   4.337
   33   2HB   ALA   6          2HB       ALA   6   0.363  -0.464   3.929
   34   3HB   ALA   6          3HB       ALA   6  -0.542  -0.965   5.373
   35    H    ALA   7           HN       ALA   7   0.023   2.377   3.650
   36    HA   ALA   7           HA       ALA   7   2.568   2.187   2.388
   37   1HB   ALA   7          3HB       ALA   7   0.035   3.740   1.822
   38   2HB   ALA   7          1HB       ALA   7   1.500   3.903   0.807
   39   3HB   ALA   7          2HB       ALA   7   0.712   2.337   0.996
   40    H    ILE   8           HN       ILE   8   1.580   4.429   4.842
   41    HA   ILE   8           HA       ILE   8   3.496   6.454   4.351
   42    HB   ILE   8           HB       ILE   8   1.865   5.387   6.628
   43   1HG1  ILE   8          2HG1      ILE   8   1.923   7.942   7.182
   44   2HG1  ILE   8          3HG1      ILE   8   2.583   8.135   5.558
   45   1HG2  ILE   8          2HG2      ILE   8   4.426   6.838   7.225
   46   2HG2  ILE   8          3HG2      ILE   8   3.078   6.532   8.355
   47   3HG2  ILE   8          1HG2      ILE   8   3.985   5.169   7.722
   48   1HD1  ILE   8          1HD1      ILE   8  -0.057   6.809   6.334
   49   2HD1  ILE   8          2HD1      ILE   8   0.126   8.441   5.703
   50   3HD1  ILE   8          3HD1      ILE   8   0.534   7.075   4.677
   51    H    GLN   9           HN       GLN   9   3.716   3.135   5.746
   52    HA   GLN   9           HA       GLN   9   6.411   3.701   6.714
   53   1HB   GLN   9          2HB       GLN   9   4.656   2.359   7.909
   54   2HB   GLN   9          3HB       GLN   9   4.932   1.072   6.743
   55   1HG   GLN   9          2HG       GLN   9   7.474   2.089   7.874
   56   2HG   GLN   9          3HG       GLN   9   6.347   1.665   9.137
   57   1HE2  GLN   9          2HE2      GLN   9   8.237  -1.259   7.025
   58   2HE2  GLN   9          1HE2      GLN   9   8.340   0.432   6.536
   59    H    CYS  10           HN       CYS  10   5.191   2.854   3.670
   60    HA   CYS  10           HA       CYS  10   6.284   2.424   1.732
   61   1HB   CYS  10          2HB       CYS  10   8.151   3.665   3.163
   62   2HB   CYS  10          3HB       CYS  10   8.959   2.103   3.078
   63    H    VAL  11           HN       VAL  11   4.973   0.276   2.960
   64    HA   VAL  11           HA       VAL  11   6.694  -2.057   2.407
   65    HB   VAL  11           HB       VAL  11   4.816  -2.862   4.206
   66   1HG1  VAL  11          2HG1      VAL  11   7.068  -3.808   3.936
   67   2HG1  VAL  11          3HG1      VAL  11   7.772  -2.322   4.619
   68   3HG1  VAL  11          1HG1      VAL  11   6.736  -3.355   5.615
   69   1HG2  VAL  11          3HG2      VAL  11   4.499  -0.536   4.865
   70   2HG2  VAL  11          1HG2      VAL  11   5.275  -1.518   6.146
   71   3HG2  VAL  11          2HG2      VAL  11   6.264  -0.412   5.154
   72    H    GLU  12           HN       GLU  12   5.776  -2.817   0.452
   73    HA   GLU  12           HA       GLU  12   3.067  -2.512  -0.402
   74   1HB   GLU  12          2HB       GLU  12   5.203  -4.566  -0.990
   75   2HB   GLU  12          3HB       GLU  12   3.562  -4.718  -1.646
   76   1HG   GLU  12          2HG       GLU  12   3.750  -2.590  -2.825
   77   2HG   GLU  12          3HG       GLU  12   5.381  -2.332  -2.164
   78    H    SER  13           HN       SER  13   4.649  -5.048   1.385
   79    HA   SER  13           HA       SER  13   2.419  -6.703   1.614
   80   1HB   SER  13          2HB       SER  13   4.515  -6.538   3.797
   81   2HB   SER  13          3HB       SER  13   3.651  -7.967   3.198
   82    HG   SER  13           HG       SER  13   4.827  -7.536   1.136
   83    H    ALA  14           HN       ALA  14   3.092  -3.765   3.396
   84    HA   ALA  14           HA       ALA  14   1.270  -4.389   5.563
   85   1HB   ALA  14          1HB       ALA  14   2.939  -2.637   5.857
   86   2HB   ALA  14          2HB       ALA  14   2.152  -1.658   4.597
   87   3HB   ALA  14          3HB       ALA  14   1.293  -2.062   6.106
   88    H    CYS  15           HN       CYS  15   0.941  -2.645   2.356
   89    HA   CYS  15           HA       CYS  15  -1.875  -2.128   2.651
   90   1HB   CYS  15          2HB       CYS  15  -0.252  -2.875   0.130
   91   2HB   CYS  15          3HB       CYS  15  -1.832  -2.111   0.165
   92    H    GLU  16           HN       GLU  16  -0.049  -4.866   1.226
   93    HA   GLU  16           HA       GLU  16  -2.049  -6.393   0.141
   94   1HB   GLU  16          2HB       GLU  16   0.411  -6.841   0.055
   95   2HB   GLU  16          3HB       GLU  16   0.318  -7.346   1.751
   96   1HG   GLU  16          2HG       GLU  16   0.448  -9.313   0.616
   97   2HG   GLU  16          3HG       GLU  16  -1.265  -9.180   1.033
   98    H    SER  17           HN       SER  17  -1.143  -6.271   3.578
   99    HA   SER  17           HA       SER  17  -3.253  -8.234   4.263
  100   1HB   SER  17          2HB       SER  17  -2.181  -8.037   6.544
  101   2HB   SER  17          3HB       SER  17  -1.201  -8.724   5.244
  102    HG   SER  17           HG       SER  17  -0.208  -6.665   4.953
  103    H    LEU  18           HN       LEU  18  -2.480  -4.826   4.666
  104    HA   LEU  18           HA       LEU  18  -4.386  -4.306   6.758
  105   1HB   LEU  18          2HB       LEU  18  -2.243  -3.162   6.540
  106   2HB   LEU  18          3HB       LEU  18  -2.758  -2.445   4.995
  107    HG   LEU  18           HG       LEU  18  -4.379  -1.116   5.987
  108   1HD1  LEU  18          1HD1      LEU  18  -3.752  -2.717   8.538
  109   2HD1  LEU  18          2HD1      LEU  18  -4.643  -1.213   8.628
  110   3HD1  LEU  18          3HD1      LEU  18  -5.350  -2.567   7.770
  111   1HD2  LEU  18          2HD2      LEU  18  -1.747  -1.118   7.504
  112   2HD2  LEU  18          3HD2      LEU  18  -2.354  -0.030   6.216
  113   3HD2  LEU  18          1HD2      LEU  18  -2.995   0.091   7.845
  114    H    CYS  19           HN       CYS  19  -4.336  -3.777   3.228
  115    HA   CYS  19           HA       CYS  19  -6.956  -2.398   3.317
  116   1HB   CYS  19          2HB       CYS  19  -5.111  -3.206   1.053
  117   2HB   CYS  19          3HB       CYS  19  -6.639  -2.344   0.784
  118    H    THR  20           HN       THR  20  -8.623  -3.386   1.749
  119    HA   THR  20           HA       THR  20  -8.815  -6.289   2.057
  120    HB   THR  20           HB       THR  20 -10.499  -4.473   0.304
  121    HG1  THR  20          1HG       THR  20 -10.538  -4.334   2.758
  122   1HG2  THR  20          3HG2      THR  20 -10.451  -6.978  -0.348
  123   2HG2  THR  20          1HG2      THR  20 -10.881  -7.340   1.319
  124   3HG2  THR  20          2HG2      THR  20 -12.005  -6.480   0.254
  125    H    GLU  21           HN       GLU  21  -9.402  -5.081  -1.212
  126    HA   GLU  21           HA       GLU  21  -6.969  -5.632  -2.473
  127   1HB   GLU  21          2HB       GLU  21  -7.522  -7.953  -1.444
  128   2HB   GLU  21          3HB       GLU  21  -8.904  -8.007  -2.504
  129   1HG   GLU  21          2HG       GLU  21  -7.571  -8.249  -4.389
  130   2HG   GLU  21          3HG       GLU  21  -6.183  -7.422  -3.686
  131    H    GLY  22           HN       GLY  22  -7.312  -5.415  -4.774
  132   1HA   GLY  22          1HA       GLY  22  -8.525  -5.662  -6.743
  133   2HA   GLY  22          2HA       GLY  22 -10.055  -5.524  -5.869
  134    H    GLU  23           HN       GLU  23  -8.739  -3.296  -4.329
  135    HA   GLU  23           HA       GLU  23  -8.788  -0.973  -6.073
  136   1HB   GLU  23          2HB       GLU  23 -11.358  -2.106  -5.432
  137   2HB   GLU  23          3HB       GLU  23 -11.169  -0.699  -4.394
  138   1HG   GLU  23          2HG       GLU  23 -12.154   0.225  -6.267
  139   2HG   GLU  23          3HG       GLU  23 -10.461   0.574  -6.556
  140    H    ASP  24           HN       ASP  24  -9.779  -2.096  -2.773
  141    HA   ASP  24           HA       ASP  24  -8.964   0.180  -1.395
  142   1HB   ASP  24          2HB       ASP  24 -10.182  -1.995  -0.530
  143   2HB   ASP  24          3HB       ASP  24  -8.608  -2.659  -0.320
  144    NH1  ARG  25           NH2      ARG  25  -3.743  -8.878  -1.315
  145    NH2  ARG  25           NH1      ARG  25  -5.611  -8.833   0.045
  146    H    ARG  25           HN       ARG  25  -7.179  -2.825  -2.018
  147    HA   ARG  25           HA       ARG  25  -4.690  -1.990  -1.028
  148   1HB   ARG  25          2HB       ARG  25  -5.420  -3.970  -3.230
  149   2HB   ARG  25          3HB       ARG  25  -3.730  -3.530  -2.952
  150   1HG   ARG  25          2HG       ARG  25  -3.866  -4.151  -0.590
  151   2HG   ARG  25          3HG       ARG  25  -5.577  -4.565  -0.810
  152   1HD   ARG  25          2HD       ARG  25  -4.635  -6.265  -2.607
  153   2HD   ARG  25          3HD       ARG  25  -3.090  -6.022  -1.803
  154    HE   ARG  25           HE       ARG  25  -5.277  -6.462   0.064
  155   1HH1  ARG  25          2HH2      ARG  25  -2.927  -8.369  -1.652
  156   2HH1  ARG  25          1HH2      ARG  25  -3.730  -9.897  -1.353
  157   1HH2  ARG  25          2HH1      ARG  25  -6.334  -8.268   0.492
  158   2HH2  ARG  25          1HH1      ARG  25  -5.790  -9.822  -0.129
  159    H    THR  26           HN       THR  26  -5.993  -1.773  -4.424
  160    HA   THR  26           HA       THR  26  -3.923  -0.807  -5.699
  161    HB   THR  26           HB       THR  26  -6.717   0.324  -6.093
  162    HG1  THR  26          1HG       THR  26  -6.779  -1.557  -7.501
  163   1HG2  THR  26          2HG2      THR  26  -4.419  -0.095  -8.039
  164   2HG2  THR  26          3HG2      THR  26  -6.055   0.483  -8.416
  165   3HG2  THR  26          1HG2      THR  26  -4.997   1.467  -7.420
  166    H    GLY  27           HN       GLY  27  -6.081   1.517  -3.941
  167   1HA   GLY  27          1HA       GLY  27  -4.622   3.823  -4.623
  168   2HA   GLY  27          2HA       GLY  27  -5.547   3.628  -3.121
  169    H    CYS  28           HN       CYS  28  -4.089   1.546  -1.954
  170    HA   CYS  28           HA       CYS  28  -2.008   3.023  -0.580
  171   1HB   CYS  28          2HB       CYS  28  -3.544   1.406   0.399
  172   2HB   CYS  28          3HB       CYS  28  -2.848   0.078  -0.493
  173    OH   TYR  29           OH       TYR  29   0.692  -6.819  -3.346
  174    H    TYR  29           HN       TYR  29  -2.169   0.306  -2.815
  175    HA   TYR  29           HA       TYR  29   0.577  -0.502  -2.536
  176   1HB   TYR  29          2HB       TYR  29  -1.847  -1.504  -3.711
  177   2HB   TYR  29          3HB       TYR  29  -0.776  -1.237  -5.059
  178    HD1  TYR  29           HD2      TYR  29  -1.380  -3.049  -1.974
  179    HD2  TYR  29           HD1      TYR  29   1.161  -2.793  -5.439
  180    HE1  TYR  29           HE2      TYR  29  -0.736  -5.407  -1.661
  181    HE2  TYR  29           HE1      TYR  29   1.761  -5.186  -5.154
  182    HH   TYR  29           HH       TYR  29   0.102  -7.227  -2.688
  183    H    MET  30           HN       MET  30  -1.294   1.238  -5.031
  184    HA   MET  30           HA       MET  30   0.608   1.992  -6.891
  185   1HB   MET  30          2HB       MET  30  -1.779   3.446  -5.739
  186   2HB   MET  30          3HB       MET  30  -0.797   4.120  -7.034
  187   1HG   MET  30          2HG       MET  30  -1.950   1.344  -7.299
  188   2HG   MET  30          3HG       MET  30  -2.910   2.771  -7.683
  189   1HE   MET  30          2HE       MET  30  -2.526   4.343  -9.693
  190   2HE   MET  30          3HE       MET  30  -0.918   4.798  -9.089
  191   3HE   MET  30          1HE       MET  30  -1.113   4.280 -10.764
  192    OH   TYR  31           OH       TYR  31   3.346   9.577   0.490
  193    H    TYR  31           HN       TYR  31  -0.104   3.546  -3.719
  194    HA   TYR  31           HA       TYR  31   1.566   5.797  -4.038
  195   1HB   TYR  31          2HB       TYR  31  -0.090   5.334  -2.189
  196   2HB   TYR  31          3HB       TYR  31   1.067   4.248  -1.447
  197    HD1  TYR  31           HD1      TYR  31   3.450   5.219  -0.810
  198    HD2  TYR  31           HD2      TYR  31  -0.113   7.523  -1.506
  199    HE1  TYR  31           HE1      TYR  31   4.490   7.170   0.282
  200    HE2  TYR  31           HE2      TYR  31   0.819   9.367  -0.194
  201    HH   TYR  31           HH       TYR  31   4.230   9.397   0.842
  202    H    ILE  32           HN       ILE  32   2.306   2.763  -2.332
  203    HA   ILE  32           HA       ILE  32   5.046   3.327  -1.777
  204    HB   ILE  32           HB       ILE  32   3.646   0.653  -2.193
  205   1HG1  ILE  32          2HG1      ILE  32   3.942   2.351   0.335
  206   2HG1  ILE  32          3HG1      ILE  32   2.437   2.073  -0.555
  207   1HG2  ILE  32          3HG2      ILE  32   6.177   0.548  -2.099
  208   2HG2  ILE  32          1HG2      ILE  32   6.078   1.251  -0.468
  209   3HG2  ILE  32          2HG2      ILE  32   5.372  -0.337  -0.823
  210   1HD1  ILE  32          3HD1      ILE  32   2.786  -0.391  -0.260
  211   2HD1  ILE  32          1HD1      ILE  32   4.061   0.066   0.903
  212   3HD1  ILE  32          2HD1      ILE  32   2.382   0.481   1.219
  213    OH   TYR  33           OH       TYR  33   3.732  -1.786 -11.565
  214    H    TYR  33           HN       TYR  33   3.391   1.645  -4.335
  215    HA   TYR  33           HA       TYR  33   5.510   0.692  -5.895
  216   1HB   TYR  33          2HB       TYR  33   3.147   0.024  -5.849
  217   2HB   TYR  33          3HB       TYR  33   2.711   1.582  -6.545
  218    HD1  TYR  33           HD1      TYR  33   3.611   1.995  -9.030
  219    HD2  TYR  33           HD2      TYR  33   3.505  -1.850  -7.064
  220    HE1  TYR  33           HE1      TYR  33   3.644   0.858 -11.230
  221    HE2  TYR  33           HE2      TYR  33   3.482  -2.972  -9.254
  222    HH   TYR  33           HH       TYR  33   3.687  -1.175 -12.320
  223    H    SER  34           HN       SER  34   4.215   3.965  -5.565
  224    HA   SER  34           HA       SER  34   5.777   4.925  -7.918
  225   1HB   SER  34          2HB       SER  34   3.794   6.403  -6.176
  226   2HB   SER  34          3HB       SER  34   4.544   6.928  -7.685
  227    HG   SER  34           HG       SER  34   2.947   4.598  -7.405
  228    H    ASN  35           HN       ASN  35   5.948   4.692  -4.460
  229    HA   ASN  35           HA       ASN  35   7.758   7.081  -4.318
  230   1HB   ASN  35          2HB       ASN  35   5.985   5.692  -2.249
  231   2HB   ASN  35          3HB       ASN  35   7.288   6.770  -1.775
  232   1HD2  ASN  35          2HD2      ASN  35   3.888   8.373  -3.456
  233   2HD2  ASN  35          1HD2      ASN  35   4.258   6.667  -3.584
  234    H    CYS  36           HN       CYS  36   7.586   3.739  -3.325
  235    HA   CYS  36           HA       CYS  36  10.005   3.883  -1.722
  236   1HB   CYS  36          2HB       CYS  36   7.666   2.444  -1.579
  237   2HB   CYS  36          3HB       CYS  36   8.739   1.292  -2.399
  238    HA   PRO  37           HA       PRO  37  12.406   1.804  -5.080
  239   1HB   PRO  37          2HB       PRO  37  14.206   0.356  -3.581
  240   2HB   PRO  37          3HB       PRO  37  14.367   2.113  -3.849
  241   1HG   PRO  37          2HG       PRO  37  13.101   0.691  -1.506
  242   2HG   PRO  37          3HG       PRO  37  14.315   2.010  -1.442
  243   1HD   PRO  37          2HD       PRO  37  11.671   2.450  -1.120
  244   2HD   PRO  37          3HD       PRO  37  12.636   3.636  -2.018
  245    HA   PRO  38           HA       PRO  38  13.761  -0.324  -5.801
  246   1HB   PRO  38          2HB       PRO  38  13.183  -2.114  -7.762
  247   2HB   PRO  38          3HB       PRO  38  13.757  -2.613  -6.148
  248   1HG   PRO  38          2HG       PRO  38  10.877  -2.476  -7.113
  249   2HG   PRO  38          3HG       PRO  38  11.695  -3.860  -6.335
  250   1HD   PRO  38          2HD       PRO  38  10.190  -2.127  -4.878
  251   2HD   PRO  38          3HD       PRO  38  11.714  -2.774  -4.218
  252    OH   TYR  39           OH       TYR  39   6.255  -3.124  -6.654
  253    H    TYR  39           HN       TYR  39  10.410   0.333  -6.312
  254    HA   TYR  39           HA       TYR  39  10.348   1.028  -9.027
  255   1HB   TYR  39          2HB       TYR  39   8.789   2.462  -6.842
  256   2HB   TYR  39          3HB       TYR  39   8.408   2.307  -8.543
  257    HD1  TYR  39           HD2      TYR  39   8.555   0.551  -5.272
  258    HD2  TYR  39           HD1      TYR  39   7.395   0.279  -9.415
  259    HE1  TYR  39           HE2      TYR  39   7.501  -1.621  -4.822
  260    HE2  TYR  39           HE1      TYR  39   6.225  -1.838  -8.930
  261    HH   TYR  39           HH       TYR  39   6.216  -3.325  -5.706
  262    H    VAL  40           HN       VAL  40  10.633   3.361  -6.255
  263    HA   VAL  40           HA       VAL  40  11.893   5.350  -7.936
  264    HB   VAL  40           HB       VAL  40  11.438   5.102  -4.997
  265   1HG1  VAL  40          3HG1      VAL  40  12.328   7.460  -6.664
  266   2HG1  VAL  40          1HG1      VAL  40  11.846   7.560  -4.952
  267   3HG1  VAL  40          2HG1      VAL  40  13.278   6.638  -5.401
  268   1HG2  VAL  40          1HG2      VAL  40   9.977   6.386  -7.338
  269   2HG2  VAL  40          2HG2      VAL  40   9.342   5.190  -6.202
  270   3HG2  VAL  40          3HG2      VAL  40   9.639   6.854  -5.678
   
  Start of MODEL           3
 Raw file had  270 H/Q atoms
  Start of MODEL    3
    1   1H    ASP   1          1HN       ASP   1  -9.329   2.012   4.975
    2   2H    ASP   1          2HN       ASP   1 -10.146   1.825   6.420
    3   3H    ASP   1          3HN       ASP   1 -10.512   3.058   5.366
    4    HA   ASP   1           HA       ASP   1  -8.493   4.142   5.792
    5   1HB   ASP   1          2HB       ASP   1  -8.523   4.523   8.217
    6   2HB   ASP   1          3HB       ASP   1 -10.185   4.364   7.682
    7    H    ALA   2           HN       ALA   2  -6.632   4.006   7.558
    8    HA   ALA   2           HA       ALA   2  -4.624   3.269   8.126
    9   1HB   ALA   2          1HB       ALA   2  -5.935   0.564   8.091
   10   2HB   ALA   2          2HB       ALA   2  -4.267   0.898   8.647
   11   3HB   ALA   2          3HB       ALA   2  -5.648   1.617   9.496
   12    H    CYS   3           HN       CYS   3  -5.953   1.726   5.306
   13    HA   CYS   3           HA       CYS   3  -3.866   0.572   4.031
   14   1HB   CYS   3          2HB       CYS   3  -6.062   2.417   3.092
   15   2HB   CYS   3          3HB       CYS   3  -4.865   1.887   1.926
   16    H    GLU   4           HN       GLU   4  -4.465   4.127   3.824
   17    HA   GLU   4           HA       GLU   4  -1.968   4.726   2.569
   18   1HB   GLU   4          2HB       GLU   4  -3.749   6.479   4.291
   19   2HB   GLU   4          3HB       GLU   4  -2.356   7.050   3.381
   20   1HG   GLU   4          2HG       GLU   4  -4.218   5.475   1.671
   21   2HG   GLU   4          3HG       GLU   4  -4.934   6.949   2.352
   22    H    GLN   5           HN       GLN   5  -2.791   4.331   6.029
   23    HA   GLN   5           HA       GLN   5  -0.310   5.402   7.024
   24   1HB   GLN   5          2HB       GLN   5  -2.535   4.983   8.326
   25   2HB   GLN   5          3HB       GLN   5  -2.092   3.270   8.308
   26   1HG   GLN   5          2HG       GLN   5   0.130   4.088   9.433
   27   2HG   GLN   5          3HG       GLN   5  -0.827   5.508   9.866
   28   1HE2  GLN   5          2HE2      GLN   5  -3.211   3.096  11.666
   29   2HE2  GLN   5          1HE2      GLN   5  -3.419   4.228  10.347
   30    H    ALA   6           HN       ALA   6  -1.368   2.132   6.058
   31    HA   ALA   6           HA       ALA   6   1.021   0.723   6.798
   32   1HB   ALA   6          3HB       ALA   6  -1.215   0.296   4.764
   33   2HB   ALA   6          1HB       ALA   6   0.169  -0.763   4.826
   34   3HB   ALA   6          2HB       ALA   6  -0.878  -0.575   6.254
   35    H    ALA   7           HN       ALA   7  -0.092   2.302   3.786
   36    HA   ALA   7           HA       ALA   7   2.313   1.747   2.446
   37   1HB   ALA   7          2HB       ALA   7   0.081   3.674   1.778
   38   2HB   ALA   7          3HB       ALA   7   1.459   3.311   0.693
   39   3HB   ALA   7          1HB       ALA   7   0.377   2.039   1.176
   40    H    ILE   8           HN       ILE   8   1.554   4.440   4.505
   41    HA   ILE   8           HA       ILE   8   3.738   6.122   3.887
   42    HB   ILE   8           HB       ILE   8   1.828   5.719   6.049
   43   1HG1  ILE   8          2HG1      ILE   8   1.947   8.081   6.355
   44   2HG1  ILE   8          3HG1      ILE   8   3.480   8.198   5.465
   45   1HG2  ILE   8          3HG2      ILE   8   4.552   6.567   7.006
   46   2HG2  ILE   8          1HG2      ILE   8   3.016   6.731   7.888
   47   3HG2  ILE   8          2HG2      ILE   8   3.629   5.112   7.506
   48   1HD1  ILE   8          2HD1      ILE   8   0.975   7.075   4.194
   49   2HD1  ILE   8          3HD1      ILE   8   1.286   8.814   4.253
   50   3HD1  ILE   8          1HD1      ILE   8   2.410   7.728   3.400
   51    H    GLN   9           HN       GLN   9   3.739   3.083   5.758
   52    HA   GLN   9           HA       GLN   9   6.503   3.523   6.558
   53   1HB   GLN   9          2HB       GLN   9   4.778   2.272   7.844
   54   2HB   GLN   9          3HB       GLN   9   4.954   0.945   6.698
   55   1HG   GLN   9          2HG       GLN   9   7.588   1.870   7.686
   56   2HG   GLN   9          3HG       GLN   9   6.512   1.550   9.021
   57   1HE2  GLN   9          2HE2      GLN   9   8.084  -1.534   6.825
   58   2HE2  GLN   9          1HE2      GLN   9   8.183   0.134   6.277
   59    H    CYS  10           HN       CYS  10   5.144   2.623   3.557
   60    HA   CYS  10           HA       CYS  10   6.089   2.302   1.669
   61   1HB   CYS  10          2HB       CYS  10   8.453   3.053   3.154
   62   2HB   CYS  10          3HB       CYS  10   8.865   1.834   1.958
   63    H    VAL  11           HN       VAL  11   4.803   0.221   2.862
   64    HA   VAL  11           HA       VAL  11   6.367  -2.180   2.197
   65    HB   VAL  11           HB       VAL  11   4.609  -2.895   4.158
   66   1HG1  VAL  11          2HG1      VAL  11   6.807  -3.895   3.709
   67   2HG1  VAL  11          3HG1      VAL  11   7.608  -2.416   4.291
   68   3HG1  VAL  11          1HG1      VAL  11   6.656  -3.416   5.407
   69   1HG2  VAL  11          2HG2      VAL  11   4.406  -0.562   4.780
   70   2HG2  VAL  11          3HG2      VAL  11   5.219  -1.563   6.019
   71   3HG2  VAL  11          1HG2      VAL  11   6.190  -0.504   4.961
   72    H    GLU  12           HN       GLU  12   5.389  -3.045   0.379
   73    HA   GLU  12           HA       GLU  12   2.587  -2.823  -0.313
   74   1HB   GLU  12          2HB       GLU  12   4.758  -4.830  -1.064
   75   2HB   GLU  12          3HB       GLU  12   3.112  -4.940  -1.652
   76   1HG   GLU  12          2HG       GLU  12   3.272  -2.831  -2.856
   77   2HG   GLU  12          3HG       GLU  12   4.877  -2.521  -2.185
   78    H    SER  13           HN       SER  13   4.563  -4.976   1.577
   79    HA   SER  13           HA       SER  13   2.650  -6.923   2.188
   80   1HB   SER  13          2HB       SER  13   5.000  -7.153   2.966
   81   2HB   SER  13          3HB       SER  13   4.846  -5.717   3.987
   82    HG   SER  13           HG       SER  13   3.310  -8.078   4.334
   83    H    ALA  14           HN       ALA  14   3.070  -3.844   3.875
   84    HA   ALA  14           HA       ALA  14   1.161  -4.497   5.908
   85   1HB   ALA  14          1HB       ALA  14   2.126  -1.779   4.948
   86   2HB   ALA  14          2HB       ALA  14   1.173  -2.111   6.424
   87   3HB   ALA  14          3HB       ALA  14   2.809  -2.755   6.267
   88    H    CYS  15           HN       CYS  15   0.935  -2.904   2.650
   89    HA   CYS  15           HA       CYS  15  -1.873  -2.249   2.869
   90   1HB   CYS  15          2HB       CYS  15  -0.144  -3.095   0.478
   91   2HB   CYS  15          3HB       CYS  15  -1.753  -2.416   0.349
   92    H    GLU  16           HN       GLU  16  -0.128  -5.152   1.647
   93    HA   GLU  16           HA       GLU  16  -2.280  -6.552   0.588
   94   1HB   GLU  16          2HB       GLU  16   0.386  -7.007   0.911
   95   2HB   GLU  16          3HB       GLU  16  -0.202  -8.121   2.124
   96   1HG   GLU  16          2HG       GLU  16  -1.279  -8.145  -0.740
   97   2HG   GLU  16          3HG       GLU  16   0.292  -8.837  -0.360
   98    H    SER  17           HN       SER  17  -1.063  -6.483   3.934
   99    HA   SER  17           HA       SER  17  -3.235  -8.198   4.884
  100   1HB   SER  17          2HB       SER  17  -1.956  -7.724   7.108
  101   2HB   SER  17          3HB       SER  17  -1.279  -8.785   5.870
  102    HG   SER  17           HG       SER  17   0.035  -7.114   5.129
  103    H    LEU  18           HN       LEU  18  -2.756  -4.733   4.671
  104    HA   LEU  18           HA       LEU  18  -4.692  -4.157   6.789
  105   1HB   LEU  18          2HB       LEU  18  -2.825  -2.566   5.134
  106   2HB   LEU  18          3HB       LEU  18  -4.408  -1.891   5.083
  107    HG   LEU  18           HG       LEU  18  -3.286  -0.811   6.655
  108   1HD1  LEU  18          2HD1      LEU  18  -5.693  -1.406   7.215
  109   2HD1  LEU  18          3HD1      LEU  18  -5.149  -2.765   8.201
  110   3HD1  LEU  18          1HD1      LEU  18  -4.727  -1.186   8.713
  111   1HD2  LEU  18          2HD2      LEU  18  -1.542  -2.427   7.334
  112   2HD2  LEU  18          3HD2      LEU  18  -2.339  -1.643   8.719
  113   3HD2  LEU  18          1HD2      LEU  18  -2.762  -3.313   8.286
  114    H    CYS  19           HN       CYS  19  -4.574  -4.139   3.278
  115    HA   CYS  19           HA       CYS  19  -7.101  -2.691   3.133
  116   1HB   CYS  19          2HB       CYS  19  -4.998  -3.367   1.065
  117   2HB   CYS  19          3HB       CYS  19  -6.482  -2.424   0.731
  118    H    THR  20           HN       THR  20  -8.830  -3.665   1.716
  119    HA   THR  20           HA       THR  20  -8.823  -6.572   1.696
  120    HB   THR  20           HB       THR  20 -10.755  -4.743   0.224
  121    HG1  THR  20          1HG       THR  20 -10.515  -4.647   2.653
  122   1HG2  THR  20          2HG2      THR  20 -10.868  -7.681   1.092
  123   2HG2  THR  20          3HG2      THR  20 -12.208  -6.790   0.347
  124   3HG2  THR  20          1HG2      THR  20 -10.751  -7.127  -0.585
  125    H    GLU  21           HN       GLU  21  -9.622  -4.991  -1.427
  126    HA   GLU  21           HA       GLU  21  -7.260  -5.561  -2.873
  127   1HB   GLU  21          2HB       GLU  21  -8.053  -7.978  -2.127
  128   2HB   GLU  21          3HB       GLU  21  -9.448  -7.660  -3.136
  129   1HG   GLU  21          2HG       GLU  21  -7.918  -7.441  -5.093
  130   2HG   GLU  21          3HG       GLU  21  -6.526  -7.705  -3.999
  131    H    GLY  22           HN       GLY  22  -7.689  -4.779  -5.085
  132   1HA   GLY  22          1HA       GLY  22  -8.916  -4.238  -6.926
  133   2HA   GLY  22          2HA       GLY  22 -10.281  -5.138  -6.242
  134    H    GLU  23           HN       GLU  23  -8.415  -2.321  -5.406
  135    HA   GLU  23           HA       GLU  23  -9.206  -0.105  -5.844
  136   1HB   GLU  23          2HB       GLU  23 -10.905   0.744  -4.552
  137   2HB   GLU  23          3HB       GLU  23 -11.529  -0.586  -5.557
  138   1HG   GLU  23          2HG       GLU  23 -11.696  -2.014  -3.473
  139   2HG   GLU  23          3HG       GLU  23 -11.038  -0.675  -2.516
  140    H    ASP  24           HN       ASP  24  -9.457  -1.909  -2.826
  141    HA   ASP  24           HA       ASP  24  -8.566   0.242  -1.309
  142   1HB   ASP  24          2HB       ASP  24  -9.974  -1.907  -0.662
  143   2HB   ASP  24          3HB       ASP  24  -8.466  -2.652  -0.346
  144    NH1  ARG  25           NH2      ARG  25  -3.719  -9.037  -1.557
  145    NH2  ARG  25           NH1      ARG  25  -4.560  -9.118   0.597
  146    H    ARG  25           HN       ARG  25  -7.066  -2.867  -2.044
  147    HA   ARG  25           HA       ARG  25  -4.473  -2.272  -1.039
  148   1HB   ARG  25          2HB       ARG  25  -5.395  -4.154  -3.277
  149   2HB   ARG  25          3HB       ARG  25  -3.685  -3.927  -2.868
  150   1HG   ARG  25          2HG       ARG  25  -4.103  -4.546  -0.533
  151   2HG   ARG  25          3HG       ARG  25  -5.819  -4.814  -0.920
  152   1HD   ARG  25          2HD       ARG  25  -5.024  -6.587  -2.582
  153   2HD   ARG  25          3HD       ARG  25  -3.371  -6.304  -1.975
  154    HE   ARG  25           HE       ARG  25  -5.419  -6.859   0.055
  155   1HH1  ARG  25          2HH2      ARG  25  -3.380  -8.500  -2.353
  156   2HH1  ARG  25          1HH2      ARG  25  -3.206  -9.894  -1.348
  157   1HH2  ARG  25          2HH1      ARG  25  -4.681  -8.591   1.457
  158   2HH2  ARG  25          1HH1      ARG  25  -4.387 -10.122   0.664
  159    H    THR  26           HN       THR  26  -5.971  -2.056  -4.349
  160    HA   THR  26           HA       THR  26  -3.959  -1.277  -5.832
  161    HB   THR  26           HB       THR  26  -6.624   0.154  -6.043
  162    HG1  THR  26          1HG       THR  26  -6.728  -2.259  -7.159
  163   1HG2  THR  26          3HG2      THR  26  -4.900   0.551  -7.784
  164   2HG2  THR  26          1HG2      THR  26  -4.853  -1.194  -8.123
  165   3HG2  THR  26          2HG2      THR  26  -6.345  -0.259  -8.390
  166    H    GLY  27           HN       GLY  27  -5.945   1.272  -4.126
  167   1HA   GLY  27          1HA       GLY  27  -4.265   3.438  -4.788
  168   2HA   GLY  27          2HA       GLY  27  -5.271   3.311  -3.320
  169    H    CYS  28           HN       CYS  28  -4.074   1.273  -1.969
  170    HA   CYS  28           HA       CYS  28  -2.069   2.709  -0.502
  171   1HB   CYS  28          2HB       CYS  28  -3.653   1.104   0.361
  172   2HB   CYS  28          3HB       CYS  28  -2.896  -0.241  -0.480
  173    OH   TYR  29           OH       TYR  29   0.584  -6.956  -3.145
  174    H    TYR  29           HN       TYR  29  -1.971  -0.018  -2.696
  175    HA   TYR  29           HA       TYR  29   0.823  -0.614  -2.468
  176   1HB   TYR  29          2HB       TYR  29  -1.488  -1.811  -3.630
  177   2HB   TYR  29          3HB       TYR  29  -0.530  -1.352  -5.014
  178    HD1  TYR  29           HD2      TYR  29   0.061  -2.731  -1.635
  179    HD2  TYR  29           HD1      TYR  29   0.591  -3.313  -5.850
  180    HE1  TYR  29           HE2      TYR  29   0.332  -5.159  -1.246
  181    HE2  TYR  29           HE1      TYR  29   0.785  -5.756  -5.473
  182    HH   TYR  29           HH       TYR  29   0.826  -7.233  -2.255
  183    H    MET  30           HN       MET  30  -1.207   1.035  -4.924
  184    HA   MET  30           HA       MET  30   0.681   1.862  -6.761
  185   1HB   MET  30          2HB       MET  30  -1.868   3.152  -5.777
  186   2HB   MET  30          3HB       MET  30  -0.905   3.866  -7.060
  187   1HG   MET  30          2HG       MET  30  -1.871   0.988  -7.206
  188   2HG   MET  30          3HG       MET  30  -2.789   2.361  -7.811
  189   1HE   MET  30          1HE       MET  30  -2.525   0.059  -9.511
  190   2HE   MET  30          2HE       MET  30  -3.051   1.584 -10.249
  191   3HE   MET  30          3HE       MET  30  -1.794   0.602 -11.031
  192    OH   TYR  31           OH       TYR  31   4.832   8.865   0.022
  193    H    TYR  31           HN       TYR  31  -0.107   3.470  -3.615
  194    HA   TYR  31           HA       TYR  31   1.615   5.700  -4.065
  195   1HB   TYR  31          2HB       TYR  31   0.036   5.595  -2.125
  196   2HB   TYR  31          3HB       TYR  31   0.973   4.292  -1.426
  197    HD1  TYR  31           HD2      TYR  31   1.161   7.860  -2.478
  198    HD2  TYR  31           HD1      TYR  31   3.016   4.737  -0.174
  199    HE1  TYR  31           HE2      TYR  31   2.807   9.491  -1.589
  200    HE2  TYR  31           HE1      TYR  31   4.642   6.355   0.719
  201    HH   TYR  31           HH       TYR  31   4.789   9.768  -0.321
  202    H    ILE  32           HN       ILE  32   2.343   2.706  -2.241
  203    HA   ILE  32           HA       ILE  32   5.053   3.204  -1.788
  204    HB   ILE  32           HB       ILE  32   3.370   0.709  -2.145
  205   1HG1  ILE  32          2HG1      ILE  32   4.932   1.283   0.300
  206   2HG1  ILE  32          3HG1      ILE  32   3.598   2.407  -0.016
  207   1HG2  ILE  32          2HG2      ILE  32   6.361   0.644  -1.635
  208   2HG2  ILE  32          3HG2      ILE  32   5.280  -0.622  -1.110
  209   3HG2  ILE  32          1HG2      ILE  32   5.424  -0.244  -2.837
  210   1HD1  ILE  32          2HD1      ILE  32   3.166  -0.580  -0.213
  211   2HD1  ILE  32          3HD1      ILE  32   3.142   0.235   1.349
  212   3HD1  ILE  32          1HD1      ILE  32   2.009   0.732   0.065
  213    OH   TYR  33           OH       TYR  33   1.510  -1.268 -11.219
  214    H    TYR  33           HN       TYR  33   3.489   1.574  -4.386
  215    HA   TYR  33           HA       TYR  33   5.605   0.601  -5.933
  216   1HB   TYR  33          2HB       TYR  33   3.226  -0.032  -5.853
  217   2HB   TYR  33          3HB       TYR  33   2.806   1.519  -6.579
  218    HD1  TYR  33           HD1      TYR  33   3.669   1.968  -8.978
  219    HD2  TYR  33           HD2      TYR  33   3.357  -1.922  -7.138
  220    HE1  TYR  33           HE1      TYR  33   2.674   1.065 -11.023
  221    HE2  TYR  33           HE2      TYR  33   2.238  -2.787  -9.159
  222    HH   TYR  33           HH       TYR  33   1.369  -2.225 -11.234
  223    H    SER  34           HN       SER  34   4.242   3.907  -5.694
  224    HA   SER  34           HA       SER  34   6.086   4.751  -7.911
  225   1HB   SER  34          2HB       SER  34   3.449   5.839  -6.903
  226   2HB   SER  34          3HB       SER  34   4.600   6.825  -7.800
  227    HG   SER  34           HG       SER  34   4.545   5.459  -9.498
  228    H    ASN  35           HN       ASN  35   6.027   4.628  -4.551
  229    HA   ASN  35           HA       ASN  35   7.659   7.164  -4.415
  230   1HB   ASN  35          2HB       ASN  35   5.655   5.967  -2.469
  231   2HB   ASN  35          3HB       ASN  35   6.869   7.137  -2.002
  232   1HD2  ASN  35          2HD2      ASN  35   3.685   8.384  -4.293
  233   2HD2  ASN  35          1HD2      ASN  35   4.057   6.672  -4.084
  234    H    CYS  36           HN       CYS  36   7.795   3.725  -3.739
  235    HA   CYS  36           HA       CYS  36  10.024   4.176  -1.871
  236   1HB   CYS  36          2HB       CYS  36   8.410   1.701  -2.550
  237   2HB   CYS  36          3HB       CYS  36   9.549   1.853  -1.235
  238    HA   PRO  37           HA       PRO  37  12.637   2.591  -5.180
  239   1HB   PRO  37          2HB       PRO  37  14.886   1.912  -3.755
  240   2HB   PRO  37          3HB       PRO  37  14.449   3.586  -4.185
  241   1HG   PRO  37          2HG       PRO  37  13.949   2.159  -1.568
  242   2HG   PRO  37          3HG       PRO  37  14.599   3.806  -1.831
  243   1HD   PRO  37          2HD       PRO  37  11.976   3.341  -1.233
  244   2HD   PRO  37          3HD       PRO  37  12.460   4.670  -2.333
  245    HA   PRO  38           HA       PRO  38  14.166   1.017  -6.173
  246   1HB   PRO  38          2HB       PRO  38  13.837  -0.923  -8.033
  247   2HB   PRO  38          3HB       PRO  38  14.814  -1.178  -6.562
  248   1HG   PRO  38          2HG       PRO  38  11.944  -2.010  -7.036
  249   2HG   PRO  38          3HG       PRO  38  13.276  -3.005  -6.386
  250   1HD   PRO  38          2HD       PRO  38  11.448  -1.702  -4.773
  251   2HD   PRO  38          3HD       PRO  38  13.142  -1.950  -4.273
  252    OH   TYR  39           OH       TYR  39   8.437  -4.314  -4.522
  253    H    TYR  39           HN       TYR  39  10.741   0.302  -6.118
  254    HA   TYR  39           HA       TYR  39  10.070   0.409  -8.760
  255   1HB   TYR  39          2HB       TYR  39   8.248   1.431  -6.578
  256   2HB   TYR  39          3HB       TYR  39   7.832   0.578  -8.071
  257    HD1  TYR  39           HD1      TYR  39   9.413  -1.806  -8.155
  258    HD2  TYR  39           HD2      TYR  39   7.749   0.175  -4.698
  259    HE1  TYR  39           HE1      TYR  39   9.481  -3.928  -6.901
  260    HE2  TYR  39           HE2      TYR  39   7.686  -1.990  -3.501
  261    HH   TYR  39           HH       TYR  39   7.758  -4.251  -3.831
  262    H    VAL  40           HN       VAL  40   9.423   3.131  -6.572
  263    HA   VAL  40           HA       VAL  40   8.605   5.203  -7.189
  264    HB   VAL  40           HB       VAL  40  10.741   6.629  -7.767
  265   1HG1  VAL  40          2HG1      VAL  40  10.399   5.083  -5.204
  266   2HG1  VAL  40          3HG1      VAL  40  11.403   6.531  -5.412
  267   3HG1  VAL  40          1HG1      VAL  40   9.652   6.644  -5.633
  268   1HG2  VAL  40          3HG2      VAL  40  12.101   4.618  -8.473
  269   2HG2  VAL  40          1HG2      VAL  40  12.817   5.576  -7.156
  270   3HG2  VAL  40          2HG2      VAL  40  12.008   4.048  -6.784
   
  Start of MODEL           4
 Raw file had  270 H/Q atoms
  Start of MODEL    4
    1   1H    ASP   1          1HN       ASP   1  -8.747   4.464   9.335
    2   2H    ASP   1          2HN       ASP   1  -7.733   5.098  10.473
    3   3H    ASP   1          3HN       ASP   1  -8.308   6.039   9.246
    4    HA   ASP   1           HA       ASP   1  -7.266   4.751   7.586
    5   1HB   ASP   1          2HB       ASP   1  -4.887   5.245   7.971
    6   2HB   ASP   1          3HB       ASP   1  -5.918   6.600   8.349
    7    H    ALA   2           HN       ALA   2  -5.619   3.241   7.140
    8    HA   ALA   2           HA       ALA   2  -4.323   1.392   8.867
    9   1HB   ALA   2          3HB       ALA   2  -6.986   0.529   7.664
   10   2HB   ALA   2          1HB       ALA   2  -5.686  -0.624   7.876
   11   3HB   ALA   2          2HB       ALA   2  -6.344   0.206   9.300
   12    H    CYS   3           HN       CYS   3  -6.135   1.324   5.815
   13    HA   CYS   3           HA       CYS   3  -4.157  -0.090   4.326
   14   1HB   CYS   3          2HB       CYS   3  -6.500  -0.059   3.743
   15   2HB   CYS   3          3HB       CYS   3  -6.501   1.655   3.483
   16    H    GLU   4           HN       GLU   4  -5.225   3.293   3.849
   17    HA   GLU   4           HA       GLU   4  -2.928   4.149   2.469
   18   1HB   GLU   4          2HB       GLU   4  -3.343   6.426   3.212
   19   2HB   GLU   4          3HB       GLU   4  -4.809   5.639   2.639
   20   1HG   GLU   4          2HG       GLU   4  -5.664   5.440   4.929
   21   2HG   GLU   4          3HG       GLU   4  -4.117   5.983   5.605
   22    H    GLN   5           HN       GLN   5  -3.317   3.982   5.970
   23    HA   GLN   5           HA       GLN   5  -0.901   5.111   6.797
   24   1HB   GLN   5          2HB       GLN   5  -2.278   4.809   8.554
   25   2HB   GLN   5          3HB       GLN   5  -2.922   3.297   7.964
   26   1HG   GLN   5          2HG       GLN   5  -1.797   2.888   9.992
   27   2HG   GLN   5          3HG       GLN   5  -0.917   2.081   8.702
   28   1HE2  GLN   5          2HE2      GLN   5   1.766   3.439  10.724
   29   2HE2  GLN   5          1HE2      GLN   5   0.605   2.119  10.622
   30    H    ALA   6           HN       ALA   6  -1.536   1.759   5.769
   31    HA   ALA   6           HA       ALA   6   0.984   0.603   6.193
   32   1HB   ALA   6          3HB       ALA   6  -1.424  -0.107   4.850
   33   2HB   ALA   6          1HB       ALA   6  -0.166  -0.186   3.609
   34   3HB   ALA   6          2HB       ALA   6  -0.028  -1.107   5.105
   35    H    ALA   7           HN       ALA   7  -0.244   2.362   3.340
   36    HA   ALA   7           HA       ALA   7   2.269   2.266   1.933
   37   1HB   ALA   7          2HB       ALA   7  -0.323   3.760   1.526
   38   2HB   ALA   7          3HB       ALA   7   1.116   4.070   0.512
   39   3HB   ALA   7          1HB       ALA   7   0.426   2.458   0.581
   40    H    ILE   8           HN       ILE   8   0.875   4.580   4.126
   41    HA   ILE   8           HA       ILE   8   2.806   6.604   3.764
   42    HB   ILE   8           HB       ILE   8   0.725   5.917   5.703
   43   1HG1  ILE   8          2HG1      ILE   8   0.621   8.439   5.904
   44   2HG1  ILE   8          3HG1      ILE   8   1.931   8.517   4.713
   45   1HG2  ILE   8          2HG2      ILE   8   3.169   7.264   6.811
   46   2HG2  ILE   8          3HG2      ILE   8   1.557   7.216   7.569
   47   3HG2  ILE   8          1HG2      ILE   8   2.441   5.713   7.343
   48   1HD1  ILE   8          1HD1      ILE   8   0.486   7.213   3.132
   49   2HD1  ILE   8          2HD1      ILE   8  -0.794   7.188   4.374
   50   3HD1  ILE   8          3HD1      ILE   8  -0.270   8.729   3.673
   51    H    GLN   9           HN       GLN   9   2.835   3.661   5.865
   52    HA   GLN   9           HA       GLN   9   5.381   4.273   7.002
   53   1HB   GLN   9          2HB       GLN   9   3.716   2.717   7.956
   54   2HB   GLN   9          3HB       GLN   9   4.235   1.492   6.794
   55   1HG   GLN   9          2HG       GLN   9   6.471   2.896   8.254
   56   2HG   GLN   9          3HG       GLN   9   5.361   2.051   9.279
   57   1HE2  GLN   9          2HE2      GLN   9   6.547  -1.205   8.259
   58   2HE2  GLN   9          1HE2      GLN   9   5.203  -0.392   9.016
   59    H    CYS  10           HN       CYS  10   4.400   2.727   3.969
   60    HA   CYS  10           HA       CYS  10   5.611   2.649   1.962
   61   1HB   CYS  10          2HB       CYS  10   7.003   4.496   3.098
   62   2HB   CYS  10          3HB       CYS  10   8.213   3.232   3.372
   63    H    VAL  11           HN       VAL  11   4.743   0.415   3.009
   64    HA   VAL  11           HA       VAL  11   6.931  -1.554   2.858
   65    HB   VAL  11           HB       VAL  11   5.028  -2.601   4.507
   66   1HG1  VAL  11          1HG1      VAL  11   7.522  -2.953   4.509
   67   2HG1  VAL  11          2HG1      VAL  11   7.703  -1.372   5.293
   68   3HG1  VAL  11          3HG1      VAL  11   6.835  -2.676   6.122
   69   1HG2  VAL  11          3HG2      VAL  11   4.221  -0.318   4.896
   70   2HG2  VAL  11          1HG2      VAL  11   4.922  -1.093   6.334
   71   3HG2  VAL  11          2HG2      VAL  11   5.871   0.129   5.432
   72    H    GLU  12           HN       GLU  12   6.458  -2.700   0.963
   73    HA   GLU  12           HA       GLU  12   4.047  -2.407  -0.423
   74   1HB   GLU  12          2HB       GLU  12   6.466  -3.497  -1.075
   75   2HB   GLU  12          3HB       GLU  12   5.527  -4.972  -0.802
   76   1HG   GLU  12          2HG       GLU  12   3.773  -3.796  -2.384
   77   2HG   GLU  12          3HG       GLU  12   5.131  -2.789  -2.880
   78    H    SER  13           HN       SER  13   5.077  -4.806   1.870
   79    HA   SER  13           HA       SER  13   2.673  -6.429   1.445
   80   1HB   SER  13          2HB       SER  13   4.861  -7.476   1.994
   81   2HB   SER  13          3HB       SER  13   4.804  -6.723   3.606
   82    HG   SER  13           HG       SER  13   3.032  -8.682   2.545
   83    H    ALA  14           HN       ALA  14   3.317  -3.635   3.299
   84    HA   ALA  14           HA       ALA  14   1.592  -4.333   5.484
   85   1HB   ALA  14          2HB       ALA  14   3.206  -2.559   5.727
   86   2HB   ALA  14          3HB       ALA  14   2.295  -1.545   4.560
   87   3HB   ALA  14          1HB       ALA  14   1.587  -2.056   6.121
   88    H    CYS  15           HN       CYS  15   1.133  -2.428   2.367
   89    HA   CYS  15           HA       CYS  15  -1.738  -2.097   2.636
   90   1HB   CYS  15          2HB       CYS  15   0.069  -2.610   0.162
   91   2HB   CYS  15          3HB       CYS  15  -1.597  -2.060   0.090
   92    H    GLU  16           HN       GLU  16   0.295  -4.693   1.211
   93    HA   GLU  16           HA       GLU  16  -1.681  -6.165  -0.031
   94   1HB   GLU  16          2HB       GLU  16   0.912  -6.429   0.174
   95   2HB   GLU  16          3HB       GLU  16   0.564  -7.531   1.523
   96   1HG   GLU  16          2HG       GLU  16  -0.421  -7.786  -1.361
   97   2HG   GLU  16          3HG       GLU  16   1.030  -8.540  -0.719
   98    H    SER  17           HN       SER  17  -0.592  -6.725   3.371
   99    HA   SER  17           HA       SER  17  -2.870  -8.465   3.832
  100   1HB   SER  17          2HB       SER  17  -0.508  -8.380   4.984
  101   2HB   SER  17          3HB       SER  17  -1.287  -7.215   6.064
  102    HG   SER  17           HG       SER  17  -1.328  -9.771   6.267
  103    H    LEU  18           HN       LEU  18  -2.130  -5.063   4.543
  104    HA   LEU  18           HA       LEU  18  -4.147  -4.774   6.536
  105   1HB   LEU  18          2HB       LEU  18  -1.965  -3.625   6.483
  106   2HB   LEU  18          3HB       LEU  18  -2.492  -2.665   5.085
  107    HG   LEU  18           HG       LEU  18  -3.890  -1.420   6.293
  108   1HD1  LEU  18          1HD1      LEU  18  -3.681  -3.579   8.492
  109   2HD1  LEU  18          2HD1      LEU  18  -4.334  -1.994   8.866
  110   3HD1  LEU  18          3HD1      LEU  18  -5.171  -3.024   7.693
  111   1HD2  LEU  18          1HD2      LEU  18  -1.518  -0.932   6.900
  112   2HD2  LEU  18          2HD2      LEU  18  -2.548  -0.620   8.299
  113   3HD2  LEU  18          3HD2      LEU  18  -1.591  -2.095   8.221
  114    H    CYS  19           HN       CYS  19  -3.958  -3.810   3.131
  115    HA   CYS  19           HA       CYS  19  -6.760  -2.797   3.113
  116   1HB   CYS  19          2HB       CYS  19  -4.857  -3.222   0.809
  117   2HB   CYS  19          3HB       CYS  19  -6.348  -2.233   0.736
  118    H    THR  20           HN       THR  20  -8.282  -4.168   1.781
  119    HA   THR  20           HA       THR  20  -7.553  -7.050   2.015
  120    HB   THR  20           HB       THR  20 -10.247  -5.768   1.508
  121    HG1  THR  20          1HG       THR  20 -10.320  -6.303   3.862
  122   1HG2  THR  20          3HG2      THR  20  -9.365  -8.514   2.515
  123   2HG2  THR  20          1HG2      THR  20 -11.040  -7.956   2.339
  124   3HG2  THR  20          2HG2      THR  20 -10.024  -8.204   0.904
  125    H    GLU  21           HN       GLU  21  -9.850  -6.122  -0.522
  126    HA   GLU  21           HA       GLU  21  -7.873  -5.480  -2.455
  127   1HB   GLU  21          2HB       GLU  21  -8.899  -7.226  -3.964
  128   2HB   GLU  21          3HB       GLU  21  -7.740  -7.787  -2.731
  129   1HG   GLU  21          2HG       GLU  21  -9.649  -8.637  -1.359
  130   2HG   GLU  21          3HG       GLU  21 -10.763  -8.047  -2.599
  131    H    GLY  22           HN       GLY  22  -9.169  -4.897  -4.442
  132   1HA   GLY  22          1HA       GLY  22 -11.201  -4.151  -5.455
  133   2HA   GLY  22          2HA       GLY  22 -12.069  -4.373  -3.942
  134    H    GLU  23           HN       GLU  23  -9.475  -2.537  -5.395
  135    HA   GLU  23           HA       GLU  23  -9.127  -0.453  -5.826
  136   1HB   GLU  23          2HB       GLU  23 -10.813   0.961  -6.023
  137   2HB   GLU  23          3HB       GLU  23 -11.798  -0.371  -5.512
  138   1HG   GLU  23          2HG       GLU  23 -12.503   1.521  -4.316
  139   2HG   GLU  23          3HG       GLU  23 -11.601   0.555  -3.121
  140    H    ASP  24           HN       ASP  24  -9.665  -1.381  -2.532
  141    HA   ASP  24           HA       ASP  24  -8.506   0.928  -1.376
  142   1HB   ASP  24          2HB       ASP  24  -9.857  -1.119  -0.201
  143   2HB   ASP  24          3HB       ASP  24  -8.345  -1.845  -0.121
  144    NH1  ARG  25           NH2      ARG  25  -2.843  -8.276  -2.234
  145    NH2  ARG  25           NH1      ARG  25  -3.862  -8.938  -0.311
  146    H    ARG  25           HN       ARG  25  -7.230  -2.370  -1.943
  147    HA   ARG  25           HA       ARG  25  -4.612  -1.925  -1.289
  148   1HB   ARG  25          2HB       ARG  25  -5.795  -3.624  -3.569
  149   2HB   ARG  25          3HB       ARG  25  -4.051  -3.472  -3.329
  150   1HG   ARG  25          2HG       ARG  25  -4.371  -4.188  -0.951
  151   2HG   ARG  25          3HG       ARG  25  -6.026  -4.648  -1.402
  152   1HD   ARG  25          2HD       ARG  25  -4.972  -6.226  -3.077
  153   2HD   ARG  25          3HD       ARG  25  -3.362  -5.628  -2.619
  154    HE   ARG  25           HE       ARG  25  -4.988  -6.664  -0.429
  155   1HH1  ARG  25          2HH2      ARG  25  -2.562  -7.598  -2.939
  156   2HH1  ARG  25          1HH2      ARG  25  -2.239  -9.086  -2.110
  157   1HH2  ARG  25          2HH1      ARG  25  -4.400  -8.756   0.537
  158   2HH2  ARG  25          1HH1      ARG  25  -3.215  -9.719  -0.294
  159    H    THR  26           HN       THR  26  -6.191  -1.424  -4.548
  160    HA   THR  26           HA       THR  26  -4.078  -0.778  -6.048
  161    HB   THR  26           HB       THR  26  -6.677   0.767  -6.235
  162    HG1  THR  26          1HG       THR  26  -7.488  -1.053  -7.235
  163   1HG2  THR  26          3HG2      THR  26  -4.697  -0.303  -8.299
  164   2HG2  THR  26          1HG2      THR  26  -6.234   0.487  -8.688
  165   3HG2  THR  26          2HG2      THR  26  -4.963   1.399  -7.875
  166    H    GLY  27           HN       GLY  27  -5.918   1.872  -4.362
  167   1HA   GLY  27          1HA       GLY  27  -4.064   3.868  -5.193
  168   2HA   GLY  27          2HA       GLY  27  -5.196   4.008  -3.853
  169    H    CYS  28           HN       CYS  28  -3.999   1.639  -2.395
  170    HA   CYS  28           HA       CYS  28  -2.022   3.133  -0.870
  171   1HB   CYS  28          2HB       CYS  28  -3.667   1.582   0.012
  172   2HB   CYS  28          3HB       CYS  28  -2.914   0.208  -0.786
  173    OH   TYR  29           OH       TYR  29   2.065  -6.065  -2.610
  174    H    TYR  29           HN       TYR  29  -2.078   0.411  -3.073
  175    HA   TYR  29           HA       TYR  29   0.636  -0.412  -2.669
  176   1HB   TYR  29          2HB       TYR  29  -1.699  -1.451  -3.821
  177   2HB   TYR  29          3HB       TYR  29  -0.672  -1.201  -5.217
  178    HD1  TYR  29           HD1      TYR  29   1.583  -2.432  -5.312
  179    HD2  TYR  29           HD2      TYR  29  -1.368  -3.144  -2.241
  180    HE1  TYR  29           HE1      TYR  29   2.737  -4.530  -4.666
  181    HE2  TYR  29           HE2      TYR  29  -0.202  -5.232  -1.610
  182    HH   TYR  29           HH       TYR  29   3.007  -5.986  -2.825
  183    H    MET  30           HN       MET  30  -1.114   1.303  -5.284
  184    HA   MET  30           HA       MET  30   0.889   1.808  -7.129
  185   1HB   MET  30          2HB       MET  30  -1.422   3.530  -6.227
  186   2HB   MET  30          3HB       MET  30  -0.413   3.899  -7.638
  187   1HG   MET  30          2HG       MET  30  -1.578   1.145  -7.534
  188   2HG   MET  30          3HG       MET  30  -2.696   2.487  -7.813
  189   1HE   MET  30          1HE       MET  30  -3.264   1.020 -10.092
  190   2HE   MET  30          2HE       MET  30  -2.037   0.771 -11.363
  191   3HE   MET  30          3HE       MET  30  -1.886  -0.078  -9.817
  192    OH   TYR  31           OH       TYR  31   4.683   8.358   0.929
  193    H    TYR  31           HN       TYR  31   0.185   3.644  -4.113
  194    HA   TYR  31           HA       TYR  31   2.184   5.647  -4.483
  195   1HB   TYR  31          2HB       TYR  31   0.467   5.773  -2.684
  196   2HB   TYR  31          3HB       TYR  31   1.113   4.343  -1.920
  197    HD1  TYR  31           HD1      TYR  31   3.297   4.375  -0.684
  198    HD2  TYR  31           HD2      TYR  31   1.341   7.914  -2.141
  199    HE1  TYR  31           HE1      TYR  31   4.782   5.751   0.706
  200    HE2  TYR  31           HE2      TYR  31   2.745   9.290  -0.627
  201    HH   TYR  31           HH       TYR  31   4.672   9.298   0.676
  202    H    ILE  32           HN       ILE  32   2.478   2.657  -2.521
  203    HA   ILE  32           HA       ILE  32   5.210   3.031  -1.911
  204    HB   ILE  32           HB       ILE  32   3.735   0.399  -2.354
  205   1HG1  ILE  32          2HG1      ILE  32   4.000   2.142   0.141
  206   2HG1  ILE  32          3HG1      ILE  32   2.505   1.830  -0.759
  207   1HG2  ILE  32          3HG2      ILE  32   6.304   0.294  -2.179
  208   2HG2  ILE  32          1HG2      ILE  32   6.112   0.911  -0.523
  209   3HG2  ILE  32          2HG2      ILE  32   5.421  -0.646  -1.009
  210   1HD1  ILE  32          3HD1      ILE  32   2.762  -0.604  -0.308
  211   2HD1  ILE  32          1HD1      ILE  32   4.160  -0.167   0.713
  212   3HD1  ILE  32          2HD1      ILE  32   2.551   0.339   1.175
  213    OH   TYR  33           OH       TYR  33   3.945  -2.123 -11.701
  214    H    TYR  33           HN       TYR  33   3.623   1.401  -4.515
  215    HA   TYR  33           HA       TYR  33   5.686   0.226  -5.959
  216   1HB   TYR  33          2HB       TYR  33   3.311  -0.244  -5.978
  217   2HB   TYR  33          3HB       TYR  33   3.004   1.281  -6.789
  218    HD1  TYR  33           HD2      TYR  33   4.300  -2.165  -7.171
  219    HD2  TYR  33           HD1      TYR  33   3.582   1.602  -9.140
  220    HE1  TYR  33           HE2      TYR  33   4.298  -3.315  -9.371
  221    HE2  TYR  33           HE1      TYR  33   3.729   0.475 -11.332
  222    HH   TYR  33           HH       TYR  33   3.640  -1.524 -12.397
  223    H    SER  34           HN       SER  34   4.852   3.639  -5.785
  224    HA   SER  34           HA       SER  34   7.130   4.057  -7.702
  225   1HB   SER  34          2HB       SER  34   4.419   5.399  -7.537
  226   2HB   SER  34          3HB       SER  34   5.812   6.172  -8.277
  227    HG   SER  34           HG       SER  34   5.434   3.488  -8.936
  228    H    ASN  35           HN       ASN  35   6.199   4.421  -4.520
  229    HA   ASN  35           HA       ASN  35   7.751   6.967  -4.156
  230   1HB   ASN  35          2HB       ASN  35   5.728   5.464  -2.443
  231   2HB   ASN  35          3HB       ASN  35   6.798   6.650  -1.753
  232   1HD2  ASN  35          2HD2      ASN  35   3.865   7.991  -4.329
  233   2HD2  ASN  35          1HD2      ASN  35   4.516   6.361  -4.498
  234    H    CYS  36           HN       CYS  36   7.918   3.534  -3.557
  235    HA   CYS  36           HA       CYS  36   9.983   3.849  -1.450
  236   1HB   CYS  36          2HB       CYS  36   7.496   2.565  -1.425
  237   2HB   CYS  36          3HB       CYS  36   8.604   1.247  -1.768
  238    HA   PRO  37           HA       PRO  37  12.669   1.667  -4.352
  239   1HB   PRO  37          2HB       PRO  37  14.104  -0.040  -2.723
  240   2HB   PRO  37          3HB       PRO  37  14.420   1.719  -2.841
  241   1HG   PRO  37          2HG       PRO  37  12.726   0.273  -0.790
  242   2HG   PRO  37          3HG       PRO  37  14.011   1.468  -0.471
  243   1HD   PRO  37          2HD       PRO  37  11.429   2.200  -0.503
  244   2HD   PRO  37          3HD       PRO  37  12.613   3.259  -1.309
  245    HA   PRO  38           HA       PRO  38  13.871  -0.330  -5.356
  246   1HB   PRO  38          2HB       PRO  38  13.347  -1.750  -7.617
  247   2HB   PRO  38          3HB       PRO  38  13.755  -2.543  -6.074
  248   1HG   PRO  38          2HG       PRO  38  10.959  -1.991  -7.135
  249   2HG   PRO  38          3HG       PRO  38  11.627  -3.573  -6.628
  250   1HD   PRO  38          2HD       PRO  38  10.211  -2.113  -4.880
  251   2HD   PRO  38          3HD       PRO  38  11.712  -2.909  -4.356
  252    OH   TYR  39           OH       TYR  39   6.714  -3.335  -6.179
  253    H    TYR  39           HN       TYR  39  10.625   0.572  -5.931
  254    HA   TYR  39           HA       TYR  39  10.678   1.138  -8.678
  255   1HB   TYR  39          2HB       TYR  39   8.828   2.369  -6.606
  256   2HB   TYR  39          3HB       TYR  39   8.533   2.050  -8.316
  257    HD1  TYR  39           HD1      TYR  39   8.590  -0.410  -9.085
  258    HD2  TYR  39           HD2      TYR  39   8.386   0.689  -4.929
  259    HE1  TYR  39           HE1      TYR  39   7.554  -2.613  -8.536
  260    HE2  TYR  39           HE2      TYR  39   7.464  -1.533  -4.376
  261    HH   TYR  39           HH       TYR  39   6.672  -3.590  -5.241
  262    H    VAL  40           HN       VAL  40  10.839   3.324  -5.849
  263    HA   VAL  40           HA       VAL  40  11.324   5.671  -7.447
  264    HB   VAL  40           HB       VAL  40  10.396   5.577  -5.114
  265   1HG1  VAL  40          2HG1      VAL  40  12.238   3.972  -4.279
  266   2HG1  VAL  40          3HG1      VAL  40  13.287   5.375  -4.194
  267   3HG1  VAL  40          1HG1      VAL  40  11.819   5.316  -3.203
  268   1HG2  VAL  40          3HG2      VAL  40  11.143   7.655  -6.170
  269   2HG2  VAL  40          1HG2      VAL  40  11.465   7.669  -4.429
  270   3HG2  VAL  40          2HG2      VAL  40  12.793   7.382  -5.577
   
  Start of MODEL           5
 Raw file had  270 H/Q atoms
  Start of MODEL    5
    1   1H    ASP   1          2HN       ASP   1  -8.488   5.193   9.134
    2   2H    ASP   1          3HN       ASP   1  -7.156   5.844   9.838
    3   3H    ASP   1          1HN       ASP   1  -8.058   6.759   8.755
    4    HA   ASP   1           HA       ASP   1  -7.577   5.221   7.018
    5   1HB   ASP   1          2HB       ASP   1  -4.903   5.565   7.115
    6   2HB   ASP   1          3HB       ASP   1  -6.029   6.818   6.608
    7    H    ALA   2           HN       ALA   2  -5.969   3.605   6.287
    8    HA   ALA   2           HA       ALA   2  -4.712   1.826   8.221
    9   1HB   ALA   2          3HB       ALA   2  -7.375   1.092   7.102
   10   2HB   ALA   2          1HB       ALA   2  -6.126  -0.129   6.863
   11   3HB   ALA   2          2HB       ALA   2  -6.506   0.422   8.498
   12    H    CYS   3           HN       CYS   3  -6.111   1.335   4.978
   13    HA   CYS   3           HA       CYS   3  -3.896   0.456   3.583
   14   1HB   CYS   3          2HB       CYS   3  -6.269   2.229   2.897
   15   2HB   CYS   3          3HB       CYS   3  -5.061   1.946   1.678
   16    H    GLU   4           HN       GLU   4  -4.788   3.841   4.195
   17    HA   GLU   4           HA       GLU   4  -2.588   5.011   2.833
   18   1HB   GLU   4          2HB       GLU   4  -4.053   6.191   5.242
   19   2HB   GLU   4          3HB       GLU   4  -3.244   7.024   3.932
   20   1HG   GLU   4          2HG       GLU   4  -5.534   7.274   3.481
   21   2HG   GLU   4          3HG       GLU   4  -4.994   6.011   2.349
   22    H    GLN   5           HN       GLN   5  -3.011   4.163   6.337
   23    HA   GLN   5           HA       GLN   5  -0.383   5.121   6.985
   24   1HB   GLN   5          2HB       GLN   5  -0.592   4.068   9.126
   25   2HB   GLN   5          3HB       GLN   5  -2.060   4.992   8.744
   26   1HG   GLN   5          2HG       GLN   5  -3.345   3.263   8.522
   27   2HG   GLN   5          3HG       GLN   5  -2.042   2.040   8.319
   28   1HE2  GLN   5          2HE2      GLN   5  -1.271   1.884  11.817
   29   2HE2  GLN   5          1HE2      GLN   5  -0.452   1.940  10.246
   30    H    ALA   6           HN       ALA   6  -1.491   2.026   5.692
   31    HA   ALA   6           HA       ALA   6   0.948   0.529   6.209
   32   1HB   ALA   6          2HB       ALA   6  -1.385   0.320   4.318
   33   2HB   ALA   6          3HB       ALA   6   0.144  -0.319   3.720
   34   3HB   ALA   6          1HB       ALA   6  -0.559  -0.947   5.201
   35    H    ALA   7           HN       ALA   7  -0.233   2.476   3.478
   36    HA   ALA   7           HA       ALA   7   2.189   2.219   2.061
   37   1HB   ALA   7          3HB       ALA   7  -0.262   3.932   1.734
   38   2HB   ALA   7          1HB       ALA   7   1.095   3.910   0.559
   39   3HB   ALA   7          2HB       ALA   7   0.207   2.436   0.908
   40    H    ILE   8           HN       ILE   8   1.126   4.805   4.128
   41    HA   ILE   8           HA       ILE   8   3.215   6.641   3.776
   42    HB   ILE   8           HB       ILE   8   1.162   6.066   5.744
   43   1HG1  ILE   8          2HG1      ILE   8   1.424   8.537   6.207
   44   2HG1  ILE   8          3HG1      ILE   8   2.733   8.549   5.012
   45   1HG2  ILE   8          3HG2      ILE   8   3.719   6.944   7.063
   46   2HG2  ILE   8          1HG2      ILE   8   2.089   7.012   7.749
   47   3HG2  ILE   8          2HG2      ILE   8   2.796   5.445   7.366
   48   1HD1  ILE   8          2HD1      ILE   8   1.112   7.627   3.327
   49   2HD1  ILE   8          3HD1      ILE   8  -0.152   7.639   4.583
   50   3HD1  ILE   8          1HD1      ILE   8   0.565   9.167   4.031
   51    H    GLN   9           HN       GLN   9   3.218   3.591   5.624
   52    HA   GLN   9           HA       GLN   9   5.868   4.089   6.670
   53   1HB   GLN   9          2HB       GLN   9   4.028   2.906   7.866
   54   2HB   GLN   9          3HB       GLN   9   4.171   1.561   6.741
   55   1HG   GLN   9          2HG       GLN   9   5.324   1.185   8.920
   56   2HG   GLN   9          3HG       GLN   9   6.432   1.101   7.549
   57   1HE2  GLN   9          2HE2      GLN   9   6.813   4.305  10.129
   58   2HE2  GLN   9          1HE2      GLN   9   5.291   3.423  10.119
   59    H    CYS  10           HN       CYS  10   4.802   3.108   3.615
   60    HA   CYS  10           HA       CYS  10   5.947   2.536   1.765
   61   1HB   CYS  10          2HB       CYS  10   7.574   4.169   2.991
   62   2HB   CYS  10          3HB       CYS  10   8.579   2.750   3.247
   63    H    VAL  11           HN       VAL  11   4.816   0.461   3.033
   64    HA   VAL  11           HA       VAL  11   6.801  -1.721   2.921
   65    HB   VAL  11           HB       VAL  11   4.744  -2.517   4.618
   66   1HG1  VAL  11          3HG1      VAL  11   7.109  -3.301   4.503
   67   2HG1  VAL  11          1HG1      VAL  11   7.591  -1.786   5.296
   68   3HG1  VAL  11          2HG1      VAL  11   6.534  -2.937   6.145
   69   1HG2  VAL  11          1HG2      VAL  11   4.363  -0.123   5.095
   70   2HG2  VAL  11          2HG2      VAL  11   5.040  -1.000   6.494
   71   3HG2  VAL  11          3HG2      VAL  11   6.104   0.019   5.503
   72    H    GLU  12           HN       GLU  12   6.209  -2.738   1.043
   73    HA   GLU  12           HA       GLU  12   3.686  -2.592  -0.240
   74   1HB   GLU  12          2HB       GLU  12   6.096  -3.529  -0.976
   75   2HB   GLU  12          3HB       GLU  12   5.347  -5.062  -0.508
   76   1HG   GLU  12          2HG       GLU  12   3.443  -4.436  -2.149
   77   2HG   GLU  12          3HG       GLU  12   4.477  -3.109  -2.700
   78    H    SER  13           HN       SER  13   5.056  -4.923   1.956
   79    HA   SER  13           HA       SER  13   2.724  -6.526   1.986
   80   1HB   SER  13          2HB       SER  13   4.868  -6.575   4.148
   81   2HB   SER  13          3HB       SER  13   3.786  -7.895   3.678
   82    HG   SER  13           HG       SER  13   5.865  -6.700   2.139
   83    H    ALA  14           HN       ALA  14   3.152  -3.540   3.494
   84    HA   ALA  14           HA       ALA  14   1.311  -4.126   5.699
   85   1HB   ALA  14          1HB       ALA  14   2.867  -2.206   5.882
   86   2HB   ALA  14          2HB       ALA  14   1.996  -1.405   4.557
   87   3HB   ALA  14          3HB       ALA  14   1.178  -1.815   6.092
   88    H    CYS  15           HN       CYS  15   1.070  -2.482   2.389
   89    HA   CYS  15           HA       CYS  15  -1.742  -2.321   2.403
   90   1HB   CYS  15          2HB       CYS  15   0.123  -3.072   0.047
   91   2HB   CYS  15          3HB       CYS  15  -1.525  -2.469  -0.069
   92    H    GLU  16           HN       GLU  16   0.363  -5.083   1.424
   93    HA   GLU  16           HA       GLU  16  -1.582  -6.901   0.589
   94   1HB   GLU  16          2HB       GLU  16   0.837  -7.320   2.377
   95   2HB   GLU  16          3HB       GLU  16  -0.138  -8.651   1.901
   96   1HG   GLU  16          2HG       GLU  16   1.124  -6.807  -0.169
   97   2HG   GLU  16          3HG       GLU  16   1.959  -8.219   0.505
   98    H    SER  17           HN       SER  17  -0.389  -6.737   3.946
   99    HA   SER  17           HA       SER  17  -2.412  -8.502   4.893
  100   1HB   SER  17          2HB       SER  17  -0.749  -6.623   6.601
  101   2HB   SER  17          3HB       SER  17  -1.365  -8.244   6.987
  102    HG   SER  17           HG       SER  17   0.751  -7.489   5.251
  103    H    LEU  18           HN       LEU  18  -2.306  -5.038   4.559
  104    HA   LEU  18           HA       LEU  18  -4.349  -4.532   6.585
  105   1HB   LEU  18          2HB       LEU  18  -2.225  -3.317   6.401
  106   2HB   LEU  18          3HB       LEU  18  -2.733  -2.645   4.841
  107    HG   LEU  18           HG       LEU  18  -4.220  -1.239   5.735
  108   1HD1  LEU  18          3HD1      LEU  18  -4.285  -3.036   8.238
  109   2HD1  LEU  18          1HD1      LEU  18  -5.027  -1.455   8.252
  110   3HD1  LEU  18          2HD1      LEU  18  -5.652  -2.684   7.152
  111   1HD2  LEU  18          1HD2      LEU  18  -2.052  -1.627   7.862
  112   2HD2  LEU  18          2HD2      LEU  18  -2.086  -0.449   6.538
  113   3HD2  LEU  18          3HD2      LEU  18  -3.166  -0.256   7.903
  114    H    CYS  19           HN       CYS  19  -3.990  -3.935   3.005
  115    HA   CYS  19           HA       CYS  19  -6.800  -3.080   2.936
  116   1HB   CYS  19          2HB       CYS  19  -4.860  -3.539   0.673
  117   2HB   CYS  19          3HB       CYS  19  -6.453  -2.730   0.493
  118    H    THR  20           HN       THR  20  -8.276  -4.242   1.487
  119    HA   THR  20           HA       THR  20  -7.903  -7.170   1.420
  120    HB   THR  20           HB       THR  20 -10.149  -5.342   0.436
  121    HG1  THR  20          1HG       THR  20  -9.736  -5.633   2.738
  122   1HG2  THR  20          2HG2      THR  20  -9.827  -8.374   0.504
  123   2HG2  THR  20          3HG2      THR  20 -11.377  -7.549   0.238
  124   3HG2  THR  20          1HG2      THR  20 -10.078  -7.391  -0.942
  125    H    GLU  21           HN       GLU  21  -9.017  -5.098  -1.212
  126    HA   GLU  21           HA       GLU  21  -7.080  -4.926  -3.094
  127   1HB   GLU  21          2HB       GLU  21  -6.654  -7.298  -3.157
  128   2HB   GLU  21          3HB       GLU  21  -8.374  -7.686  -3.093
  129   1HG   GLU  21          2HG       GLU  21  -7.233  -8.046  -5.291
  130   2HG   GLU  21          3HG       GLU  21  -8.689  -7.044  -5.359
  131    H    GLY  22           HN       GLY  22  -8.151  -4.341  -5.129
  132   1HA   GLY  22          1HA       GLY  22  -9.924  -3.884  -6.487
  133   2HA   GLY  22          2HA       GLY  22 -11.080  -4.450  -5.269
  134    H    GLU  23           HN       GLU  23  -8.685  -1.940  -5.894
  135    HA   GLU  23           HA       GLU  23  -8.819   0.324  -5.864
  136   1HB   GLU  23          2HB       GLU  23 -11.417   0.059  -5.768
  137   2HB   GLU  23          3HB       GLU  23 -11.205   0.399  -4.053
  138   1HG   GLU  23          2HG       GLU  23 -10.110   2.192  -6.291
  139   2HG   GLU  23          3HG       GLU  23 -11.708   2.405  -5.557
  140    H    ASP  24           HN       ASP  24  -9.624  -1.602  -2.983
  141    HA   ASP  24           HA       ASP  24  -8.648   0.177  -1.074
  142   1HB   ASP  24          2HB       ASP  24  -9.970  -2.166  -0.841
  143   2HB   ASP  24          3HB       ASP  24  -8.450  -2.893  -0.815
  144    NH1  ARG  25           NH2      ARG  25  -2.091  -8.034  -2.424
  145    NH2  ARG  25           NH1      ARG  25  -3.003  -8.851  -0.476
  146    H    ARG  25           HN       ARG  25  -7.082  -2.784  -2.309
  147    HA   ARG  25           HA       ARG  25  -4.519  -2.134  -1.272
  148   1HB   ARG  25          2HB       ARG  25  -5.314  -3.794  -3.723
  149   2HB   ARG  25          3HB       ARG  25  -3.634  -3.446  -3.332
  150   1HG   ARG  25          2HG       ARG  25  -3.897  -4.355  -1.078
  151   2HG   ARG  25          3HG       ARG  25  -5.561  -4.841  -1.478
  152   1HD   ARG  25          2HD       ARG  25  -4.584  -6.275  -3.321
  153   2HD   ARG  25          3HD       ARG  25  -2.978  -5.685  -2.867
  154    HE   ARG  25           HE       ARG  25  -4.654  -6.922  -0.769
  155   1HH1  ARG  25          2HH2      ARG  25  -2.120  -7.465  -3.267
  156   2HH1  ARG  25          1HH2      ARG  25  -1.255  -8.597  -2.299
  157   1HH2  ARG  25          2HH1      ARG  25  -3.736  -8.862   0.233
  158   2HH2  ARG  25          1HH1      ARG  25  -2.192  -9.454  -0.363
  159    H    THR  26           HN       THR  26  -6.068  -1.665  -4.513
  160    HA   THR  26           HA       THR  26  -4.033  -0.784  -5.906
  161    HB   THR  26           HB       THR  26  -6.688   0.636  -6.098
  162    HG1  THR  26          1HG       THR  26  -6.369  -2.052  -6.914
  163   1HG2  THR  26          2HG2      THR  26  -5.027   0.990  -7.890
  164   2HG2  THR  26          3HG2      THR  26  -4.958  -0.762  -8.186
  165   3HG2  THR  26          1HG2      THR  26  -6.466   0.136  -8.484
  166    H    GLY  27           HN       GLY  27  -6.017   1.539  -3.884
  167   1HA   GLY  27          1HA       GLY  27  -4.412   3.803  -4.609
  168   2HA   GLY  27          2HA       GLY  27  -5.375   3.634  -3.127
  169    H    CYS  28           HN       CYS  28  -4.152   1.537  -1.874
  170    HA   CYS  28           HA       CYS  28  -2.051   2.836  -0.421
  171   1HB   CYS  28          2HB       CYS  28  -3.569   1.155   0.470
  172   2HB   CYS  28          3HB       CYS  28  -2.913  -0.103  -0.555
  173    OH   TYR  29           OH       TYR  29   1.611  -6.471  -4.528
  174    H    TYR  29           HN       TYR  29  -2.084   0.058  -2.557
  175    HA   TYR  29           HA       TYR  29   0.638  -0.585  -2.601
  176   1HB   TYR  29          2HB       TYR  29  -1.741  -1.657  -3.614
  177   2HB   TYR  29          3HB       TYR  29  -0.936  -1.143  -5.074
  178    HD1  TYR  29           HD1      TYR  29   1.326  -2.096  -5.623
  179    HD2  TYR  29           HD2      TYR  29  -1.038  -3.550  -2.326
  180    HE1  TYR  29           HE1      TYR  29   2.433  -4.293  -5.790
  181    HE2  TYR  29           HE2      TYR  29   0.061  -5.764  -2.514
  182    HH   TYR  29           HH       TYR  29   2.038  -6.494  -5.401
  183    H    MET  30           HN       MET  30  -1.392   1.353  -4.887
  184    HA   MET  30           HA       MET  30   0.671   1.826  -6.681
  185   1HB   MET  30          2HB       MET  30  -1.834   3.389  -6.096
  186   2HB   MET  30          3HB       MET  30  -0.752   3.800  -7.428
  187   1HG   MET  30          2HG       MET  30  -1.759   0.962  -7.208
  188   2HG   MET  30          3HG       MET  30  -2.799   2.241  -7.835
  189   1HE   MET  30          2HE       MET  30   0.546   0.214  -8.438
  190   2HE   MET  30          3HE       MET  30   0.962   0.747 -10.077
  191   3HE   MET  30          1HE       MET  30   1.205   1.856  -8.732
  192    OH   TYR  31           OH       TYR  31   4.064   8.379   1.479
  193    H    TYR  31           HN       TYR  31  -0.196   3.733  -3.784
  194    HA   TYR  31           HA       TYR  31   1.673   5.835  -4.197
  195   1HB   TYR  31          2HB       TYR  31   0.087   5.908  -2.358
  196   2HB   TYR  31          3HB       TYR  31   0.768   4.464  -1.640
  197    HD1  TYR  31           HD1      TYR  31   3.066   4.506  -0.548
  198    HD2  TYR  31           HD2      TYR  31   1.091   8.076  -1.964
  199    HE1  TYR  31           HE1      TYR  31   4.479   5.877   0.914
  200    HE2  TYR  31           HE2      TYR  31   2.248   9.373  -0.212
  201    HH   TYR  31           HH       TYR  31   3.575   9.158   1.785
  202    H    ILE  32           HN       ILE  32   2.148   2.785  -2.347
  203    HA   ILE  32           HA       ILE  32   4.900   3.166  -1.761
  204    HB   ILE  32           HB       ILE  32   3.370   0.573  -2.267
  205   1HG1  ILE  32          2HG1      ILE  32   3.840   2.223   0.257
  206   2HG1  ILE  32          3HG1      ILE  32   2.287   1.866  -0.522
  207   1HG2  ILE  32          2HG2      ILE  32   5.925   0.327  -2.282
  208   2HG2  ILE  32          3HG2      ILE  32   5.882   0.870  -0.588
  209   3HG2  ILE  32          1HG2      ILE  32   5.070  -0.622  -1.097
  210   1HD1  ILE  32          2HD1      ILE  32   2.792  -0.592  -0.159
  211   2HD1  ILE  32          3HD1      ILE  32   4.147  -0.033   0.855
  212   3HD1  ILE  32          1HD1      ILE  32   2.492   0.304   1.333
  213    OH   TYR  33           OH       TYR  33   3.811  -2.335 -11.330
  214    H    TYR  33           HN       TYR  33   3.283   1.670  -4.465
  215    HA   TYR  33           HA       TYR  33   5.493   0.548  -5.769
  216   1HB   TYR  33          2HB       TYR  33   3.114  -0.044  -5.806
  217   2HB   TYR  33          3HB       TYR  33   2.779   1.477  -6.636
  218    HD1  TYR  33           HD1      TYR  33   3.853   1.623  -9.088
  219    HD2  TYR  33           HD2      TYR  33   3.381  -2.012  -6.843
  220    HE1  TYR  33           HE1      TYR  33   4.008   0.290 -11.188
  221    HE2  TYR  33           HE2      TYR  33   3.334  -3.308  -8.915
  222    HH   TYR  33           HH       TYR  33   3.679  -3.279 -11.147
  223    H    SER  34           HN       SER  34   4.216   3.848  -5.697
  224    HA   SER  34           HA       SER  34   6.137   4.760  -7.800
  225   1HB   SER  34          2HB       SER  34   3.700   6.056  -6.510
  226   2HB   SER  34          3HB       SER  34   4.794   6.806  -7.668
  227    HG   SER  34           HG       SER  34   4.259   4.654  -8.882
  228    H    ASN  35           HN       ASN  35   6.044   4.442  -4.454
  229    HA   ASN  35           HA       ASN  35   7.847   6.814  -4.099
  230   1HB   ASN  35          2HB       ASN  35   5.625   5.685  -2.321
  231   2HB   ASN  35          3HB       ASN  35   6.872   6.761  -1.730
  232   1HD2  ASN  35          2HD2      ASN  35   4.160   8.323  -4.436
  233   2HD2  ASN  35          1HD2      ASN  35   4.336   6.572  -4.254
  234    H    CYS  36           HN       CYS  36   7.720   3.443  -3.729
  235    HA   CYS  36           HA       CYS  36   9.902   3.497  -1.709
  236   1HB   CYS  36          2HB       CYS  36   7.419   2.166  -1.559
  237   2HB   CYS  36          3HB       CYS  36   8.554   0.922  -2.066
  238    HA   PRO  37           HA       PRO  37  12.124   1.444  -5.032
  239   1HB   PRO  37          2HB       PRO  37  14.232   0.354  -3.669
  240   2HB   PRO  37          3HB       PRO  37  14.082   2.108  -3.961
  241   1HG   PRO  37          2HG       PRO  37  13.243   0.575  -1.483
  242   2HG   PRO  37          3HG       PRO  37  14.237   2.060  -1.546
  243   1HD   PRO  37          2HD       PRO  37  11.583   2.127  -1.059
  244   2HD   PRO  37          3HD       PRO  37  12.356   3.407  -2.045
  245    HA   PRO  38           HA       PRO  38  13.339  -0.211  -6.017
  246   1HB   PRO  38          2HB       PRO  38  13.119  -2.286  -7.737
  247   2HB   PRO  38          3HB       PRO  38  13.964  -2.461  -6.180
  248   1HG   PRO  38          2HG       PRO  38  11.074  -3.181  -6.779
  249   2HG   PRO  38          3HG       PRO  38  12.323  -4.239  -6.065
  250   1HD   PRO  38          2HD       PRO  38  10.537  -2.806  -4.537
  251   2HD   PRO  38          3HD       PRO  38  12.212  -3.066  -3.998
  252    OH   TYR  39           OH       TYR  39   8.260  -5.136  -4.558
  253    H    TYR  39           HN       TYR  39  10.055   0.023  -5.733
  254    HA   TYR  39           HA       TYR  39   9.265  -0.338  -8.479
  255   1HB   TYR  39          2HB       TYR  39   7.686   0.743  -6.147
  256   2HB   TYR  39          3HB       TYR  39   7.052   0.042  -7.656
  257    HD1  TYR  39           HD1      TYR  39   8.268  -2.405  -8.153
  258    HD2  TYR  39           HD2      TYR  39   7.334  -0.684  -4.306
  259    HE1  TYR  39           HE1      TYR  39   8.530  -4.621  -7.095
  260    HE2  TYR  39           HE2      TYR  39   7.474  -2.928  -3.277
  261    HH   TYR  39           HH       TYR  39   7.569  -5.356  -3.917
  262    H    VAL  40           HN       VAL  40   9.261   2.433  -6.248
  263    HA   VAL  40           HA       VAL  40   8.616   4.641  -7.077
  264    HB   VAL  40           HB       VAL  40  10.290   4.135  -5.400
  265   1HG1  VAL  40          3HG1      VAL  40  11.909   2.884  -6.946
  266   2HG1  VAL  40          1HG1      VAL  40  12.518   4.486  -7.402
  267   3HG1  VAL  40          2HG1      VAL  40  12.598   3.965  -5.721
  268   1HG2  VAL  40          3HG2      VAL  40  11.007   6.540  -7.049
  269   2HG2  VAL  40          1HG2      VAL  40   9.802   6.434  -5.748
  270   3HG2  VAL  40          2HG2      VAL  40  11.529   6.199  -5.398
   
  Start of MODEL           6
 Raw file had  270 H/Q atoms
  Start of MODEL    6
    1   1H    ASP   1          1HN       ASP   1  -9.130   0.986  10.270
    2   2H    ASP   1          2HN       ASP   1  -8.931   2.493  10.888
    3   3H    ASP   1          3HN       ASP   1 -10.192   2.172   9.832
    4    HA   ASP   1           HA       ASP   1  -8.615   1.823   8.070
    5   1HB   ASP   1          2HB       ASP   1  -7.476   4.043   7.965
    6   2HB   ASP   1          3HB       ASP   1  -9.171   4.182   8.375
    7    H    ALA   2           HN       ALA   2  -6.200   2.377   7.557
    8    HA   ALA   2           HA       ALA   2  -4.054   2.058   9.164
    9   1HB   ALA   2          3HB       ALA   2  -4.998  -0.168   9.844
   10   2HB   ALA   2          1HB       ALA   2  -5.024  -0.591   8.112
   11   3HB   ALA   2          2HB       ALA   2  -3.478  -0.235   8.964
   12    H    CYS   3           HN       CYS   3  -5.747   1.241   6.118
   13    HA   CYS   3           HA       CYS   3  -3.727   0.441   4.468
   14   1HB   CYS   3          2HB       CYS   3  -6.163   2.202   4.001
   15   2HB   CYS   3          3HB       CYS   3  -5.030   1.950   2.679
   16    H    GLU   4           HN       GLU   4  -4.580   3.881   4.951
   17    HA   GLU   4           HA       GLU   4  -2.691   4.798   2.991
   18   1HB   GLU   4          2HB       GLU   4  -4.880   5.854   4.352
   19   2HB   GLU   4          3HB       GLU   4  -3.544   6.720   5.112
   20   1HG   GLU   4          2HG       GLU   4  -4.031   6.486   2.099
   21   2HG   GLU   4          3HG       GLU   4  -4.665   7.798   3.086
   22    H    GLN   5           HN       GLN   5  -2.768   4.692   6.552
   23    HA   GLN   5           HA       GLN   5  -0.145   5.709   6.941
   24   1HB   GLN   5          2HB       GLN   5  -0.236   4.844   9.192
   25   2HB   GLN   5          3HB       GLN   5  -1.798   5.578   8.743
   26   1HG   GLN   5          2HG       GLN   5  -2.797   3.537   8.479
   27   2HG   GLN   5          3HG       GLN   5  -1.283   2.603   8.679
   28   1HE2  GLN   5          2HE2      GLN   5  -1.953   2.185  12.086
   29   2HE2  GLN   5          1HE2      GLN   5  -1.589   1.420  10.536
   30    H    ALA   6           HN       ALA   6  -1.245   2.331   6.240
   31    HA   ALA   6           HA       ALA   6   1.289   1.086   6.776
   32   1HB   ALA   6          3HB       ALA   6  -1.138   0.350   5.088
   33   2HB   ALA   6          1HB       ALA   6   0.300  -0.646   5.148
   34   3HB   ALA   6          2HB       ALA   6  -0.614  -0.326   6.641
   35    H    ALA   7           HN       ALA   7  -0.230   2.602   3.919
   36    HA   ALA   7           HA       ALA   7   1.940   1.942   2.228
   37   1HB   ALA   7          1HB       ALA   7  -0.576   2.846   1.823
   38   2HB   ALA   7          2HB       ALA   7   0.340   4.324   1.524
   39   3HB   ALA   7          3HB       ALA   7   0.704   2.861   0.580
   40    H    ILE   8           HN       ILE   8   1.308   4.752   4.191
   41    HA   ILE   8           HA       ILE   8   3.551   6.332   3.417
   42    HB   ILE   8           HB       ILE   8   1.636   6.203   5.657
   43   1HG1  ILE   8          2HG1      ILE   8   2.110   8.675   5.670
   44   2HG1  ILE   8          3HG1      ILE   8   3.274   8.416   4.363
   45   1HG2  ILE   8          2HG2      ILE   8   4.452   7.042   6.348
   46   2HG2  ILE   8          3HG2      ILE   8   2.990   7.352   7.310
   47   3HG2  ILE   8          1HG2      ILE   8   3.517   5.692   7.064
   48   1HD1  ILE   8          1HD1      ILE   8   0.316   7.663   4.351
   49   2HD1  ILE   8          2HD1      ILE   8   1.021   9.080   3.546
   50   3HD1  ILE   8          3HD1      ILE   8   1.436   7.440   2.983
   51    H    GLN   9           HN       GLN   9   3.228   3.489   5.568
   52    HA   GLN   9           HA       GLN   9   5.851   3.725   6.648
   53   1HB   GLN   9          2HB       GLN   9   3.839   2.243   7.488
   54   2HB   GLN   9          3HB       GLN   9   4.400   1.112   6.298
   55   1HG   GLN   9          2HG       GLN   9   6.771   1.505   7.445
   56   2HG   GLN   9          3HG       GLN   9   5.785   2.069   8.768
   57   1HE2  GLN   9          2HE2      GLN   9   4.186  -1.202   9.260
   58   2HE2  GLN   9          1HE2      GLN   9   3.625   0.425   8.942
   59    H    CYS  10           HN       CYS  10   4.739   2.782   3.492
   60    HA   CYS  10           HA       CYS  10   5.899   2.546   1.613
   61   1HB   CYS  10          2HB       CYS  10   7.606   3.913   3.056
   62   2HB   CYS  10          3HB       CYS  10   8.560   2.434   3.076
   63    H    VAL  11           HN       VAL  11   4.714   0.383   2.818
   64    HA   VAL  11           HA       VAL  11   6.436  -1.894   2.110
   65    HB   VAL  11           HB       VAL  11   4.683  -2.755   4.061
   66   1HG1  VAL  11          1HG1      VAL  11   6.902  -3.705   3.566
   67   2HG1  VAL  11          2HG1      VAL  11   7.679  -2.229   4.169
   68   3HG1  VAL  11          3HG1      VAL  11   6.773  -3.283   5.281
   69   1HG2  VAL  11          1HG2      VAL  11   4.487  -0.451   4.781
   70   2HG2  VAL  11          2HG2      VAL  11   5.307  -1.495   5.976
   71   3HG2  VAL  11          3HG2      VAL  11   6.279  -0.377   4.978
   72    H    GLU  12           HN       GLU  12   5.373  -2.687   0.252
   73    HA   GLU  12           HA       GLU  12   2.550  -2.499  -0.356
   74   1HB   GLU  12          2HB       GLU  12   4.741  -4.399  -1.206
   75   2HB   GLU  12          3HB       GLU  12   3.081  -4.559  -1.766
   76   1HG   GLU  12          2HG       GLU  12   3.103  -2.400  -2.873
   77   2HG   GLU  12          3HG       GLU  12   4.696  -2.004  -2.224
   78    H    SER  13           HN       SER  13   4.472  -4.956   1.194
   79    HA   SER  13           HA       SER  13   2.224  -6.605   1.684
   80   1HB   SER  13          2HB       SER  13   3.764  -7.954   3.157
   81   2HB   SER  13          3HB       SER  13   4.452  -7.594   1.567
   82    HG   SER  13           HG       SER  13   5.526  -5.811   2.510
   83    H    ALA  14           HN       ALA  14   2.954  -3.751   3.269
   84    HA   ALA  14           HA       ALA  14   1.545  -4.517   5.743
   85   1HB   ALA  14          2HB       ALA  14   3.120  -2.673   5.838
   86   2HB   ALA  14          3HB       ALA  14   2.180  -1.766   4.629
   87   3HB   ALA  14          1HB       ALA  14   1.478  -2.165   6.219
   88    H    CYS  15           HN       CYS  15   0.760  -2.584   2.640
   89    HA   CYS  15           HA       CYS  15  -2.018  -2.515   3.337
   90   1HB   CYS  15          2HB       CYS  15  -0.408  -2.130   0.822
   91   2HB   CYS  15          3HB       CYS  15  -2.175  -2.147   0.780
   92    H    GLU  16           HN       GLU  16  -0.144  -4.985   1.544
   93    HA   GLU  16           HA       GLU  16  -2.245  -6.546   0.595
   94   1HB   GLU  16          2HB       GLU  16   0.289  -7.424   1.996
   95   2HB   GLU  16          3HB       GLU  16  -0.801  -8.507   1.129
   96   1HG   GLU  16          2HG       GLU  16  -0.514  -7.296  -0.958
   97   2HG   GLU  16          3HG       GLU  16   0.585  -6.142  -0.179
   98    H    SER  17           HN       SER  17  -1.139  -6.207   3.928
   99    HA   SER  17           HA       SER  17  -3.017  -8.218   4.978
  100   1HB   SER  17          2HB       SER  17  -0.987  -8.145   6.091
  101   2HB   SER  17          3HB       SER  17  -0.908  -6.385   6.167
  102    HG   SER  17           HG       SER  17  -2.675  -6.431   7.621
  103    H    LEU  18           HN       LEU  18  -2.563  -4.639   5.125
  104    HA   LEU  18           HA       LEU  18  -4.855  -4.361   6.849
  105   1HB   LEU  18          2HB       LEU  18  -3.159  -2.377   5.261
  106   2HB   LEU  18          3HB       LEU  18  -4.556  -1.888   6.201
  107    HG   LEU  18           HG       LEU  18  -2.707  -1.427   7.421
  108   1HD1  LEU  18          1HD1      LEU  18  -4.714  -2.713   8.623
  109   2HD1  LEU  18          2HD1      LEU  18  -3.580  -4.068   8.719
  110   3HD1  LEU  18          3HD1      LEU  18  -3.204  -2.553   9.547
  111   1HD2  LEU  18          3HD2      LEU  18  -0.975  -2.701   6.574
  112   2HD2  LEU  18          1HD2      LEU  18  -1.053  -2.924   8.327
  113   3HD2  LEU  18          2HD2      LEU  18  -1.650  -4.217   7.261
  114    H    CYS  19           HN       CYS  19  -4.362  -3.795   3.384
  115    HA   CYS  19           HA       CYS  19  -7.001  -2.617   3.121
  116   1HB   CYS  19          2HB       CYS  19  -4.899  -3.174   0.996
  117   2HB   CYS  19          3HB       CYS  19  -6.427  -2.323   0.737
  118    H    THR  20           HN       THR  20  -8.562  -3.668   1.607
  119    HA   THR  20           HA       THR  20  -8.490  -6.588   1.623
  120    HB   THR  20           HB       THR  20 -10.360  -4.836  -0.015
  121    HG1  THR  20          1HG       THR  20 -10.147  -5.165   2.692
  122   1HG2  THR  20          1HG2      THR  20 -10.461  -7.641   1.201
  123   2HG2  THR  20          2HG2      THR  20 -11.762  -6.893   0.241
  124   3HG2  THR  20          3HG2      THR  20 -10.217  -7.320  -0.513
  125    H    GLU  21           HN       GLU  21  -9.375  -5.551  -1.578
  126    HA   GLU  21           HA       GLU  21  -6.832  -5.290  -2.716
  127   1HB   GLU  21          2HB       GLU  21  -6.678  -7.739  -2.145
  128   2HB   GLU  21          3HB       GLU  21  -8.102  -8.049  -3.127
  129   1HG   GLU  21          2HG       GLU  21  -6.948  -7.598  -5.133
  130   2HG   GLU  21          3HG       GLU  21  -5.712  -6.633  -4.324
  131    H    GLY  22           HN       GLY  22  -7.130  -5.076  -5.081
  132   1HA   GLY  22          1HA       GLY  22  -8.383  -5.244  -7.060
  133   2HA   GLY  22          2HA       GLY  22  -9.910  -5.222  -6.155
  134    H    GLU  23           HN       GLU  23  -8.643  -3.078  -4.461
  135    HA   GLU  23           HA       GLU  23  -8.567  -0.613  -5.992
  136   1HB   GLU  23          2HB       GLU  23 -11.165  -1.645  -4.883
  137   2HB   GLU  23          3HB       GLU  23 -10.763   0.046  -4.572
  138   1HG   GLU  23          2HG       GLU  23 -10.426   0.482  -6.962
  139   2HG   GLU  23          3HG       GLU  23 -10.854  -1.182  -7.361
  140    H    ASP  24           HN       ASP  24  -9.619  -1.971  -2.811
  141    HA   ASP  24           HA       ASP  24  -8.724   0.161  -1.291
  142   1HB   ASP  24          2HB       ASP  24  -9.993  -2.007  -0.520
  143   2HB   ASP  24          3HB       ASP  24  -8.450  -2.785  -0.433
  144    NH1  ARG  25           NH2      ARG  25  -3.083  -8.728  -1.781
  145    NH2  ARG  25           NH1      ARG  25  -4.780  -9.032  -0.232
  146    H    ARG  25           HN       ARG  25  -6.982  -2.846  -2.104
  147    HA   ARG  25           HA       ARG  25  -4.499  -1.905  -1.089
  148   1HB   ARG  25          2HB       ARG  25  -5.148  -3.957  -3.265
  149   2HB   ARG  25          3HB       ARG  25  -3.484  -3.423  -3.035
  150   1HG   ARG  25          2HG       ARG  25  -3.550  -4.086  -0.664
  151   2HG   ARG  25          3HG       ARG  25  -5.223  -4.594  -0.909
  152   1HD   ARG  25          2HD       ARG  25  -4.076  -6.091  -2.851
  153   2HD   ARG  25          3HD       ARG  25  -2.633  -5.869  -1.839
  154    HE   ARG  25           HE       ARG  25  -5.000  -6.593  -0.336
  155   1HH1  ARG  25          2HH2      ARG  25  -2.546  -8.132  -2.397
  156   2HH1  ARG  25          1HH2      ARG  25  -3.048  -9.731  -1.966
  157   1HH2  ARG  25          2HH1      ARG  25  -5.582  -8.658   0.284
  158   2HH2  ARG  25          1HH1      ARG  25  -4.694 -10.048  -0.248
  159    H    THR  26           HN       THR  26  -5.797  -1.935  -4.597
  160    HA   THR  26           HA       THR  26  -3.699  -0.909  -5.805
  161    HB   THR  26           HB       THR  26  -6.447   0.250  -6.345
  162    HG1  THR  26          1HG       THR  26  -6.893  -1.555  -7.455
  163   1HG2  THR  26          2HG2      THR  26  -4.057  -0.513  -8.097
  164   2HG2  THR  26          3HG2      THR  26  -5.609   0.059  -8.734
  165   3HG2  THR  26          1HG2      THR  26  -4.619   1.139  -7.754
  166    H    GLY  27           HN       GLY  27  -6.112   1.308  -4.196
  167   1HA   GLY  27          1HA       GLY  27  -4.736   3.656  -5.042
  168   2HA   GLY  27          2HA       GLY  27  -5.864   3.556  -3.677
  169    H    CYS  28           HN       CYS  28  -4.305   1.556  -2.197
  170    HA   CYS  28           HA       CYS  28  -2.278   3.184  -0.864
  171   1HB   CYS  28          2HB       CYS  28  -3.306   1.444   0.477
  172   2HB   CYS  28          3HB       CYS  28  -3.029   0.201  -0.691
  173    OH   TYR  29           OH       TYR  29   1.569  -6.276  -3.628
  174    H    TYR  29           HN       TYR  29  -2.175   0.268  -2.798
  175    HA   TYR  29           HA       TYR  29   0.482  -0.271  -2.673
  176   1HB   TYR  29          2HB       TYR  29  -1.816  -1.342  -3.896
  177   2HB   TYR  29          3HB       TYR  29  -0.826  -0.953  -5.267
  178    HD1  TYR  29           HD2      TYR  29  -1.236  -2.968  -2.222
  179    HD2  TYR  29           HD1      TYR  29   1.358  -2.196  -5.578
  180    HE1  TYR  29           HE2      TYR  29  -0.313  -5.247  -2.025
  181    HE2  TYR  29           HE1      TYR  29   2.349  -4.426  -5.310
  182    HH   TYR  29           HH       TYR  29   1.495  -6.703  -2.759
  183    H    MET  30           HN       MET  30  -1.289   1.499  -5.200
  184    HA   MET  30           HA       MET  30   0.765   2.232  -6.920
  185   1HB   MET  30          2HB       MET  30  -1.853   3.531  -6.116
  186   2HB   MET  30          3HB       MET  30  -0.848   4.185  -7.406
  187   1HG   MET  30          2HG       MET  30  -2.013   1.362  -7.318
  188   2HG   MET  30          3HG       MET  30  -2.581   2.701  -8.291
  189   1HE   MET  30          3HE       MET  30  -0.938   3.792 -10.184
  190   2HE   MET  30          1HE       MET  30   0.565   3.694  -9.235
  191   3HE   MET  30          2HE       MET  30   0.485   2.943 -10.842
  192    OH   TYR  31           OH       TYR  31   4.928   8.673   0.466
  193    H    TYR  31           HN       TYR  31  -0.056   3.778  -3.766
  194    HA   TYR  31           HA       TYR  31   1.708   6.025  -4.116
  195   1HB   TYR  31          2HB       TYR  31   0.054   5.859  -2.153
  196   2HB   TYR  31          3HB       TYR  31   0.956   4.508  -1.550
  197    HD1  TYR  31           HD2      TYR  31   1.371   8.145  -2.305
  198    HD2  TYR  31           HD1      TYR  31   2.818   4.702  -0.157
  199    HE1  TYR  31           HE2      TYR  31   3.048   9.548  -1.166
  200    HE2  TYR  31           HE1      TYR  31   4.519   6.097   0.949
  201    HH   TYR  31           HH       TYR  31   5.623   8.098   0.811
  202    H    ILE  32           HN       ILE  32   2.171   2.904  -2.520
  203    HA   ILE  32           HA       ILE  32   4.867   3.377  -1.715
  204    HB   ILE  32           HB       ILE  32   3.584   0.667  -2.305
  205   1HG1  ILE  32          2HG1      ILE  32   3.306   2.464   0.135
  206   2HG1  ILE  32          3HG1      ILE  32   2.015   1.889  -0.952
  207   1HG2  ILE  32          1HG2      ILE  32   5.797   1.520  -0.392
  208   2HG2  ILE  32          2HG2      ILE  32   5.156  -0.126  -0.540
  209   3HG2  ILE  32          3HG2      ILE  32   6.009   0.597  -1.891
  210   1HD1  ILE  32          3HD1      ILE  32   2.853  -0.453  -0.339
  211   2HD1  ILE  32          1HD1      ILE  32   3.509   0.384   1.098
  212   3HD1  ILE  32          2HD1      ILE  32   1.769   0.386   0.767
  213    OH   TYR  33           OH       TYR  33   3.147  -1.271 -11.706
  214    H    TYR  33           HN       TYR  33   3.435   1.663  -4.372
  215    HA   TYR  33           HA       TYR  33   5.609   0.691  -5.803
  216   1HB   TYR  33          2HB       TYR  33   3.255   0.067  -5.944
  217   2HB   TYR  33          3HB       TYR  33   2.865   1.673  -6.564
  218    HD1  TYR  33           HD2      TYR  33   4.249  -1.652  -7.315
  219    HD2  TYR  33           HD1      TYR  33   3.233   2.251  -8.866
  220    HE1  TYR  33           HE2      TYR  33   3.888  -2.624  -9.582
  221    HE2  TYR  33           HE1      TYR  33   2.878   1.276 -11.090
  222    HH   TYR  33           HH       TYR  33   3.328  -0.603 -12.388
  223    H    SER  34           HN       SER  34   4.241   3.998  -5.621
  224    HA   SER  34           HA       SER  34   5.891   4.894  -7.935
  225   1HB   SER  34          2HB       SER  34   3.874   6.365  -6.210
  226   2HB   SER  34          3HB       SER  34   4.739   6.990  -7.623
  227    HG   SER  34           HG       SER  34   3.021   4.711  -7.538
  228    H    ASN  35           HN       ASN  35   6.098   4.614  -4.493
  229    HA   ASN  35           HA       ASN  35   8.002   6.949  -4.369
  230   1HB   ASN  35          2HB       ASN  35   5.996   5.830  -2.362
  231   2HB   ASN  35          3HB       ASN  35   7.345   6.847  -1.880
  232   1HD2  ASN  35          2HD2      ASN  35   4.144   8.618  -3.706
  233   2HD2  ASN  35          1HD2      ASN  35   4.319   6.867  -3.740
  234    H    CYS  36           HN       CYS  36   7.833   3.532  -3.762
  235    HA   CYS  36           HA       CYS  36  10.127   3.733  -1.877
  236   1HB   CYS  36          2HB       CYS  36   7.693   2.385  -1.579
  237   2HB   CYS  36          3HB       CYS  36   8.814   1.122  -2.119
  238    HA   PRO  37           HA       PRO  37  12.426   1.545  -5.109
  239   1HB   PRO  37          2HB       PRO  37  14.600   0.680  -3.730
  240   2HB   PRO  37          3HB       PRO  37  14.355   2.403  -4.132
  241   1HG   PRO  37          2HG       PRO  37  13.735   0.998  -1.526
  242   2HG   PRO  37          3HG       PRO  37  14.582   2.554  -1.752
  243   1HD   PRO  37          2HD       PRO  37  11.899   2.327  -1.152
  244   2HD   PRO  37          3HD       PRO  37  12.533   3.695  -2.119
  245    HA   PRO  38           HA       PRO  38  13.593  -0.098  -6.109
  246   1HB   PRO  38          2HB       PRO  38  13.491  -2.333  -7.574
  247   2HB   PRO  38          3HB       PRO  38  14.353  -2.314  -6.015
  248   1HG   PRO  38          2HG       PRO  38  11.493  -3.216  -6.481
  249   2HG   PRO  38          3HG       PRO  38  12.808  -4.177  -5.738
  250   1HD   PRO  38          2HD       PRO  38  11.036  -2.722  -4.238
  251   2HD   PRO  38          3HD       PRO  38  12.758  -2.839  -3.779
  252    OH   TYR  39           OH       TYR  39   7.858  -3.950  -2.855
  253    H    TYR  39           HN       TYR  39  10.431   0.314  -5.660
  254    HA   TYR  39           HA       TYR  39   9.381  -0.444  -8.274
  255   1HB   TYR  39          2HB       TYR  39   7.930   1.127  -6.169
  256   2HB   TYR  39          3HB       TYR  39   7.286   0.036  -7.400
  257    HD1  TYR  39           HD1      TYR  39   8.501  -2.489  -7.107
  258    HD2  TYR  39           HD2      TYR  39   7.691   0.411  -4.023
  259    HE1  TYR  39           HE1      TYR  39   8.457  -4.291  -5.402
  260    HE2  TYR  39           HE2      TYR  39   7.749  -1.360  -2.326
  261    HH   TYR  39           HH       TYR  39   7.080  -4.456  -3.151
  262    H    VAL  40           HN       VAL  40   9.607   2.562  -6.358
  263    HA   VAL  40           HA       VAL  40   8.583   4.472  -7.818
  264    HB   VAL  40           HB       VAL  40   9.563   4.958  -5.777
  265   1HG1  VAL  40          2HG1      VAL  40  11.507   3.413  -5.794
  266   2HG1  VAL  40          3HG1      VAL  40  12.348   4.492  -6.885
  267   3HG1  VAL  40          1HG1      VAL  40  11.937   5.034  -5.248
  268   1HG2  VAL  40          2HG2      VAL  40   9.569   6.846  -7.464
  269   2HG2  VAL  40          3HG2      VAL  40  10.700   7.029  -6.108
  270   3HG2  VAL  40          1HG2      VAL  40  11.293   6.524  -7.706
   
  Start of MODEL           7
 Raw file had  270 H/Q atoms
  Start of MODEL    7
    1   1H    ASP   1          2HN       ASP   1  -5.218   6.868   8.242
    2   2H    ASP   1          3HN       ASP   1  -5.590   6.930   6.625
    3   3H    ASP   1          1HN       ASP   1  -6.580   7.604   7.750
    4    HA   ASP   1           HA       ASP   1  -7.165   5.442   8.611
    5   1HB   ASP   1          2HB       ASP   1  -8.193   4.404   6.609
    6   2HB   ASP   1          3HB       ASP   1  -8.378   6.147   6.541
    7    H    ALA   2           HN       ALA   2  -7.121   3.097   7.908
    8    HA   ALA   2           HA       ALA   2  -4.732   1.873   8.590
    9   1HB   ALA   2          2HB       ALA   2  -7.044   0.864   6.860
   10   2HB   ALA   2          3HB       ALA   2  -5.751  -0.161   7.468
   11   3HB   ALA   2          1HB       ALA   2  -6.820   0.653   8.606
   12    H    CYS   3           HN       CYS   3  -6.047   1.813   5.284
   13    HA   CYS   3           HA       CYS   3  -3.891   0.717   3.965
   14   1HB   CYS   3          2HB       CYS   3  -6.052   2.638   3.074
   15   2HB   CYS   3          3HB       CYS   3  -4.811   2.153   1.976
   16    H    GLU   4           HN       GLU   4  -4.533   4.284   4.137
   17    HA   GLU   4           HA       GLU   4  -1.986   4.772   2.880
   18   1HB   GLU   4          2HB       GLU   4  -3.745   6.735   4.384
   19   2HB   GLU   4          3HB       GLU   4  -2.224   7.109   3.553
   20   1HG   GLU   4          2HG       GLU   4  -3.269   5.854   1.505
   21   2HG   GLU   4          3HG       GLU   4  -4.820   6.093   2.340
   22    H    GLN   5           HN       GLN   5  -2.798   4.383   6.340
   23    HA   GLN   5           HA       GLN   5  -0.221   5.254   7.248
   24   1HB   GLN   5          2HB       GLN   5  -2.306   3.418   8.404
   25   2HB   GLN   5          3HB       GLN   5  -0.739   3.662   9.196
   26   1HG   GLN   5          2HG       GLN   5  -1.065   6.059   9.264
   27   2HG   GLN   5          3HG       GLN   5  -2.600   5.943   8.408
   28   1HE2  GLN   5          2HE2      GLN   5  -3.052   6.105  12.212
   29   2HE2  GLN   5          1HE2      GLN   5  -1.813   6.867  11.210
   30    H    ALA   6           HN       ALA   6  -1.368   2.080   6.037
   31    HA   ALA   6           HA       ALA   6   1.056   0.604   6.440
   32   1HB   ALA   6          3HB       ALA   6  -1.274   0.406   4.542
   33   2HB   ALA   6          1HB       ALA   6   0.222  -0.329   4.015
   34   3HB   ALA   6          2HB       ALA   6  -0.513  -0.820   5.544
   35    H    ALA   7           HN       ALA   7  -0.043   2.527   3.614
   36    HA   ALA   7           HA       ALA   7   2.501   2.160   2.348
   37   1HB   ALA   7          1HB       ALA   7   0.099   3.831   1.645
   38   2HB   ALA   7          2HB       ALA   7   1.592   3.762   0.660
   39   3HB   ALA   7          3HB       ALA   7   0.683   2.296   0.962
   40    H    ILE   8           HN       ILE   8   1.446   4.641   4.520
   41    HA   ILE   8           HA       ILE   8   3.540   6.514   4.123
   42    HB   ILE   8           HB       ILE   8   1.605   5.795   6.220
   43   1HG1  ILE   8          2HG1      ILE   8   1.942   8.290   6.778
   44   2HG1  ILE   8          3HG1      ILE   8   2.979   8.339   5.347
   45   1HG2  ILE   8          2HG2      ILE   8   4.287   6.706   7.245
   46   2HG2  ILE   8          3HG2      ILE   8   2.750   6.692   8.140
   47   3HG2  ILE   8          1HG2      ILE   8   3.452   5.171   7.609
   48   1HD1  ILE   8          1HD1      ILE   8   1.003   7.348   4.060
   49   2HD1  ILE   8          2HD1      ILE   8   0.040   7.563   5.540
   50   3HD1  ILE   8          3HD1      ILE   8   0.725   8.978   4.719
   51    H    GLN   9           HN       GLN   9   3.431   3.287   5.695
   52    HA   GLN   9           HA       GLN   9   6.091   3.628   6.722
   53   1HB   GLN   9          2HB       GLN   9   4.305   2.230   7.809
   54   2HB   GLN   9          3HB       GLN   9   4.519   1.043   6.555
   55   1HG   GLN   9          2HG       GLN   9   5.701   0.622   8.702
   56   2HG   GLN   9          3HG       GLN   9   6.765   0.576   7.275
   57   1HE2  GLN   9          2HE2      GLN   9   8.604   3.539   8.214
   58   2HE2  GLN   9          1HE2      GLN   9   8.220   2.413   6.914
   59    H    CYS  10           HN       CYS  10   4.839   2.790   3.614
   60    HA   CYS  10           HA       CYS  10   5.952   2.557   1.716
   61   1HB   CYS  10          2HB       CYS  10   7.638   4.043   3.043
   62   2HB   CYS  10          3HB       CYS  10   8.642   2.594   3.106
   63    H    VAL  11           HN       VAL  11   4.824   0.381   2.504
   64    HA   VAL  11           HA       VAL  11   6.664  -1.858   2.114
   65    HB   VAL  11           HB       VAL  11   4.780  -2.605   4.069
   66   1HG1  VAL  11          1HG1      VAL  11   7.806  -2.340   4.174
   67   2HG1  VAL  11          2HG1      VAL  11   6.804  -3.226   5.345
   68   3HG1  VAL  11          3HG1      VAL  11   6.872  -3.762   3.662
   69   1HG2  VAL  11          3HG2      VAL  11   4.775  -0.233   4.735
   70   2HG2  VAL  11          1HG2      VAL  11   5.498  -1.302   5.963
   71   3HG2  VAL  11          2HG2      VAL  11   6.563  -0.336   4.926
   72    H    GLU  12           HN       GLU  12   5.688  -2.859   0.310
   73    HA   GLU  12           HA       GLU  12   2.949  -2.576  -0.566
   74   1HB   GLU  12          2HB       GLU  12   5.073  -4.697  -1.093
   75   2HB   GLU  12          3HB       GLU  12   3.447  -4.777  -1.777
   76   1HG   GLU  12          2HG       GLU  12   3.730  -2.660  -2.944
   77   2HG   GLU  12          3HG       GLU  12   5.334  -2.446  -2.206
   78    H    SER  13           HN       SER  13   4.638  -4.981   1.300
   79    HA   SER  13           HA       SER  13   2.513  -6.708   1.641
   80   1HB   SER  13          2HB       SER  13   4.629  -6.288   3.785
   81   2HB   SER  13          3HB       SER  13   3.942  -7.821   3.220
   82    HG   SER  13           HG       SER  13   5.057  -7.271   1.144
   83    H    ALA  14           HN       ALA  14   3.135  -3.732   3.414
   84    HA   ALA  14           HA       ALA  14   1.319  -4.343   5.579
   85   1HB   ALA  14          3HB       ALA  14   2.945  -2.482   5.736
   86   2HB   ALA  14          1HB       ALA  14   2.039  -1.598   4.488
   87   3HB   ALA  14          2HB       ALA  14   1.280  -2.000   6.044
   88    H    CYS  15           HN       CYS  15   0.956  -2.664   2.329
   89    HA   CYS  15           HA       CYS  15  -1.873  -2.156   2.679
   90   1HB   CYS  15          2HB       CYS  15  -0.280  -2.888   0.128
   91   2HB   CYS  15          3HB       CYS  15  -1.850  -2.095   0.189
   92    H    GLU  16           HN       GLU  16  -0.027  -4.923   1.313
   93    HA   GLU  16           HA       GLU  16  -2.209  -6.347   0.285
   94   1HB   GLU  16          2HB       GLU  16   0.148  -6.904  -0.134
   95   2HB   GLU  16          3HB       GLU  16   0.344  -7.443   1.536
   96   1HG   GLU  16          2HG       GLU  16  -1.886  -8.747   0.028
   97   2HG   GLU  16          3HG       GLU  16  -0.261  -9.096  -0.550
   98    H    SER  17           HN       SER  17  -0.729  -6.613   3.528
   99    HA   SER  17           HA       SER  17  -2.636  -8.436   4.615
  100   1HB   SER  17          2HB       SER  17  -0.397  -8.008   5.549
  101   2HB   SER  17          3HB       SER  17  -0.840  -6.337   5.921
  102    HG   SER  17           HG       SER  17  -1.676  -8.735   7.140
  103    H    LEU  18           HN       LEU  18  -2.442  -4.905   4.577
  104    HA   LEU  18           HA       LEU  18  -4.405  -4.590   6.646
  105   1HB   LEU  18          2HB       LEU  18  -2.282  -3.375   6.487
  106   2HB   LEU  18          3HB       LEU  18  -2.827  -2.587   4.980
  107    HG   LEU  18           HG       LEU  18  -4.455  -1.398   6.025
  108   1HD1  LEU  18          1HD1      LEU  18  -3.756  -3.120   8.505
  109   2HD1  LEU  18          2HD1      LEU  18  -4.634  -1.609   8.718
  110   3HD1  LEU  18          3HD1      LEU  18  -5.366  -2.910   7.788
  111   1HD2  LEU  18          3HD2      LEU  18  -1.804  -1.385   7.470
  112   2HD2  LEU  18          1HD2      LEU  18  -2.473  -0.283   6.243
  113   3HD2  LEU  18          2HD2      LEU  18  -3.058  -0.212   7.905
  114    H    CYS  19           HN       CYS  19  -4.288  -3.777   3.174
  115    HA   CYS  19           HA       CYS  19  -7.015  -2.632   3.237
  116   1HB   CYS  19          2HB       CYS  19  -5.072  -3.170   0.962
  117   2HB   CYS  19          3HB       CYS  19  -6.612  -2.326   0.752
  118    H    THR  20           HN       THR  20  -8.579  -3.719   1.636
  119    HA   THR  20           HA       THR  20  -8.454  -6.651   1.934
  120    HB   THR  20           HB       THR  20 -10.413  -4.875   0.466
  121    HG1  THR  20          1HG       THR  20 -10.727  -4.729   2.574
  122   1HG2  THR  20          2HG2      THR  20 -10.266  -7.914   0.709
  123   2HG2  THR  20          3HG2      THR  20 -11.806  -7.048   0.499
  124   3HG2  THR  20          1HG2      THR  20 -10.569  -6.953  -0.743
  125    H    GLU  21           HN       GLU  21  -9.193  -5.339  -1.265
  126    HA   GLU  21           HA       GLU  21  -6.823  -5.769  -2.673
  127   1HB   GLU  21          2HB       GLU  21  -7.320  -8.238  -1.818
  128   2HB   GLU  21          3HB       GLU  21  -8.696  -8.181  -2.898
  129   1HG   GLU  21          2HG       GLU  21  -7.242  -7.909  -4.815
  130   2HG   GLU  21          3HG       GLU  21  -5.832  -7.597  -3.775
  131    H    GLY  22           HN       GLY  22  -7.377  -5.672  -5.022
  132   1HA   GLY  22          1HA       GLY  22  -8.767  -5.770  -6.858
  133   2HA   GLY  22          2HA       GLY  22 -10.149  -6.101  -5.804
  134    H    GLU  23           HN       GLU  23  -8.679  -3.483  -4.590
  135    HA   GLU  23           HA       GLU  23  -9.110  -1.251  -6.186
  136   1HB   GLU  23          2HB       GLU  23 -11.648  -1.844  -5.915
  137   2HB   GLU  23          3HB       GLU  23 -11.428  -1.517  -4.195
  138   1HG   GLU  23          2HG       GLU  23 -10.389   0.766  -5.051
  139   2HG   GLU  23          3HG       GLU  23 -11.178   0.343  -6.576
  140    H    ASP  24           HN       ASP  24  -9.963  -2.146  -2.794
  141    HA   ASP  24           HA       ASP  24  -9.024   0.084  -1.609
  142   1HB   ASP  24          2HB       ASP  24 -10.166  -2.063  -0.549
  143   2HB   ASP  24          3HB       ASP  24  -8.584  -2.759  -0.473
  144    NH1  ARG  25           NH2      ARG  25  -3.280  -8.419  -2.314
  145    NH2  ARG  25           NH1      ARG  25  -4.959  -8.953  -0.793
  146    H    ARG  25           HN       ARG  25  -7.033  -2.776  -2.207
  147    HA   ARG  25           HA       ARG  25  -4.679  -1.742  -1.008
  148   1HB   ARG  25          2HB       ARG  25  -5.071  -3.608  -3.405
  149   2HB   ARG  25          3HB       ARG  25  -3.461  -3.141  -2.829
  150   1HG   ARG  25          2HG       ARG  25  -3.909  -4.036  -0.610
  151   2HG   ARG  25          3HG       ARG  25  -5.558  -4.495  -1.113
  152   1HD   ARG  25          2HD       ARG  25  -4.272  -5.822  -3.011
  153   2HD   ARG  25          3HD       ARG  25  -2.853  -5.593  -1.957
  154    HE   ARG  25           HE       ARG  25  -5.096  -6.549  -0.442
  155   1HH1  ARG  25          2HH2      ARG  25  -2.699  -7.735  -2.797
  156   2HH1  ARG  25          1HH2      ARG  25  -3.170  -9.403  -2.555
  157   1HH2  ARG  25          2HH1      ARG  25  -5.688  -8.607  -0.179
  158   2HH2  ARG  25          1HH1      ARG  25  -4.852  -9.964  -0.897
  159    H    THR  26           HN       THR  26  -6.004  -1.312  -4.304
  160    HA   THR  26           HA       THR  26  -3.829  -0.390  -5.632
  161    HB   THR  26           HB       THR  26  -6.634   0.736  -6.023
  162    HG1  THR  26          1HG       THR  26  -6.930  -1.337  -5.940
  163   1HG2  THR  26          2HG2      THR  26  -4.773   1.732  -7.396
  164   2HG2  THR  26          3HG2      THR  26  -4.403   0.108  -8.021
  165   3HG2  THR  26          1HG2      THR  26  -5.982   0.865  -8.331
  166    H    GLY  27           HN       GLY  27  -5.967   1.872  -3.644
  167   1HA   GLY  27          1HA       GLY  27  -4.426   4.145  -4.362
  168   2HA   GLY  27          2HA       GLY  27  -5.327   3.934  -2.856
  169    H    CYS  28           HN       CYS  28  -4.053   1.938  -1.585
  170    HA   CYS  28           HA       CYS  28  -1.820   3.125  -0.315
  171   1HB   CYS  28          2HB       CYS  28  -3.429   1.514   0.589
  172   2HB   CYS  28          3HB       CYS  28  -2.784   0.218  -0.390
  173    OH   TYR  29           OH       TYR  29   1.170  -6.349  -3.764
  174    H    TYR  29           HN       TYR  29  -2.105   0.565  -2.687
  175    HA   TYR  29           HA       TYR  29   0.609  -0.304  -2.625
  176   1HB   TYR  29          2HB       TYR  29  -1.823  -1.269  -3.661
  177   2HB   TYR  29          3HB       TYR  29  -0.931  -0.867  -5.107
  178    HD1  TYR  29           HD2      TYR  29  -1.057  -2.857  -2.038
  179    HD2  TYR  29           HD1      TYR  29   1.018  -2.281  -5.771
  180    HE1  TYR  29           HE2      TYR  29  -0.074  -5.118  -1.835
  181    HE2  TYR  29           HE1      TYR  29   1.898  -4.583  -5.622
  182    HH   TYR  29           HH       TYR  29   1.707  -6.598  -4.536
  183    H    MET  30           HN       MET  30  -1.326   1.610  -5.001
  184    HA   MET  30           HA       MET  30   0.640   2.285  -6.845
  185   1HB   MET  30          2HB       MET  30  -1.831   3.764  -5.863
  186   2HB   MET  30          3HB       MET  30  -0.710   4.460  -7.020
  187   1HG   MET  30          2HG       MET  30  -0.896   2.434  -8.443
  188   2HG   MET  30          3HG       MET  30  -2.233   1.871  -7.455
  189   1HE   MET  30          2HE       MET  30  -2.968   1.833 -10.294
  190   2HE   MET  30          3HE       MET  30  -3.289   3.362 -11.152
  191   3HE   MET  30          1HE       MET  30  -1.624   2.915 -10.738
  192    OH   TYR  31           OH       TYR  31   4.830   9.074   0.358
  193    H    TYR  31           HN       TYR  31  -0.014   3.787  -3.639
  194    HA   TYR  31           HA       TYR  31   1.809   5.936  -3.989
  195   1HB   TYR  31          2HB       TYR  31   0.257   5.799  -2.055
  196   2HB   TYR  31          3HB       TYR  31   1.177   4.455  -1.409
  197    HD1  TYR  31           HD2      TYR  31   1.318   8.048  -2.322
  198    HD2  TYR  31           HD1      TYR  31   3.351   4.833  -0.290
  199    HE1  TYR  31           HE2      TYR  31   2.879   9.654  -1.323
  200    HE2  TYR  31           HE1      TYR  31   4.878   6.452   0.760
  201    HH   TYR  31           HH       TYR  31   5.732   8.913   0.035
  202    H    ILE  32           HN       ILE  32   2.444   2.849  -2.219
  203    HA   ILE  32           HA       ILE  32   5.221   3.221  -1.883
  204    HB   ILE  32           HB       ILE  32   3.489   0.753  -2.228
  205   1HG1  ILE  32          2HG1      ILE  32   4.889   1.474   0.309
  206   2HG1  ILE  32          3HG1      ILE  32   3.541   2.531  -0.133
  207   1HG2  ILE  32          2HG2      ILE  32   6.378   0.789  -1.267
  208   2HG2  ILE  32          3HG2      ILE  32   5.289  -0.563  -1.155
  209   3HG2  ILE  32          1HG2      ILE  32   5.792   0.010  -2.754
  210   1HD1  ILE  32          1HD1      ILE  32   3.297  -0.474  -0.175
  211   2HD1  ILE  32          2HD1      ILE  32   2.980   0.455   1.286
  212   3HD1  ILE  32          3HD1      ILE  32   2.041   0.769  -0.203
  213    OH   TYR  33           OH       TYR  33   2.100  -1.904 -11.306
  214    H    TYR  33           HN       TYR  33   3.409   1.743  -4.489
  215    HA   TYR  33           HA       TYR  33   5.480   0.748  -6.086
  216   1HB   TYR  33          2HB       TYR  33   3.110   0.130  -5.985
  217   2HB   TYR  33          3HB       TYR  33   2.711   1.703  -6.673
  218    HD1  TYR  33           HD2      TYR  33   3.948  -1.698  -7.194
  219    HD2  TYR  33           HD1      TYR  33   2.982   2.009  -9.171
  220    HE1  TYR  33           HE2      TYR  33   3.251  -2.959  -9.189
  221    HE2  TYR  33           HE1      TYR  33   2.343   0.740 -11.193
  222    HH   TYR  33           HH       TYR  33   1.837  -1.314 -12.030
  223    H    SER  34           HN       SER  34   4.265   4.007  -5.672
  224    HA   SER  34           HA       SER  34   5.858   5.076  -7.957
  225   1HB   SER  34          2HB       SER  34   3.687   6.314  -6.195
  226   2HB   SER  34          3HB       SER  34   4.526   7.099  -7.516
  227    HG   SER  34           HG       SER  34   2.823   4.818  -7.513
  228    H    ASN  35           HN       ASN  35   6.191   4.558  -4.641
  229    HA   ASN  35           HA       ASN  35   7.874   6.999  -4.312
  230   1HB   ASN  35          2HB       ASN  35   5.792   5.743  -2.453
  231   2HB   ASN  35          3HB       ASN  35   7.014   6.837  -1.878
  232   1HD2  ASN  35          2HD2      ASN  35   3.928   8.336  -4.235
  233   2HD2  ASN  35          1HD2      ASN  35   4.341   6.644  -4.201
  234    H    CYS  36           HN       CYS  36   7.890   3.614  -3.905
  235    HA   CYS  36           HA       CYS  36   9.948   3.779  -1.742
  236   1HB   CYS  36          2HB       CYS  36   7.434   2.678  -1.688
  237   2HB   CYS  36          3HB       CYS  36   8.414   1.317  -2.309
  238    HA   PRO  37           HA       PRO  37  12.326   1.151  -4.521
  239   1HB   PRO  37          2HB       PRO  37  13.546  -0.620  -2.672
  240   2HB   PRO  37          3HB       PRO  37  14.180   0.952  -3.210
  241   1HG   PRO  37          2HG       PRO  37  12.605   0.327  -0.719
  242   2HG   PRO  37          3HG       PRO  37  13.988   1.423  -0.905
  243   1HD   PRO  37          2HD       PRO  37  11.375   2.243  -0.781
  244   2HD   PRO  37          3HD       PRO  37  12.539   3.134  -1.783
  245    HA   PRO  38           HA       PRO  38  13.358  -0.899  -5.273
  246   1HB   PRO  38          2HB       PRO  38  12.881  -2.570  -7.356
  247   2HB   PRO  38          3HB       PRO  38  13.208  -3.166  -5.709
  248   1HG   PRO  38          2HG       PRO  38  10.497  -2.769  -7.020
  249   2HG   PRO  38          3HG       PRO  38  11.110  -4.231  -6.190
  250   1HD   PRO  38          2HD       PRO  38   9.557  -2.408  -4.897
  251   2HD   PRO  38          3HD       PRO  38  10.903  -3.224  -4.061
  252    OH   TYR  39           OH       TYR  39   6.379  -3.261  -6.657
  253    H    TYR  39           HN       TYR  39  10.299   0.389  -5.984
  254    HA   TYR  39           HA       TYR  39  10.591   0.913  -8.797
  255   1HB   TYR  39          2HB       TYR  39   8.778   2.375  -6.851
  256   2HB   TYR  39          3HB       TYR  39   8.587   2.165  -8.582
  257    HD1  TYR  39           HD1      TYR  39   7.829  -0.035  -9.499
  258    HD2  TYR  39           HD2      TYR  39   8.157   0.660  -5.256
  259    HE1  TYR  39           HE1      TYR  39   6.695  -2.192  -9.041
  260    HE2  TYR  39           HE2      TYR  39   7.072  -1.484  -4.806
  261    HH   TYR  39           HH       TYR  39   6.333  -3.449  -5.705
  262    H    VAL  40           HN       VAL  40  10.622   3.053  -5.941
  263    HA   VAL  40           HA       VAL  40  12.333   5.077  -7.280
  264    HB   VAL  40           HB       VAL  40  10.660   5.061  -4.811
  265   1HG1  VAL  40          1HG1      VAL  40  12.117   7.358  -6.117
  266   2HG1  VAL  40          2HG1      VAL  40  10.947   7.515  -4.782
  267   3HG1  VAL  40          3HG1      VAL  40  12.461   6.665  -4.507
  268   1HG2  VAL  40          2HG2      VAL  40  10.225   6.240  -7.587
  269   2HG2  VAL  40          3HG2      VAL  40   9.193   5.060  -6.750
  270   3HG2  VAL  40          1HG2      VAL  40   9.279   6.737  -6.182
   
  Start of MODEL           8
 Raw file had  270 H/Q atoms
  Start of MODEL    8
    1   1H    ASP   1          2HN       ASP   1  -7.655   4.329   4.117
    2   2H    ASP   1          3HN       ASP   1  -8.642   3.049   3.796
    3   3H    ASP   1          1HN       ASP   1  -9.281   4.532   4.134
    4    HA   ASP   1           HA       ASP   1  -9.042   4.336   6.362
    5   1HB   ASP   1          2HB       ASP   1 -10.349   2.403   5.354
    6   2HB   ASP   1          3HB       ASP   1  -8.935   1.486   5.848
    7    H    ALA   2           HN       ALA   2  -7.735   2.032   7.697
    8    HA   ALA   2           HA       ALA   2  -5.204   2.845   8.342
    9   1HB   ALA   2          3HB       ALA   2  -6.465   0.979   9.395
   10   2HB   ALA   2          1HB       ALA   2  -6.075  -0.043   7.994
   11   3HB   ALA   2          2HB       ALA   2  -4.777   0.593   9.032
   12    H    CYS   3           HN       CYS   3  -6.083   1.099   5.375
   13    HA   CYS   3           HA       CYS   3  -3.899   0.548   3.976
   14   1HB   CYS   3          2HB       CYS   3  -6.116   2.516   3.302
   15   2HB   CYS   3          3HB       CYS   3  -4.870   2.171   2.124
   16    H    GLU   4           HN       GLU   4  -4.703   4.061   4.581
   17    HA   GLU   4           HA       GLU   4  -2.373   4.921   3.194
   18   1HB   GLU   4          2HB       GLU   4  -2.641   7.099   4.260
   19   2HB   GLU   4          3HB       GLU   4  -4.119   6.472   3.513
   20   1HG   GLU   4          2HG       GLU   4  -5.096   7.079   5.442
   21   2HG   GLU   4          3HG       GLU   4  -4.458   5.558   6.046
   22    H    GLN   5           HN       GLN   5  -2.815   4.123   6.642
   23    HA   GLN   5           HA       GLN   5  -0.225   4.884   7.535
   24   1HB   GLN   5          2HB       GLN   5  -1.683   4.462   9.277
   25   2HB   GLN   5          3HB       GLN   5  -2.434   3.084   8.530
   26   1HG   GLN   5          2HG       GLN   5  -1.272   2.338  10.457
   27   2HG   GLN   5          3HG       GLN   5  -0.496   1.649   9.048
   28   1HE2  GLN   5          2HE2      GLN   5   1.446   4.652  11.185
   29   2HE2  GLN   5          1HE2      GLN   5  -0.314   4.534  11.199
   30    H    ALA   6           HN       ALA   6  -1.421   1.765   6.232
   31    HA   ALA   6           HA       ALA   6   1.020   0.314   6.396
   32   1HB   ALA   6          2HB       ALA   6  -1.417   0.211   4.615
   33   2HB   ALA   6          3HB       ALA   6   0.050  -0.487   3.958
   34   3HB   ALA   6          1HB       ALA   6  -0.601  -1.092   5.485
   35    H    ALA   7           HN       ALA   7  -0.242   2.369   3.798
   36    HA   ALA   7           HA       ALA   7   2.114   2.105   2.242
   37   1HB   ALA   7          1HB       ALA   7  -0.419   3.635   2.062
   38   2HB   ALA   7          2HB       ALA   7   0.974   4.248   1.127
   39   3HB   ALA   7          3HB       ALA   7   0.408   2.588   0.892
   40    H    ILE   8           HN       ILE   8   1.265   4.467   4.648
   41    HA   ILE   8           HA       ILE   8   3.245   6.400   4.044
   42    HB   ILE   8           HB       ILE   8   1.396   5.790   6.243
   43   1HG1  ILE   8          2HG1      ILE   8   1.620   8.296   6.574
   44   2HG1  ILE   8          3HG1      ILE   8   2.789   8.294   5.241
   45   1HG2  ILE   8          1HG2      ILE   8   4.077   6.844   7.119
   46   2HG2  ILE   8          2HG2      ILE   8   2.570   6.824   8.069
   47   3HG2  ILE   8          3HG2      ILE   8   3.318   5.298   7.598
   48   1HD1  ILE   8          3HD1      ILE   8   1.015   7.220   3.806
   49   2HD1  ILE   8          1HD1      ILE   8  -0.113   7.432   5.174
   50   3HD1  ILE   8          2HD1      ILE   8   0.615   8.851   4.384
   51    H    GLN   9           HN       GLN   9   3.383   3.312   5.883
   52    HA   GLN   9           HA       GLN   9   6.049   3.918   6.779
   53   1HB   GLN   9          2HB       GLN   9   4.338   2.241   7.832
   54   2HB   GLN   9          3HB       GLN   9   4.883   1.139   6.595
   55   1HG   GLN   9          2HG       GLN   9   7.314   1.748   7.422
   56   2HG   GLN   9          3HG       GLN   9   6.485   2.448   8.786
   57   1HE2  GLN   9          2HE2      GLN   9   7.538  -1.281   9.173
   58   2HE2  GLN   9          1HE2      GLN   9   8.277  -0.038   8.174
   59    H    CYS  10           HN       CYS  10   4.859   2.948   3.656
   60    HA   CYS  10           HA       CYS  10   5.972   2.760   1.728
   61   1HB   CYS  10          2HB       CYS  10   7.726   4.172   3.070
   62   2HB   CYS  10          3HB       CYS  10   8.705   2.716   3.053
   63    H    VAL  11           HN       VAL  11   4.825   0.589   2.939
   64    HA   VAL  11           HA       VAL  11   6.577  -1.628   2.144
   65    HB   VAL  11           HB       VAL  11   4.871  -2.587   4.088
   66   1HG1  VAL  11          3HG1      VAL  11   7.034  -3.546   3.428
   67   2HG1  VAL  11          1HG1      VAL  11   7.880  -2.150   4.131
   68   3HG1  VAL  11          2HG1      VAL  11   6.972  -3.265   5.178
   69   1HG2  VAL  11          1HG2      VAL  11   4.749  -0.337   4.987
   70   2HG2  VAL  11          2HG2      VAL  11   5.648  -1.435   6.078
   71   3HG2  VAL  11          3HG2      VAL  11   6.546  -0.269   5.070
   72    H    GLU  12           HN       GLU  12   5.502  -2.306   0.271
   73    HA   GLU  12           HA       GLU  12   2.702  -2.130  -0.255
   74   1HB   GLU  12          2HB       GLU  12   4.826  -4.064  -1.270
   75   2HB   GLU  12          3HB       GLU  12   3.130  -4.151  -1.757
   76   1HG   GLU  12          2HG       GLU  12   3.242  -1.799  -2.588
   77   2HG   GLU  12          3HG       GLU  12   4.989  -1.822  -2.276
   78    H    SER  13           HN       SER  13   4.633  -4.591   1.281
   79    HA   SER  13           HA       SER  13   2.596  -6.452   1.571
   80   1HB   SER  13          2HB       SER  13   4.823  -6.008   3.640
   81   2HB   SER  13          3HB       SER  13   4.108  -7.561   3.173
   82    HG   SER  13           HG       SER  13   5.274  -7.568   1.378
   83    H    ALA  14           HN       ALA  14   3.112  -3.575   3.456
   84    HA   ALA  14           HA       ALA  14   1.300  -4.326   5.582
   85   1HB   ALA  14          2HB       ALA  14   2.978  -2.474   5.773
   86   2HB   ALA  14          3HB       ALA  14   2.018  -1.530   4.616
   87   3HB   ALA  14          1HB       ALA  14   1.328  -2.024   6.186
   88    H    CYS  15           HN       CYS  15   0.943  -2.475   2.433
   89    HA   CYS  15           HA       CYS  15  -1.888  -2.061   2.705
   90   1HB   CYS  15          2HB       CYS  15  -0.218  -2.673   0.161
   91   2HB   CYS  15          3HB       CYS  15  -1.798  -1.926   0.211
   92    H    GLU  16           HN       GLU  16  -0.016  -4.782   1.276
   93    HA   GLU  16           HA       GLU  16  -2.121  -6.107   0.074
   94   1HB   GLU  16          2HB       GLU  16   0.429  -6.633   0.029
   95   2HB   GLU  16          3HB       GLU  16   0.115  -7.595   1.473
   96   1HG   GLU  16          2HG       GLU  16  -0.291  -9.269  -0.032
   97   2HG   GLU  16          3HG       GLU  16  -1.872  -8.534  -0.225
   98    H    SER  17           HN       SER  17  -1.098  -6.229   3.480
   99    HA   SER  17           HA       SER  17  -3.130  -8.245   4.186
  100   1HB   SER  17          2HB       SER  17  -2.116  -7.802   6.500
  101   2HB   SER  17          3HB       SER  17  -1.093  -8.571   5.282
  102    HG   SER  17           HG       SER  17  -0.022  -6.617   4.954
  103    H    LEU  18           HN       LEU  18  -2.466  -4.821   4.603
  104    HA   LEU  18           HA       LEU  18  -4.416  -4.435   6.641
  105   1HB   LEU  18          2HB       LEU  18  -2.208  -3.284   6.465
  106   2HB   LEU  18          3HB       LEU  18  -2.768  -2.419   5.031
  107    HG   LEU  18           HG       LEU  18  -4.226  -1.141   6.188
  108   1HD1  LEU  18          1HD1      LEU  18  -3.888  -3.171   8.500
  109   2HD1  LEU  18          2HD1      LEU  18  -4.647  -1.617   8.781
  110   3HD1  LEU  18          3HD1      LEU  18  -5.420  -2.740   7.698
  111   1HD2  LEU  18          2HD2      LEU  18  -1.712  -1.565   7.860
  112   2HD2  LEU  18          3HD2      LEU  18  -2.132  -0.246   6.739
  113   3HD2  LEU  18          1HD2      LEU  18  -2.881  -0.324   8.309
  114    H    CYS  19           HN       CYS  19  -4.271  -3.708   3.185
  115    HA   CYS  19           HA       CYS  19  -6.979  -2.464   3.199
  116   1HB   CYS  19          2HB       CYS  19  -5.048  -3.200   0.980
  117   2HB   CYS  19          3HB       CYS  19  -6.608  -2.390   0.700
  118    H    THR  20           HN       THR  20  -8.529  -3.620   1.689
  119    HA   THR  20           HA       THR  20  -8.416  -6.543   2.051
  120    HB   THR  20           HB       THR  20 -10.447  -4.820   0.561
  121    HG1  THR  20          1HG       THR  20 -10.390  -4.467   2.795
  122   1HG2  THR  20          3HG2      THR  20 -10.318  -7.768   1.353
  123   2HG2  THR  20          1HG2      THR  20 -11.793  -6.951   0.770
  124   3HG2  THR  20          2HG2      THR  20 -10.401  -7.143  -0.297
  125    H    GLU  21           HN       GLU  21  -9.295  -5.024  -1.065
  126    HA   GLU  21           HA       GLU  21  -7.011  -5.726  -2.592
  127   1HB   GLU  21          2HB       GLU  21  -7.751  -8.049  -1.762
  128   2HB   GLU  21          3HB       GLU  21  -9.299  -7.754  -2.550
  129   1HG   GLU  21          2HG       GLU  21  -8.399  -8.068  -4.668
  130   2HG   GLU  21          3HG       GLU  21  -6.818  -7.420  -4.206
  131    H    GLY  22           HN       GLY  22  -7.689  -5.671  -4.926
  132   1HA   GLY  22          1HA       GLY  22  -9.222  -5.788  -6.650
  133   2HA   GLY  22          2HA       GLY  22 -10.544  -5.441  -5.517
  134    H    GLU  23           HN       GLU  23  -8.592  -3.265  -4.599
  135    HA   GLU  23           HA       GLU  23  -8.313  -1.169  -6.315
  136   1HB   GLU  23          2HB       GLU  23 -10.898  -1.294  -6.581
  137   2HB   GLU  23          3HB       GLU  23 -10.994  -0.829  -4.881
  138   1HG   GLU  23          2HG       GLU  23 -11.287   1.100  -6.256
  139   2HG   GLU  23          3HG       GLU  23  -9.701   1.277  -5.506
  140    H    ASP  24           HN       ASP  24  -9.608  -2.113  -3.095
  141    HA   ASP  24           HA       ASP  24  -8.888   0.097  -1.649
  142   1HB   ASP  24          2HB       ASP  24 -10.085  -2.065  -0.790
  143   2HB   ASP  24          3HB       ASP  24  -8.530  -2.783  -0.630
  144    NH1  ARG  25           NH2      ARG  25  -3.673  -8.796  -2.180
  145    NH2  ARG  25           NH1      ARG  25  -5.451  -9.047  -0.720
  146    H    ARG  25           HN       ARG  25  -6.991  -2.827  -2.149
  147    HA   ARG  25           HA       ARG  25  -4.567  -1.990  -0.991
  148   1HB   ARG  25          2HB       ARG  25  -5.150  -3.815  -3.383
  149   2HB   ARG  25          3HB       ARG  25  -3.494  -3.449  -2.878
  150   1HG   ARG  25          2HG       ARG  25  -3.953  -4.279  -0.607
  151   2HG   ARG  25          3HG       ARG  25  -5.615  -4.664  -1.098
  152   1HD   ARG  25          2HD       ARG  25  -4.512  -6.134  -2.928
  153   2HD   ARG  25          3HD       ARG  25  -2.990  -5.895  -2.043
  154    HE   ARG  25           HE       ARG  25  -5.058  -6.653  -0.250
  155   1HH1  ARG  25          2HH2      ARG  25  -2.885  -8.236  -2.497
  156   2HH1  ARG  25          1HH2      ARG  25  -3.807  -9.717  -2.591
  157   1HH2  ARG  25          2HH1      ARG  25  -6.167  -8.635  -0.120
  158   2HH2  ARG  25          1HH1      ARG  25  -5.515 -10.032  -0.979
  159    H    THR  26           HN       THR  26  -5.577  -1.792  -4.483
  160    HA   THR  26           HA       THR  26  -3.431  -0.769  -5.516
  161    HB   THR  26           HB       THR  26  -6.154   0.274  -6.340
  162    HG1  THR  26          1HG       THR  26  -6.186  -1.968  -7.304
  163   1HG2  THR  26          2HG2      THR  26  -4.065   0.889  -7.597
  164   2HG2  THR  26          3HG2      THR  26  -3.743  -0.837  -7.858
  165   3HG2  THR  26          1HG2      THR  26  -5.185  -0.063  -8.560
  166    H    GLY  27           HN       GLY  27  -5.826   1.490  -3.947
  167   1HA   GLY  27          1HA       GLY  27  -4.352   3.866  -4.616
  168   2HA   GLY  27          2HA       GLY  27  -5.430   3.697  -3.225
  169    H    CYS  28           HN       CYS  28  -4.027   1.610  -1.909
  170    HA   CYS  28           HA       CYS  28  -1.965   3.076  -0.432
  171   1HB   CYS  28          2HB       CYS  28  -3.626   1.455   0.484
  172   2HB   CYS  28          3HB       CYS  28  -2.839   0.147  -0.360
  173    OH   TYR  29           OH       TYR  29   1.646  -6.330  -3.406
  174    H    TYR  29           HN       TYR  29  -2.080   0.301  -2.638
  175    HA   TYR  29           HA       TYR  29   0.615  -0.488  -2.441
  176   1HB   TYR  29          2HB       TYR  29  -1.775  -1.342  -3.762
  177   2HB   TYR  29          3HB       TYR  29  -0.665  -0.943  -5.067
  178    HD1  TYR  29           HD2      TYR  29  -1.187  -3.018  -2.058
  179    HD2  TYR  29           HD1      TYR  29   1.247  -2.377  -5.559
  180    HE1  TYR  29           HE2      TYR  29  -0.192  -5.261  -1.762
  181    HE2  TYR  29           HE1      TYR  29   2.194  -4.635  -5.295
  182    HH   TYR  29           HH       TYR  29   1.261  -6.918  -2.741
  183    H    MET  30           HN       MET  30  -1.139   1.403  -4.915
  184    HA   MET  30           HA       MET  30   0.945   2.264  -6.511
  185   1HB   MET  30          2HB       MET  30  -1.695   3.578  -5.965
  186   2HB   MET  30          3HB       MET  30  -0.476   4.188  -7.091
  187   1HG   MET  30          2HG       MET  30  -0.341   1.977  -8.217
  188   2HG   MET  30          3HG       MET  30  -1.682   1.404  -7.247
  189   1HE   MET  30          3HE       MET  30  -2.561   0.580  -9.555
  190   2HE   MET  30          1HE       MET  30  -2.915   1.638 -10.938
  191   3HE   MET  30          2HE       MET  30  -1.232   1.363 -10.429
  192    OH   TYR  31           OH       TYR  31   5.182   8.406   1.119
  193    H    TYR  31           HN       TYR  31   0.399   3.281  -3.192
  194    HA   TYR  31           HA       TYR  31   2.025   5.685  -3.496
  195   1HB   TYR  31          2HB       TYR  31   0.532   5.462  -1.570
  196   2HB   TYR  31          3HB       TYR  31   1.422   4.050  -1.018
  197    HD1  TYR  31           HD2      TYR  31   1.564   7.688  -1.534
  198    HD2  TYR  31           HD1      TYR  31   3.661   4.268   0.014
  199    HE1  TYR  31           HE2      TYR  31   3.291   9.170  -0.552
  200    HE2  TYR  31           HE1      TYR  31   5.302   5.756   1.104
  201    HH   TYR  31           HH       TYR  31   4.721   9.248   1.279
  202    H    ILE  32           HN       ILE  32   2.803   2.510  -1.940
  203    HA   ILE  32           HA       ILE  32   5.583   3.062  -1.824
  204    HB   ILE  32           HB       ILE  32   4.233   0.342  -2.136
  205   1HG1  ILE  32          2HG1      ILE  32   4.946   0.462   0.427
  206   2HG1  ILE  32          3HG1      ILE  32   4.651   2.191   0.209
  207   1HG2  ILE  32          2HG2      ILE  32   6.757   0.341  -2.470
  208   2HG2  ILE  32          3HG2      ILE  32   6.885   1.005  -0.817
  209   3HG2  ILE  32          1HG2      ILE  32   6.235  -0.589  -1.068
  210   1HD1  ILE  32          3HD1      ILE  32   2.607   0.140  -0.609
  211   2HD1  ILE  32          1HD1      ILE  32   2.858   0.541   1.093
  212   3HD1  ILE  32          2HD1      ILE  32   2.389   1.830  -0.053
  213    OH   TYR  33           OH       TYR  33   4.475  -0.802 -11.671
  214    H    TYR  33           HN       TYR  33   3.597   1.436  -4.186
  215    HA   TYR  33           HA       TYR  33   5.526   0.536  -5.975
  216   1HB   TYR  33          2HB       TYR  33   3.193  -0.205  -5.689
  217   2HB   TYR  33          3HB       TYR  33   2.692   1.366  -6.296
  218    HD1  TYR  33           HD2      TYR  33   5.012  -1.424  -7.240
  219    HD2  TYR  33           HD1      TYR  33   1.961   1.304  -8.593
  220    HE1  TYR  33           HE2      TYR  33   5.533  -1.999  -9.586
  221    HE2  TYR  33           HE1      TYR  33   2.389   0.619 -10.930
  222    HH   TYR  33           HH       TYR  33   5.440  -0.894 -11.651
  223    H    SER  34           HN       SER  34   4.269   3.808  -5.521
  224    HA   SER  34           HA       SER  34   5.732   4.698  -7.981
  225   1HB   SER  34          2HB       SER  34   3.573   6.124  -6.383
  226   2HB   SER  34          3HB       SER  34   4.393   6.643  -7.838
  227    HG   SER  34           HG       SER  34   2.510   4.581  -7.455
  228    H    ASN  35           HN       ASN  35   6.146   4.445  -4.732
  229    HA   ASN  35           HA       ASN  35   7.668   7.054  -4.490
  230   1HB   ASN  35          2HB       ASN  35   6.119   5.418  -2.449
  231   2HB   ASN  35          3HB       ASN  35   7.357   6.560  -1.997
  232   1HD2  ASN  35          2HD2      ASN  35   3.866   8.138  -3.523
  233   2HD2  ASN  35          1HD2      ASN  35   4.307   6.475  -3.939
  234    H    CYS  36           HN       CYS  36   7.774   3.644  -3.607
  235    HA   CYS  36           HA       CYS  36  10.281   3.959  -2.139
  236   1HB   CYS  36          2HB       CYS  36   7.827   2.799  -1.591
  237   2HB   CYS  36          3HB       CYS  36   8.779   1.409  -2.128
  238    HA   PRO  37           HA       PRO  37  12.469   1.348  -5.122
  239   1HB   PRO  37          2HB       PRO  37  14.167  -0.077  -3.527
  240   2HB   PRO  37          3HB       PRO  37  14.405   1.640  -3.948
  241   1HG   PRO  37          2HG       PRO  37  13.093   0.527  -1.446
  242   2HG   PRO  37          3HG       PRO  37  14.375   1.763  -1.538
  243   1HD   PRO  37          2HD       PRO  37  11.837   2.520  -1.280
  244   2HD   PRO  37          3HD       PRO  37  12.865   3.375  -2.456
  245    HA   PRO  38           HA       PRO  38  13.430  -0.400  -6.240
  246   1HB   PRO  38          2HB       PRO  38  12.794  -2.185  -8.130
  247   2HB   PRO  38          3HB       PRO  38  13.541  -2.732  -6.602
  248   1HG   PRO  38          2HG       PRO  38  10.581  -2.689  -7.303
  249   2HG   PRO  38          3HG       PRO  38  11.500  -4.073  -6.679
  250   1HD   PRO  38          2HD       PRO  38  10.084  -2.430  -5.037
  251   2HD   PRO  38          3HD       PRO  38  11.623  -3.142  -4.508
  252    OH   TYR  39           OH       TYR  39   7.301  -4.248  -4.208
  253    H    TYR  39           HN       TYR  39   9.987  -0.188  -6.114
  254    HA   TYR  39           HA       TYR  39   9.386   0.057  -8.836
  255   1HB   TYR  39          2HB       TYR  39   7.654   1.269  -6.713
  256   2HB   TYR  39          3HB       TYR  39   7.221   0.396  -8.188
  257    HD1  TYR  39           HD1      TYR  39   7.889  -2.181  -8.221
  258    HD2  TYR  39           HD2      TYR  39   7.742   0.227  -4.649
  259    HE1  TYR  39           HE1      TYR  39   7.665  -4.230  -6.834
  260    HE2  TYR  39           HE2      TYR  39   7.356  -1.807  -3.294
  261    HH   TYR  39           HH       TYR  39   6.360  -4.362  -3.994
  262    H    VAL  40           HN       VAL  40   9.089   2.643  -6.403
  263    HA   VAL  40           HA       VAL  40   9.400   4.851  -6.400
  264    HB   VAL  40           HB       VAL  40  11.546   4.212  -8.365
  265   1HG1  VAL  40          3HG1      VAL  40  11.083   6.633  -6.631
  266   2HG1  VAL  40          1HG1      VAL  40  12.659   6.270  -7.366
  267   3HG1  VAL  40          2HG1      VAL  40  11.263   6.612  -8.393
  268   1HG2  VAL  40          1HG2      VAL  40  11.600   4.349  -5.341
  269   2HG2  VAL  40          2HG2      VAL  40  11.771   2.904  -6.372
  270   3HG2  VAL  40          3HG2      VAL  40  13.018   4.140  -6.397
   
  Start of MODEL           9
 Raw file had  270 H/Q atoms
  Start of MODEL    9
    1   1H    ASP   1          1HN       ASP   1  -6.905   5.245   5.204
    2   2H    ASP   1          2HN       ASP   1  -8.062   6.230   5.805
    3   3H    ASP   1          3HN       ASP   1  -6.519   6.351   6.393
    4    HA   ASP   1           HA       ASP   1  -7.842   5.090   7.962
    5   1HB   ASP   1          2HB       ASP   1  -8.981   3.048   7.278
    6   2HB   ASP   1          3HB       ASP   1  -9.454   4.272   6.106
    7    H    ALA   2           HN       ALA   2  -7.321   2.272   7.964
    8    HA   ALA   2           HA       ALA   2  -4.598   2.105   8.659
    9   1HB   ALA   2          1HB       ALA   2  -6.644   0.590   9.290
   10   2HB   ALA   2          2HB       ALA   2  -6.201  -0.306   7.819
   11   3HB   ALA   2          3HB       ALA   2  -5.019  -0.088   9.132
   12    H    CYS   3           HN       CYS   3  -6.377   1.081   5.705
   13    HA   CYS   3           HA       CYS   3  -4.327  -0.205   4.278
   14   1HB   CYS   3          2HB       CYS   3  -6.668  -0.159   3.597
   15   2HB   CYS   3          3HB       CYS   3  -6.628   1.568   3.333
   16    H    GLU   4           HN       GLU   4  -5.375   3.168   3.951
   17    HA   GLU   4           HA       GLU   4  -3.028   4.050   2.594
   18   1HB   GLU   4          2HB       GLU   4  -5.238   5.370   4.005
   19   2HB   GLU   4          3HB       GLU   4  -3.731   6.278   4.104
   20   1HG   GLU   4          2HG       GLU   4  -5.116   6.888   2.103
   21   2HG   GLU   4          3HG       GLU   4  -3.477   6.364   1.743
   22    H    GLN   5           HN       GLN   5  -3.460   3.879   6.183
   23    HA   GLN   5           HA       GLN   5  -0.975   4.990   6.832
   24   1HB   GLN   5          2HB       GLN   5  -2.529   2.891   8.305
   25   2HB   GLN   5          3HB       GLN   5  -0.967   3.496   8.851
   26   1HG   GLN   5          2HG       GLN   5  -1.827   5.838   8.729
   27   2HG   GLN   5          3HG       GLN   5  -3.450   5.206   8.458
   28   1HE2  GLN   5          2HE2      GLN   5  -3.199   3.461  11.831
   29   2HE2  GLN   5          1HE2      GLN   5  -3.335   2.923  10.174
   30    H    ALA   6           HN       ALA   6  -1.697   1.653   5.793
   31    HA   ALA   6           HA       ALA   6   0.836   0.463   6.225
   32   1HB   ALA   6          2HB       ALA   6  -1.562  -0.134   4.635
   33   2HB   ALA   6          3HB       ALA   6  -0.100  -0.481   3.710
   34   3HB   ALA   6          1HB       ALA   6  -0.380  -1.226   5.286
   35    H    ALA   7           HN       ALA   7  -0.408   2.311   3.441
   36    HA   ALA   7           HA       ALA   7   2.086   2.200   2.018
   37   1HB   ALA   7          2HB       ALA   7  -0.556   3.538   1.611
   38   2HB   ALA   7          3HB       ALA   7   0.868   4.049   0.655
   39   3HB   ALA   7          1HB       ALA   7   0.351   2.372   0.627
   40    H    ILE   8           HN       ILE   8   0.714   4.528   4.205
   41    HA   ILE   8           HA       ILE   8   2.510   6.623   3.864
   42    HB   ILE   8           HB       ILE   8   0.695   5.670   5.892
   43   1HG1  ILE   8          2HG1      ILE   8   0.516   8.120   6.443
   44   2HG1  ILE   8          3HG1      ILE   8   1.745   8.401   5.203
   45   1HG2  ILE   8          1HG2      ILE   8   3.133   6.968   7.064
   46   2HG2  ILE   8          2HG2      ILE   8   1.572   6.693   7.878
   47   3HG2  ILE   8          3HG2      ILE   8   2.538   5.308   7.382
   48   1HD1  ILE   8          3HD1      ILE   8   0.208   7.211   3.561
   49   2HD1  ILE   8          1HD1      ILE   8  -0.967   7.017   4.881
   50   3HD1  ILE   8          2HD1      ILE   8  -0.559   8.638   4.296
   51    H    GLN   9           HN       GLN   9   2.962   3.504   5.535
   52    HA   GLN   9           HA       GLN   9   5.580   4.244   6.499
   53   1HB   GLN   9          2HB       GLN   9   3.942   2.659   7.633
   54   2HB   GLN   9          3HB       GLN   9   4.348   1.477   6.431
   55   1HG   GLN   9          2HG       GLN   9   5.544   1.262   8.619
   56   2HG   GLN   9          3HG       GLN   9   6.626   1.347   7.232
   57   1HE2  GLN   9          2HE2      GLN   9   8.442   3.910   8.913
   58   2HE2  GLN   9          1HE2      GLN   9   8.486   2.477   7.883
   59    H    CYS  10           HN       CYS  10   4.592   3.270   3.378
   60    HA   CYS  10           HA       CYS  10   5.813   2.846   1.539
   61   1HB   CYS  10          2HB       CYS  10   7.348   4.516   2.747
   62   2HB   CYS  10          3HB       CYS  10   8.400   3.146   3.093
   63    H    VAL  11           HN       VAL  11   4.727   0.631   2.647
   64    HA   VAL  11           HA       VAL  11   6.732  -1.453   2.240
   65    HB   VAL  11           HB       VAL  11   4.999  -2.358   4.213
   66   1HG1  VAL  11          2HG1      VAL  11   7.328  -3.119   3.723
   67   2HG1  VAL  11          3HG1      VAL  11   7.948  -1.592   4.364
   68   3HG1  VAL  11          1HG1      VAL  11   7.097  -2.733   5.437
   69   1HG2  VAL  11          1HG2      VAL  11   4.650  -0.027   4.825
   70   2HG2  VAL  11          2HG2      VAL  11   5.526  -0.952   6.080
   71   3HG2  VAL  11          3HG2      VAL  11   6.428   0.157   5.024
   72    H    GLU  12           HN       GLU  12   5.831  -2.553   0.440
   73    HA   GLU  12           HA       GLU  12   3.069  -2.520  -0.342
   74   1HB   GLU  12          2HB       GLU  12   5.432  -4.269  -0.950
   75   2HB   GLU  12          3HB       GLU  12   3.808  -4.841  -1.347
   76   1HG   GLU  12          2HG       GLU  12   3.428  -2.765  -2.726
   77   2HG   GLU  12          3HG       GLU  12   5.155  -2.396  -2.550
   78    H    SER  13           HN       SER  13   4.914  -4.781   1.564
   79    HA   SER  13           HA       SER  13   2.664  -6.538   1.829
   80   1HB   SER  13          2HB       SER  13   4.967  -7.376   2.112
   81   2HB   SER  13          3HB       SER  13   5.131  -6.446   3.612
   82    HG   SER  13           HG       SER  13   3.354  -8.583   3.029
   83    H    ALA  14           HN       ALA  14   3.251  -3.540   3.391
   84    HA   ALA  14           HA       ALA  14   1.613  -4.160   5.714
   85   1HB   ALA  14          2HB       ALA  14   3.155  -2.198   5.636
   86   2HB   ALA  14          3HB       ALA  14   2.060  -1.435   4.461
   87   3HB   ALA  14          1HB       ALA  14   1.506  -1.837   6.104
   88    H    CYS  15           HN       CYS  15   0.991  -2.536   2.452
   89    HA   CYS  15           HA       CYS  15  -1.806  -2.412   2.742
   90   1HB   CYS  15          2HB       CYS  15  -0.273  -3.227   0.158
   91   2HB   CYS  15          3HB       CYS  15  -1.820  -2.409   0.253
   92    H    GLU  16           HN       GLU  16   0.231  -5.036   1.371
   93    HA   GLU  16           HA       GLU  16  -1.826  -6.760   0.518
   94   1HB   GLU  16          2HB       GLU  16   0.902  -6.755   0.473
   95   2HB   GLU  16          3HB       GLU  16   0.691  -7.877   1.824
   96   1HG   GLU  16          2HG       GLU  16  -0.415  -8.190  -1.005
   97   2HG   GLU  16          3HG       GLU  16   1.117  -8.821  -0.472
   98    H    SER  17           HN       SER  17  -0.492  -6.212   3.773
   99    HA   SER  17           HA       SER  17  -2.277  -8.275   4.914
  100   1HB   SER  17          2HB       SER  17   0.306  -8.130   5.306
  101   2HB   SER  17          3HB       SER  17  -0.103  -6.793   6.393
  102    HG   SER  17           HG       SER  17  -0.066  -8.796   7.496
  103    H    LEU  18           HN       LEU  18  -3.123  -5.389   3.983
  104    HA   LEU  18           HA       LEU  18  -4.400  -4.678   6.523
  105   1HB   LEU  18          2HB       LEU  18  -2.070  -3.711   6.578
  106   2HB   LEU  18          3HB       LEU  18  -2.487  -2.731   5.148
  107    HG   LEU  18           HG       LEU  18  -4.026  -1.482   6.302
  108   1HD1  LEU  18          2HD1      LEU  18  -3.719  -3.636   8.488
  109   2HD1  LEU  18          3HD1      LEU  18  -4.376  -2.072   8.915
  110   3HD1  LEU  18          1HD1      LEU  18  -5.234  -3.064   7.751
  111   1HD2  LEU  18          2HD2      LEU  18  -1.590  -1.981   8.073
  112   2HD2  LEU  18          3HD2      LEU  18  -1.804  -0.722   6.851
  113   3HD2  LEU  18          1HD2      LEU  18  -2.711  -0.636   8.346
  114    H    CYS  19           HN       CYS  19  -3.989  -3.805   3.114
  115    HA   CYS  19           HA       CYS  19  -6.705  -2.637   3.051
  116   1HB   CYS  19          2HB       CYS  19  -4.847  -3.352   0.749
  117   2HB   CYS  19          3HB       CYS  19  -6.309  -2.387   0.555
  118    H    THR  20           HN       THR  20  -8.230  -3.874   1.623
  119    HA   THR  20           HA       THR  20  -7.825  -6.838   1.933
  120    HB   THR  20           HB       THR  20 -10.367  -5.328   1.201
  121    HG1  THR  20          1HG       THR  20  -9.782  -4.812   3.272
  122   1HG2  THR  20          3HG2      THR  20  -9.690  -8.206   2.033
  123   2HG2  THR  20          1HG2      THR  20 -11.336  -7.558   1.875
  124   3HG2  THR  20          2HG2      THR  20 -10.296  -7.706   0.448
  125    H    GLU  21           HN       GLU  21  -9.867  -5.838  -0.723
  126    HA   GLU  21           HA       GLU  21  -7.925  -4.956  -2.561
  127   1HB   GLU  21          2HB       GLU  21  -8.497  -6.855  -4.084
  128   2HB   GLU  21          3HB       GLU  21  -7.431  -7.259  -2.703
  129   1HG   GLU  21          2HG       GLU  21  -9.245  -8.391  -1.557
  130   2HG   GLU  21          3HG       GLU  21 -10.420  -7.862  -2.780
  131    H    GLY  22           HN       GLY  22  -9.108  -4.485  -4.571
  132   1HA   GLY  22          1HA       GLY  22 -11.253  -4.096  -5.720
  133   2HA   GLY  22          2HA       GLY  22 -12.054  -3.962  -4.145
  134    H    GLU  23           HN       GLU  23  -9.197  -2.740  -5.763
  135    HA   GLU  23           HA       GLU  23  -8.144  -0.902  -6.022
  136   1HB   GLU  23          2HB       GLU  23  -9.053   1.225  -6.255
  137   2HB   GLU  23          3HB       GLU  23 -10.060   0.072  -7.119
  138   1HG   GLU  23          2HG       GLU  23 -10.870   0.855  -4.310
  139   2HG   GLU  23          3HG       GLU  23 -10.967   2.089  -5.558
  140    H    ASP  24           HN       ASP  24  -9.571  -1.453  -2.991
  141    HA   ASP  24           HA       ASP  24  -8.476   0.442  -1.316
  142   1HB   ASP  24          2HB       ASP  24  -9.821  -1.756  -0.754
  143   2HB   ASP  24          3HB       ASP  24  -8.336  -2.594  -0.784
  144    NH1  ARG  25           NH2      ARG  25  -2.683  -8.474  -1.872
  145    NH2  ARG  25           NH1      ARG  25  -3.877  -8.779   0.053
  146    H    ARG  25           HN       ARG  25  -7.018  -2.650  -2.280
  147    HA   ARG  25           HA       ARG  25  -4.462  -2.150  -1.383
  148   1HB   ARG  25          2HB       ARG  25  -5.373  -3.776  -3.835
  149   2HB   ARG  25          3HB       ARG  25  -3.657  -3.605  -3.413
  150   1HG   ARG  25          2HG       ARG  25  -4.246  -4.360  -1.074
  151   2HG   ARG  25          3HG       ARG  25  -5.845  -4.761  -1.721
  152   1HD   ARG  25          2HD       ARG  25  -4.744  -6.392  -3.259
  153   2HD   ARG  25          3HD       ARG  25  -3.148  -5.892  -2.643
  154    HE   ARG  25           HE       ARG  25  -5.032  -6.722  -0.569
  155   1HH1  ARG  25          2HH2      ARG  25  -2.521  -8.058  -2.789
  156   2HH1  ARG  25          1HH2      ARG  25  -2.123  -9.271  -1.581
  157   1HH2  ARG  25          2HH1      ARG  25  -4.768  -8.727   0.544
  158   2HH2  ARG  25          1HH1      ARG  25  -3.168  -9.435   0.367
  159    H    THR  26           HN       THR  26  -5.794  -1.504  -4.710
  160    HA   THR  26           HA       THR  26  -3.557  -0.600  -5.953
  161    HB   THR  26           HB       THR  26  -6.365   0.517  -6.252
  162    HG1  THR  26          1HG       THR  26  -5.302  -1.861  -6.757
  163   1HG2  THR  26          2HG2      THR  26  -3.944   0.866  -8.043
  164   2HG2  THR  26          3HG2      THR  26  -5.626   1.068  -8.590
  165   3HG2  THR  26          1HG2      THR  26  -4.970   2.108  -7.325
  166    H    GLY  27           HN       GLY  27  -5.697   1.644  -4.017
  167   1HA   GLY  27          1HA       GLY  27  -4.105   3.940  -4.579
  168   2HA   GLY  27          2HA       GLY  27  -5.144   3.712  -3.158
  169    H    CYS  28           HN       CYS  28  -3.815   1.477  -2.060
  170    HA   CYS  28           HA       CYS  28  -1.760   2.798  -0.533
  171   1HB   CYS  28          2HB       CYS  28  -3.357   1.177   0.250
  172   2HB   CYS  28          3HB       CYS  28  -2.625  -0.115  -0.682
  173    OH   TYR  29           OH       TYR  29   0.795  -6.702  -4.349
  174    H    TYR  29           HN       TYR  29  -1.809   0.199  -2.931
  175    HA   TYR  29           HA       TYR  29   0.923  -0.527  -2.823
  176   1HB   TYR  29          2HB       TYR  29  -1.438  -1.441  -4.145
  177   2HB   TYR  29          3HB       TYR  29  -0.392  -0.879  -5.442
  178    HD1  TYR  29           HD2      TYR  29   0.135  -2.751  -2.229
  179    HD2  TYR  29           HD1      TYR  29   0.538  -2.742  -6.520
  180    HE1  TYR  29           HE2      TYR  29   0.604  -5.178  -2.188
  181    HE2  TYR  29           HE1      TYR  29   0.960  -5.167  -6.473
  182    HH   TYR  29           HH       TYR  29   1.243  -7.068  -3.574
  183    H    MET  30           HN       MET  30  -0.957   1.407  -5.234
  184    HA   MET  30           HA       MET  30   1.047   2.230  -6.914
  185   1HB   MET  30          2HB       MET  30  -1.474   3.595  -6.034
  186   2HB   MET  30          3HB       MET  30  -0.424   4.248  -7.295
  187   1HG   MET  30          2HG       MET  30  -1.666   1.471  -7.364
  188   2HG   MET  30          3HG       MET  30  -2.282   2.887  -8.199
  189   1HE   MET  30          2HE       MET  30  -0.787   4.098 -10.229
  190   2HE   MET  30          3HE       MET  30   0.691   4.106  -9.225
  191   3HE   MET  30          1HE       MET  30   0.721   3.376 -10.832
  192    OH   TYR  31           OH       TYR  31   4.022   9.339   0.917
  193    H    TYR  31           HN       TYR  31   0.252   3.692  -3.715
  194    HA   TYR  31           HA       TYR  31   1.998   5.928  -4.073
  195   1HB   TYR  31          2HB       TYR  31   0.284   5.812  -2.322
  196   2HB   TYR  31          3HB       TYR  31   1.151   4.509  -1.525
  197    HD1  TYR  31           HD2      TYR  31   1.361   8.093  -2.540
  198    HD2  TYR  31           HD1      TYR  31   3.024   5.003  -0.047
  199    HE1  TYR  31           HE2      TYR  31   2.505   9.808  -1.183
  200    HE2  TYR  31           HE1      TYR  31   4.195   6.711   1.300
  201    HH   TYR  31           HH       TYR  31   4.337   8.979   1.760
  202    H    ILE  32           HN       ILE  32   2.596   2.944  -2.167
  203    HA   ILE  32           HA       ILE  32   5.376   3.256  -1.712
  204    HB   ILE  32           HB       ILE  32   3.587   0.839  -2.177
  205   1HG1  ILE  32          2HG1      ILE  32   4.869   1.424   0.416
  206   2HG1  ILE  32          3HG1      ILE  32   3.598   2.572  -0.038
  207   1HG2  ILE  32          2HG2      ILE  32   5.899   0.069  -2.640
  208   2HG2  ILE  32          3HG2      ILE  32   6.431   0.752  -1.086
  209   3HG2  ILE  32          1HG2      ILE  32   5.287  -0.580  -1.121
  210   1HD1  ILE  32          3HD1      ILE  32   3.191  -0.409  -0.208
  211   2HD1  ILE  32          1HD1      ILE  32   2.966   0.451   1.318
  212   3HD1  ILE  32          2HD1      ILE  32   1.992   0.891  -0.115
  213    OH   TYR  33           OH       TYR  33   5.431  -0.414 -11.505
  214    H    TYR  33           HN       TYR  33   3.651   1.745  -4.316
  215    HA   TYR  33           HA       TYR  33   5.716   0.641  -5.831
  216   1HB   TYR  33          2HB       TYR  33   3.350   0.027  -5.822
  217   2HB   TYR  33          3HB       TYR  33   2.953   1.632  -6.452
  218    HD1  TYR  33           HD2      TYR  33   4.738  -1.537  -7.229
  219    HD2  TYR  33           HD1      TYR  33   2.891   2.055  -8.762
  220    HE1  TYR  33           HE2      TYR  33   5.519  -2.093  -9.503
  221    HE2  TYR  33           HE1      TYR  33   3.663   1.481 -11.028
  222    HH   TYR  33           HH       TYR  33   5.529   0.457 -11.922
  223    H    SER  34           HN       SER  34   4.527   4.003  -5.690
  224    HA   SER  34           HA       SER  34   6.493   4.683  -7.868
  225   1HB   SER  34          2HB       SER  34   3.768   5.224  -7.715
  226   2HB   SER  34          3HB       SER  34   4.521   6.744  -7.231
  227    HG   SER  34           HG       SER  34   5.804   6.578  -9.171
  228    H    ASN  35           HN       ASN  35   6.483   4.519  -4.620
  229    HA   ASN  35           HA       ASN  35   8.258   6.940  -4.472
  230   1HB   ASN  35          2HB       ASN  35   6.102   5.970  -2.552
  231   2HB   ASN  35          3HB       ASN  35   7.372   7.083  -2.124
  232   1HD2  ASN  35          2HD2      ASN  35   4.218   8.454  -4.349
  233   2HD2  ASN  35          1HD2      ASN  35   4.356   6.781  -3.813
  234    H    CYS  36           HN       CYS  36   8.058   3.597  -3.845
  235    HA   CYS  36           HA       CYS  36  10.216   3.679  -1.810
  236   1HB   CYS  36          2HB       CYS  36   7.668   2.471  -1.680
  237   2HB   CYS  36          3HB       CYS  36   8.759   1.144  -2.073
  238    HA   PRO  37           HA       PRO  37  12.388   1.310  -4.985
  239   1HB   PRO  37          2HB       PRO  37  14.284   0.007  -3.449
  240   2HB   PRO  37          3HB       PRO  37  14.376   1.716  -3.928
  241   1HG   PRO  37          2HG       PRO  37  13.411   0.577  -1.298
  242   2HG   PRO  37          3HG       PRO  37  14.503   1.970  -1.555
  243   1HD   PRO  37          2HD       PRO  37  11.822   2.219  -1.055
  244   2HD   PRO  37          3HD       PRO  37  12.704   3.394  -2.075
  245    HA   PRO  38           HA       PRO  38  13.448  -0.470  -5.885
  246   1HB   PRO  38          2HB       PRO  38  13.466  -2.775  -7.226
  247   2HB   PRO  38          3HB       PRO  38  14.036  -2.703  -5.542
  248   1HG   PRO  38          2HG       PRO  38  11.279  -3.576  -6.474
  249   2HG   PRO  38          3HG       PRO  38  12.401  -4.453  -5.393
  250   1HD   PRO  38          2HD       PRO  38  10.395  -2.794  -4.460
  251   2HD   PRO  38          3HD       PRO  38  11.919  -3.076  -3.594
  252    OH   TYR  39           OH       TYR  39   7.808  -4.855  -4.626
  253    H    TYR  39           HN       TYR  39  10.567   0.497  -5.904
  254    HA   TYR  39           HA       TYR  39   9.704  -0.213  -8.670
  255   1HB   TYR  39          2HB       TYR  39   8.086   0.989  -6.432
  256   2HB   TYR  39          3HB       TYR  39   7.526   0.249  -7.947
  257    HD1  TYR  39           HD1      TYR  39   8.619  -2.280  -8.255
  258    HD2  TYR  39           HD2      TYR  39   7.633  -0.314  -4.539
  259    HE1  TYR  39           HE1      TYR  39   8.528  -4.470  -7.109
  260    HE2  TYR  39           HE2      TYR  39   7.386  -2.522  -3.447
  261    HH   TYR  39           HH       TYR  39   7.018  -4.863  -4.067
  262    H    VAL  40           HN       VAL  40   9.892   2.532  -6.376
  263    HA   VAL  40           HA       VAL  40   9.243   4.599  -8.053
  264    HB   VAL  40           HB       VAL  40   9.477   4.621  -5.666
  265   1HG1  VAL  40          2HG1      VAL  40  11.805   3.445  -5.623
  266   2HG1  VAL  40          3HG1      VAL  40  12.461   5.061  -5.863
  267   3HG1  VAL  40          1HG1      VAL  40  11.488   4.722  -4.435
  268   1HG2  VAL  40          1HG2      VAL  40   9.361   6.734  -6.878
  269   2HG2  VAL  40          2HG2      VAL  40  10.379   6.910  -5.428
  270   3HG2  VAL  40          3HG2      VAL  40  11.113   6.774  -7.029
   
  Start of MODEL          10
 Raw file had  270 H/Q atoms
  Start of MODEL   10
    1   1H    ASP   1          1HN       ASP   1  -9.391   3.651   9.303
    2   2H    ASP   1          2HN       ASP   1  -8.847   4.760  10.373
    3   3H    ASP   1          3HN       ASP   1  -9.552   5.270   8.958
    4    HA   ASP   1           HA       ASP   1  -7.889   4.453   7.622
    5   1HB   ASP   1          2HB       ASP   1  -5.880   5.609   8.256
    6   2HB   ASP   1          3HB       ASP   1  -7.300   6.603   8.425
    7    H    ALA   2           HN       ALA   2  -6.053   3.435   7.287
    8    HA   ALA   2           HA       ALA   2  -4.543   1.665   8.945
    9   1HB   ALA   2          2HB       ALA   2  -7.143   0.605   7.789
   10   2HB   ALA   2          3HB       ALA   2  -5.729  -0.430   7.813
   11   3HB   ALA   2          1HB       ALA   2  -6.359   0.212   9.340
   12    H    CYS   3           HN       CYS   3  -6.332   1.339   5.880
   13    HA   CYS   3           HA       CYS   3  -4.415   0.033   4.419
   14   1HB   CYS   3          2HB       CYS   3  -6.768   0.371   3.805
   15   2HB   CYS   3          3HB       CYS   3  -6.454   2.076   3.493
   16    H    GLU   4           HN       GLU   4  -5.082   3.531   3.979
   17    HA   GLU   4           HA       GLU   4  -2.638   3.901   2.559
   18   1HB   GLU   4          2HB       GLU   4  -4.649   5.400   2.547
   19   2HB   GLU   4          3HB       GLU   4  -4.043   6.138   4.047
   20   1HG   GLU   4          2HG       GLU   4  -2.123   7.021   2.945
   21   2HG   GLU   4          3HG       GLU   4  -2.281   5.912   1.583
   22    H    GLN   5           HN       GLN   5  -3.250   4.041   6.059
   23    HA   GLN   5           HA       GLN   5  -0.701   5.071   6.821
   24   1HB   GLN   5          2HB       GLN   5  -2.684   3.306   8.279
   25   2HB   GLN   5          3HB       GLN   5  -1.110   3.692   8.962
   26   1HG   GLN   5          2HG       GLN   5  -3.120   5.788   8.046
   27   2HG   GLN   5          3HG       GLN   5  -2.936   5.200   9.704
   28   1HE2  GLN   5          2HE2      GLN   5   0.212   6.803  10.319
   29   2HE2  GLN   5          1HE2      GLN   5  -0.830   5.469  10.787
   30    H    ALA   6           HN       ALA   6  -1.628   1.908   5.596
   31    HA   ALA   6           HA       ALA   6   0.762   0.494   6.232
   32   1HB   ALA   6          1HB       ALA   6  -1.516  -0.243   5.038
   33   2HB   ALA   6          2HB       ALA   6  -0.598   0.141   3.578
   34   3HB   ALA   6          3HB       ALA   6   0.010  -1.041   4.709
   35    H    ALA   7           HN       ALA   7  -0.154   2.477   3.381
   36    HA   ALA   7           HA       ALA   7   2.435   2.167   2.154
   37   1HB   ALA   7          3HB       ALA   7   0.005   3.858   1.491
   38   2HB   ALA   7          1HB       ALA   7   1.491   3.823   0.505
   39   3HB   ALA   7          2HB       ALA   7   0.570   2.352   0.740
   40    H    ILE   8           HN       ILE   8   1.050   4.672   4.108
   41    HA   ILE   8           HA       ILE   8   3.099   6.589   3.986
   42    HB   ILE   8           HB       ILE   8   0.976   5.772   5.776
   43   1HG1  ILE   8          2HG1      ILE   8   1.079   8.262   6.420
   44   2HG1  ILE   8          3HG1      ILE   8   2.356   8.402   5.193
   45   1HG2  ILE   8          3HG2      ILE   8   3.414   6.641   7.287
   46   2HG2  ILE   8          1HG2      ILE   8   1.745   6.638   7.904
   47   3HG2  ILE   8          2HG2      ILE   8   2.492   5.120   7.404
   48   1HD1  ILE   8          2HD1      ILE   8   0.777   7.440   3.515
   49   2HD1  ILE   8          3HD1      ILE   8  -0.467   7.333   4.786
   50   3HD1  ILE   8          1HD1      ILE   8   0.141   8.921   4.272
   51    H    GLN   9           HN       GLN   9   3.152   3.357   5.449
   52    HA   GLN   9           HA       GLN   9   5.716   3.869   6.754
   53   1HB   GLN   9          2HB       GLN   9   3.893   2.513   7.758
   54   2HB   GLN   9          3HB       GLN   9   4.162   1.288   6.557
   55   1HG   GLN   9          2HG       GLN   9   5.189   0.794   8.718
   56   2HG   GLN   9          3HG       GLN   9   6.374   0.838   7.410
   57   1HE2  GLN   9          2HE2      GLN   9   8.232   3.616   8.660
   58   2HE2  GLN   9          1HE2      GLN   9   7.723   2.813   7.194
   59    H    CYS  10           HN       CYS  10   4.831   3.037   3.567
   60    HA   CYS  10           HA       CYS  10   6.053   2.460   1.764
   61   1HB   CYS  10          2HB       CYS  10   7.639   4.092   3.098
   62   2HB   CYS  10          3HB       CYS  10   8.640   2.668   3.314
   63    H    VAL  11           HN       VAL  11   4.901   0.351   2.958
   64    HA   VAL  11           HA       VAL  11   6.876  -1.845   2.757
   65    HB   VAL  11           HB       VAL  11   4.799  -2.657   4.465
   66   1HG1  VAL  11          2HG1      VAL  11   7.769  -2.314   4.929
   67   2HG1  VAL  11          3HG1      VAL  11   6.643  -3.162   6.008
   68   3HG1  VAL  11          1HG1      VAL  11   6.906  -3.766   4.368
   69   1HG2  VAL  11          3HG2      VAL  11   4.548  -0.317   5.093
   70   2HG2  VAL  11          1HG2      VAL  11   5.248  -1.276   6.426
   71   3HG2  VAL  11          2HG2      VAL  11   6.309  -0.241   5.440
   72    H    GLU  12           HN       GLU  12   6.220  -2.766   0.862
   73    HA   GLU  12           HA       GLU  12   3.705  -2.477  -0.421
   74   1HB   GLU  12          2HB       GLU  12   6.107  -3.525  -1.153
   75   2HB   GLU  12          3HB       GLU  12   5.198  -5.014  -0.832
   76   1HG   GLU  12          2HG       GLU  12   3.442  -4.072  -2.438
   77   2HG   GLU  12          3HG       GLU  12   4.634  -2.850  -2.906
   78    H    SER  13           HN       SER  13   4.991  -4.982   1.621
   79    HA   SER  13           HA       SER  13   2.664  -6.611   1.622
   80   1HB   SER  13          2HB       SER  13   4.725  -6.482   3.894
   81   2HB   SER  13          3HB       SER  13   3.773  -7.890   3.397
   82    HG   SER  13           HG       SER  13   4.948  -7.997   1.500
   83    H    ALA  14           HN       ALA  14   3.279  -3.682   3.365
   84    HA   ALA  14           HA       ALA  14   1.503  -4.333   5.525
   85   1HB   ALA  14          1HB       ALA  14   3.075  -2.521   5.863
   86   2HB   ALA  14          2HB       ALA  14   2.309  -1.563   4.559
   87   3HB   ALA  14          3HB       ALA  14   1.434  -1.955   6.046
   88    H    CYS  15           HN       CYS  15   1.111  -2.565   2.319
   89    HA   CYS  15           HA       CYS  15  -1.761  -2.097   2.699
   90   1HB   CYS  15          2HB       CYS  15  -0.040  -2.609   0.156
   91   2HB   CYS  15          3HB       CYS  15  -1.698  -2.046   0.160
   92    H    GLU  16           HN       GLU  16   0.234  -4.693   1.117
   93    HA   GLU  16           HA       GLU  16  -1.847  -6.130   0.041
   94   1HB   GLU  16          2HB       GLU  16   0.683  -6.668  -0.102
   95   2HB   GLU  16          3HB       GLU  16   0.461  -7.567   1.411
   96   1HG   GLU  16          2HG       GLU  16  -1.459  -8.795   0.220
   97   2HG   GLU  16          3HG       GLU  16  -0.874  -8.043  -1.280
   98    H    SER  17           HN       SER  17  -0.566  -6.409   3.367
   99    HA   SER  17           HA       SER  17  -2.518  -8.338   4.274
  100   1HB   SER  17          2HB       SER  17  -0.775  -6.434   5.876
  101   2HB   SER  17          3HB       SER  17  -1.540  -7.925   6.440
  102    HG   SER  17           HG       SER  17   0.664  -7.546   4.734
  103    H    LEU  18           HN       LEU  18  -2.305  -4.822   4.433
  104    HA   LEU  18           HA       LEU  18  -4.264  -4.694   6.570
  105   1HB   LEU  18          2HB       LEU  18  -2.119  -3.573   6.558
  106   2HB   LEU  18          3HB       LEU  18  -2.585  -2.586   5.146
  107    HG   LEU  18           HG       LEU  18  -3.937  -1.281   6.315
  108   1HD1  LEU  18          2HD1      LEU  18  -3.835  -3.452   8.530
  109   2HD1  LEU  18          3HD1      LEU  18  -4.475  -1.854   8.885
  110   3HD1  LEU  18          1HD1      LEU  18  -5.294  -2.873   7.698
  111   1HD2  LEU  18          2HD2      LEU  18  -1.445  -1.096   6.993
  112   2HD2  LEU  18          3HD2      LEU  18  -2.570  -0.407   8.172
  113   3HD2  LEU  18          1HD2      LEU  18  -1.852  -1.993   8.456
  114    H    CYS  19           HN       CYS  19  -4.075  -3.694   3.161
  115    HA   CYS  19           HA       CYS  19  -6.852  -2.628   3.222
  116   1HB   CYS  19          2HB       CYS  19  -4.953  -3.101   0.933
  117   2HB   CYS  19          3HB       CYS  19  -6.483  -2.176   0.784
  118    H    THR  20           HN       THR  20  -8.400  -3.869   1.855
  119    HA   THR  20           HA       THR  20  -7.923  -6.790   1.979
  120    HB   THR  20           HB       THR  20 -10.244  -5.084   1.172
  121    HG1  THR  20          1HG       THR  20  -9.928  -5.777   3.305
  122   1HG2  THR  20          2HG2      THR  20  -9.693  -7.873   0.262
  123   2HG2  THR  20          3HG2      THR  20 -11.362  -7.425   0.720
  124   3HG2  THR  20          1HG2      THR  20 -10.541  -6.578  -0.587
  125    H    GLU  21           HN       GLU  21  -9.071  -5.047  -0.890
  126    HA   GLU  21           HA       GLU  21  -7.026  -5.186  -2.728
  127   1HB   GLU  21          2HB       GLU  21  -6.699  -7.564  -2.375
  128   2HB   GLU  21          3HB       GLU  21  -8.437  -7.851  -2.356
  129   1HG   GLU  21          2HG       GLU  21  -7.358  -8.744  -4.315
  130   2HG   GLU  21          3HG       GLU  21  -8.537  -7.536  -4.767
  131    H    GLY  22           HN       GLY  22  -8.005  -5.113  -4.858
  132   1HA   GLY  22          1HA       GLY  22  -9.640  -4.473  -6.378
  133   2HA   GLY  22          2HA       GLY  22 -10.878  -5.036  -5.226
  134    H    GLU  23           HN       GLU  23  -8.324  -2.616  -5.366
  135    HA   GLU  23           HA       GLU  23  -8.557  -0.435  -5.961
  136   1HB   GLU  23          2HB       GLU  23 -11.023  -0.794  -6.360
  137   2HB   GLU  23          3HB       GLU  23 -11.295  -0.221  -4.705
  138   1HG   GLU  23          2HG       GLU  23  -9.646   1.416  -6.667
  139   2HG   GLU  23          3HG       GLU  23 -11.411   1.399  -6.795
  140    H    ASP  24           HN       ASP  24  -9.729  -1.558  -2.842
  141    HA   ASP  24           HA       ASP  24  -8.808   0.521  -1.151
  142   1HB   ASP  24          2HB       ASP  24 -10.043  -1.711  -0.466
  143   2HB   ASP  24          3HB       ASP  24  -8.544  -2.525  -0.547
  144    NH1  ARG  25           NH2      ARG  25  -3.299  -8.282  -2.589
  145    NH2  ARG  25           NH1      ARG  25  -4.131  -8.969  -0.529
  146    H    ARG  25           HN       ARG  25  -7.193  -2.515  -2.005
  147    HA   ARG  25           HA       ARG  25  -4.636  -1.751  -1.109
  148   1HB   ARG  25          2HB       ARG  25  -5.499  -3.642  -3.323
  149   2HB   ARG  25          3HB       ARG  25  -3.798  -3.243  -3.051
  150   1HG   ARG  25          2HG       ARG  25  -3.972  -4.026  -0.730
  151   2HG   ARG  25          3HG       ARG  25  -5.663  -4.512  -1.047
  152   1HD   ARG  25          2HD       ARG  25  -4.723  -5.913  -2.967
  153   2HD   ARG  25          3HD       ARG  25  -3.088  -5.484  -2.388
  154    HE   ARG  25           HE       ARG  25  -4.726  -6.554  -0.288
  155   1HH1  ARG  25          2HH2      ARG  25  -3.137  -7.528  -3.257
  156   2HH1  ARG  25          1HH2      ARG  25  -3.084  -9.232  -2.881
  157   1HH2  ARG  25          2HH1      ARG  25  -4.629  -8.744   0.335
  158   2HH2  ARG  25          1HH1      ARG  25  -3.734  -9.901  -0.662
  159    H    THR  26           HN       THR  26  -5.976  -1.589  -4.525
  160    HA   THR  26           HA       THR  26  -3.891  -0.533  -5.776
  161    HB   THR  26           HB       THR  26  -6.663   0.639  -6.175
  162    HG1  THR  26          1HG       THR  26  -6.261  -1.766  -6.371
  163   1HG2  THR  26          3HG2      THR  26  -4.170   0.530  -7.902
  164   2HG2  THR  26          1HG2      THR  26  -5.768   0.899  -8.552
  165   3HG2  THR  26          2HG2      THR  26  -5.040   1.985  -7.368
  166    H    GLY  27           HN       GLY  27  -6.100   1.779  -3.934
  167   1HA   GLY  27          1HA       GLY  27  -4.502   4.007  -4.813
  168   2HA   GLY  27          2HA       GLY  27  -5.607   3.994  -3.420
  169    H    CYS  28           HN       CYS  28  -4.129   1.796  -2.118
  170    HA   CYS  28           HA       CYS  28  -2.083   3.280  -0.636
  171   1HB   CYS  28          2HB       CYS  28  -3.695   1.724   0.310
  172   2HB   CYS  28          3HB       CYS  28  -3.028   0.365  -0.575
  173    OH   TYR  29           OH       TYR  29   1.969  -5.996  -3.605
  174    H    TYR  29           HN       TYR  29  -2.305   0.607  -2.883
  175    HA   TYR  29           HA       TYR  29   0.353  -0.355  -2.594
  176   1HB   TYR  29          2HB       TYR  29  -1.996  -1.377  -3.591
  177   2HB   TYR  29          3HB       TYR  29  -1.182  -0.986  -5.098
  178    HD1  TYR  29           HD1      TYR  29   1.405  -1.751  -5.098
  179    HD2  TYR  29           HD2      TYR  29  -1.620  -3.434  -2.537
  180    HE1  TYR  29           HE1      TYR  29   2.684  -3.823  -4.942
  181    HE2  TYR  29           HE2      TYR  29  -0.352  -5.561  -2.434
  182    HH   TYR  29           HH       TYR  29   2.883  -5.841  -3.898
  183    H    MET  30           HN       MET  30  -1.353   1.492  -5.108
  184    HA   MET  30           HA       MET  30   0.632   1.938  -7.003
  185   1HB   MET  30          2HB       MET  30  -1.719   3.601  -6.028
  186   2HB   MET  30          3HB       MET  30  -0.723   4.105  -7.397
  187   1HG   MET  30          2HG       MET  30  -2.055   1.381  -7.229
  188   2HG   MET  30          3HG       MET  30  -2.785   2.787  -8.011
  189   1HE   MET  30          2HE       MET  30  -3.200   0.998  -9.944
  190   2HE   MET  30          3HE       MET  30  -1.898   0.196 -10.846
  191   3HE   MET  30          1HE       MET  30  -2.215  -0.261  -9.160
  192    OH   TYR  31           OH       TYR  31   4.837   8.774   0.293
  193    H    TYR  31           HN       TYR  31  -0.035   3.848  -4.027
  194    HA   TYR  31           HA       TYR  31   1.987   5.735  -4.339
  195   1HB   TYR  31          2HB       TYR  31   0.307   5.792  -2.554
  196   2HB   TYR  31          3HB       TYR  31   1.053   4.423  -1.755
  197    HD1  TYR  31           HD1      TYR  31   3.297   4.631  -0.640
  198    HD2  TYR  31           HD2      TYR  31   1.246   8.005  -2.381
  199    HE1  TYR  31           HE1      TYR  31   4.808   6.161   0.559
  200    HE2  TYR  31           HE2      TYR  31   2.729   9.533  -1.151
  201    HH   TYR  31           HH       TYR  31   4.736   9.670  -0.054
  202    H    ILE  32           HN       ILE  32   2.306   2.701  -2.428
  203    HA   ILE  32           HA       ILE  32   5.082   2.982  -1.886
  204    HB   ILE  32           HB       ILE  32   3.501   0.401  -2.279
  205   1HG1  ILE  32          2HG1      ILE  32   3.828   2.182   0.174
  206   2HG1  ILE  32          3HG1      ILE  32   2.325   1.799  -0.692
  207   1HG2  ILE  32          3HG2      ILE  32   6.063   0.195  -2.150
  208   2HG2  ILE  32          1HG2      ILE  32   5.922   0.813  -0.488
  209   3HG2  ILE  32          2HG2      ILE  32   5.157  -0.709  -0.971
  210   1HD1  ILE  32          3HD1      ILE  32   2.699  -0.616  -0.186
  211   2HD1  ILE  32          1HD1      ILE  32   4.050  -0.077   0.861
  212   3HD1  ILE  32          2HD1      ILE  32   2.395   0.335   1.257
  213    OH   TYR  33           OH       TYR  33   3.203  -1.955 -11.687
  214    H    TYR  33           HN       TYR  33   3.349   1.401  -4.457
  215    HA   TYR  33           HA       TYR  33   5.419   0.141  -5.876
  216   1HB   TYR  33          2HB       TYR  33   3.012  -0.310  -5.924
  217   2HB   TYR  33          3HB       TYR  33   2.723   1.267  -6.656
  218    HD1  TYR  33           HD1      TYR  33   3.496   1.676  -9.018
  219    HD2  TYR  33           HD2      TYR  33   3.572  -2.226  -7.168
  220    HE1  TYR  33           HE1      TYR  33   3.452   0.615 -11.243
  221    HE2  TYR  33           HE2      TYR  33   3.368  -3.283  -9.379
  222    HH   TYR  33           HH       TYR  33   3.160  -2.917 -11.621
  223    H    SER  34           HN       SER  34   4.272   3.538  -5.937
  224    HA   SER  34           HA       SER  34   6.297   4.123  -8.058
  225   1HB   SER  34          2HB       SER  34   3.799   5.545  -7.182
  226   2HB   SER  34          3HB       SER  34   4.998   6.212  -8.291
  227    HG   SER  34           HG       SER  34   4.650   4.368  -9.659
  228    H    ASN  35           HN       ASN  35   6.005   4.336  -4.699
  229    HA   ASN  35           HA       ASN  35   7.878   6.694  -4.567
  230   1HB   ASN  35          2HB       ASN  35   5.677   5.757  -2.646
  231   2HB   ASN  35          3HB       ASN  35   6.881   6.953  -2.277
  232   1HD2  ASN  35          2HD2      ASN  35   3.930   7.961  -5.015
  233   2HD2  ASN  35          1HD2      ASN  35   4.378   6.286  -4.737
  234    H    CYS  36           HN       CYS  36   7.638   3.358  -3.775
  235    HA   CYS  36           HA       CYS  36   9.744   3.650  -1.693
  236   1HB   CYS  36          2HB       CYS  36   7.389   2.214  -1.489
  237   2HB   CYS  36          3HB       CYS  36   8.554   1.003  -2.049
  238    HA   PRO  37           HA       PRO  37  12.289   1.723  -4.812
  239   1HB   PRO  37          2HB       PRO  37  14.542   1.146  -3.345
  240   2HB   PRO  37          3HB       PRO  37  14.099   2.776  -3.928
  241   1HG   PRO  37          2HG       PRO  37  13.747   1.617  -1.188
  242   2HG   PRO  37          3HG       PRO  37  14.177   3.296  -1.644
  243   1HD   PRO  37          2HD       PRO  37  11.614   2.409  -0.921
  244   2HD   PRO  37          3HD       PRO  37  11.950   3.896  -1.864
  245    HA   PRO  38           HA       PRO  38  14.074  -0.022  -5.529
  246   1HB   PRO  38          2HB       PRO  38  13.725  -2.032  -7.315
  247   2HB   PRO  38          3HB       PRO  38  14.519  -2.313  -5.743
  248   1HG   PRO  38          2HG       PRO  38  11.586  -2.771  -6.405
  249   2HG   PRO  38          3HG       PRO  38  12.728  -3.944  -5.696
  250   1HD   PRO  38          2HD       PRO  38  11.112  -2.483  -4.103
  251   2HD   PRO  38          3HD       PRO  38  12.817  -2.754  -3.630
  252    OH   TYR  39           OH       TYR  39   8.355  -4.873  -4.830
  253    H    TYR  39           HN       TYR  39  10.611  -0.158  -5.674
  254    HA   TYR  39           HA       TYR  39  10.290   0.024  -8.463
  255   1HB   TYR  39          2HB       TYR  39   8.281   1.047  -6.446
  256   2HB   TYR  39          3HB       TYR  39   8.039   0.332  -8.052
  257    HD1  TYR  39           HD1      TYR  39   8.959  -2.116  -8.356
  258    HD2  TYR  39           HD2      TYR  39   7.912  -0.340  -4.565
  259    HE1  TYR  39           HE1      TYR  39   8.851  -4.361  -7.322
  260    HE2  TYR  39           HE2      TYR  39   7.800  -2.597  -3.543
  261    HH   TYR  39           HH       TYR  39   7.820  -4.898  -4.019
  262    H    VAL  40           HN       VAL  40   9.699   2.595  -6.049
  263    HA   VAL  40           HA       VAL  40   9.197   4.788  -6.453
  264    HB   VAL  40           HB       VAL  40  11.425   6.058  -7.008
  265   1HG1  VAL  40          2HG1      VAL  40  10.996   4.452  -4.503
  266   2HG1  VAL  40          3HG1      VAL  40  12.147   5.784  -4.685
  267   3HG1  VAL  40          1HG1      VAL  40  10.415   6.094  -4.865
  268   1HG2  VAL  40          1HG2      VAL  40  12.615   4.072  -7.889
  269   2HG2  VAL  40          2HG2      VAL  40  13.413   4.858  -6.502
  270   3HG2  VAL  40          3HG2      VAL  40  12.528   3.342  -6.266
   
  Start of MODEL          11
 Raw file had  270 H/Q atoms
  Start of MODEL   11
    1   1H    ASP   1          2HN       ASP   1  -7.695   5.887   9.984
    2   2H    ASP   1          3HN       ASP   1  -6.236   6.475   9.486
    3   3H    ASP   1          1HN       ASP   1  -7.632   7.169   8.920
    4    HA   ASP   1           HA       ASP   1  -8.081   5.118   7.712
    5   1HB   ASP   1          2HB       ASP   1  -6.148   5.155   6.136
    6   2HB   ASP   1          3HB       ASP   1  -6.671   6.777   6.533
    7    H    ALA   2           HN       ALA   2  -6.739   3.213   6.792
    8    HA   ALA   2           HA       ALA   2  -4.873   1.961   8.773
    9   1HB   ALA   2          1HB       ALA   2  -7.195   0.590   7.324
   10   2HB   ALA   2          2HB       ALA   2  -5.838  -0.256   8.048
   11   3HB   ALA   2          3HB       ALA   2  -6.920   0.689   9.078
   12    H    CYS   3           HN       CYS   3  -6.342   1.492   5.607
   13    HA   CYS   3           HA       CYS   3  -4.299   0.148   4.324
   14   1HB   CYS   3          2HB       CYS   3  -6.624   0.341   3.613
   15   2HB   CYS   3          3HB       CYS   3  -6.413   2.046   3.228
   16    H    GLU   4           HN       GLU   4  -5.107   3.579   3.726
   17    HA   GLU   4           HA       GLU   4  -2.754   4.327   2.381
   18   1HB   GLU   4          2HB       GLU   4  -4.659   5.804   4.230
   19   2HB   GLU   4          3HB       GLU   4  -3.285   6.624   3.519
   20   1HG   GLU   4          2HG       GLU   4  -5.318   5.089   1.842
   21   2HG   GLU   4          3HG       GLU   4  -5.475   6.800   2.262
   22    H    GLN   5           HN       GLN   5  -3.285   4.621   5.915
   23    HA   GLN   5           HA       GLN   5  -0.789   5.177   6.783
   24   1HB   GLN   5          2HB       GLN   5  -2.048   5.111   8.584
   25   2HB   GLN   5          3HB       GLN   5  -3.164   3.920   7.931
   26   1HG   GLN   5          2HG       GLN   5  -1.664   2.089   8.604
   27   2HG   GLN   5          3HG       GLN   5  -0.496   3.276   9.223
   28   1HE2  GLN   5          2HE2      GLN   5  -2.282   3.934  12.217
   29   2HE2  GLN   5          1HE2      GLN   5  -1.149   4.621  11.049
   30    H    ALA   6           HN       ALA   6  -1.756   1.911   5.655
   31    HA   ALA   6           HA       ALA   6   0.682   0.566   6.353
   32   1HB   ALA   6          2HB       ALA   6  -1.602  -0.037   4.589
   33   2HB   ALA   6          3HB       ALA   6  -0.080  -0.422   3.815
   34   3HB   ALA   6          1HB       ALA   6  -0.503  -1.110   5.389
   35    H    ALA   7           HN       ALA   7  -0.285   2.366   3.425
   36    HA   ALA   7           HA       ALA   7   2.221   1.951   2.118
   37   1HB   ALA   7          2HB       ALA   7  -0.210   3.620   1.572
   38   2HB   ALA   7          3HB       ALA   7   1.301   3.938   0.680
   39   3HB   ALA   7          1HB       ALA   7   0.578   2.343   0.615
   40    H    ILE   8           HN       ILE   8   1.124   4.474   4.240
   41    HA   ILE   8           HA       ILE   8   3.266   6.273   4.030
   42    HB   ILE   8           HB       ILE   8   1.237   5.561   5.973
   43   1HG1  ILE   8          2HG1      ILE   8   1.559   7.935   6.680
   44   2HG1  ILE   8          3HG1      ILE   8   2.903   8.056   5.529
   45   1HG2  ILE   8          2HG2      ILE   8   2.967   4.748   7.466
   46   2HG2  ILE   8          3HG2      ILE   8   3.847   6.299   7.290
   47   3HG2  ILE   8          1HG2      ILE   8   2.240   6.238   8.043
   48   1HD1  ILE   8          3HD1      ILE   8   0.025   7.280   4.901
   49   2HD1  ILE   8          1HD1      ILE   8   0.752   8.880   4.606
   50   3HD1  ILE   8          2HD1      ILE   8   1.321   7.459   3.695
   51    H    GLN   9           HN       GLN   9   3.241   3.021   5.546
   52    HA   GLN   9           HA       GLN   9   5.824   3.529   6.706
   53   1HB   GLN   9          2HB       GLN   9   4.081   1.946   7.632
   54   2HB   GLN   9          3HB       GLN   9   4.437   0.826   6.385
   55   1HG   GLN   9          2HG       GLN   9   5.587   0.351   8.545
   56   2HG   GLN   9          3HG       GLN   9   6.797   0.661   7.304
   57   1HE2  GLN   9          2HE2      GLN   9   8.168   3.426   9.025
   58   2HE2  GLN   9          1HE2      GLN   9   8.412   2.065   7.925
   59    H    CYS  10           HN       CYS  10   4.919   2.772   3.494
   60    HA   CYS  10           HA       CYS  10   6.132   2.371   1.632
   61   1HB   CYS  10          2HB       CYS  10   7.748   3.938   3.002
   62   2HB   CYS  10          3HB       CYS  10   8.747   2.492   3.134
   63    H    VAL  11           HN       VAL  11   5.027   0.223   2.892
   64    HA   VAL  11           HA       VAL  11   6.941  -2.013   2.432
   65    HB   VAL  11           HB       VAL  11   4.953  -2.364   4.584
   66   1HG1  VAL  11          1HG1      VAL  11   6.520  -4.131   3.887
   67   2HG1  VAL  11          2HG1      VAL  11   7.875  -3.105   4.426
   68   3HG1  VAL  11          3HG1      VAL  11   6.708  -3.712   5.602
   69   1HG2  VAL  11          1HG2      VAL  11   5.832  -0.176   5.262
   70   2HG2  VAL  11          2HG2      VAL  11   6.361  -1.439   6.380
   71   3HG2  VAL  11          3HG2      VAL  11   7.493  -0.778   5.173
   72    H    GLU  12           HN       GLU  12   6.026  -3.246   0.953
   73    HA   GLU  12           HA       GLU  12   3.404  -2.618  -0.087
   74   1HB   GLU  12          2HB       GLU  12   5.580  -3.693  -1.242
   75   2HB   GLU  12          3HB       GLU  12   4.751  -5.196  -0.817
   76   1HG   GLU  12          2HG       GLU  12   2.704  -4.156  -2.025
   77   2HG   GLU  12          3HG       GLU  12   3.797  -2.869  -2.554
   78    H    SER  13           HN       SER  13   4.784  -5.166   1.836
   79    HA   SER  13           HA       SER  13   2.459  -6.670   2.149
   80   1HB   SER  13          2HB       SER  13   4.550  -6.500   4.354
   81   2HB   SER  13          3HB       SER  13   3.702  -7.932   3.744
   82    HG   SER  13           HG       SER  13   4.893  -7.618   1.757
   83    H    ALA  14           HN       ALA  14   3.071  -3.604   3.538
   84    HA   ALA  14           HA       ALA  14   1.355  -3.978   5.860
   85   1HB   ALA  14          3HB       ALA  14   3.008  -2.090   5.602
   86   2HB   ALA  14          1HB       ALA  14   1.892  -1.366   4.441
   87   3HB   ALA  14          2HB       ALA  14   1.400  -1.676   6.134
   88    H    CYS  15           HN       CYS  15   0.926  -2.574   2.509
   89    HA   CYS  15           HA       CYS  15  -1.910  -2.183   2.766
   90   1HB   CYS  15          2HB       CYS  15  -0.260  -2.992   0.243
   91   2HB   CYS  15          3HB       CYS  15  -1.823  -2.194   0.257
   92    H    GLU  16           HN       GLU  16   0.068  -4.842   1.382
   93    HA   GLU  16           HA       GLU  16  -1.806  -6.511   0.346
   94   1HB   GLU  16          2HB       GLU  16   0.712  -6.878   0.551
   95   2HB   GLU  16          3HB       GLU  16   0.417  -7.449   2.203
   96   1HG   GLU  16          2HG       GLU  16  -1.200  -9.160   1.141
   97   2HG   GLU  16          3HG       GLU  16  -0.420  -8.723  -0.392
   98    H    SER  17           HN       SER  17  -0.842  -6.293   3.758
   99    HA   SER  17           HA       SER  17  -2.870  -8.287   4.549
  100   1HB   SER  17          2HB       SER  17  -0.747  -7.112   6.305
  101   2HB   SER  17          3HB       SER  17  -1.507  -8.709   6.390
  102    HG   SER  17           HG       SER  17   0.374  -7.746   4.470
  103    H    LEU  18           HN       LEU  18  -3.262  -5.153   4.056
  104    HA   LEU  18           HA       LEU  18  -4.529  -4.586   6.701
  105   1HB   LEU  18          2HB       LEU  18  -2.283  -3.539   6.538
  106   2HB   LEU  18          3HB       LEU  18  -2.815  -2.645   5.090
  107    HG   LEU  18           HG       LEU  18  -4.282  -1.356   6.253
  108   1HD1  LEU  18          3HD1      LEU  18  -3.816  -3.327   8.595
  109   2HD1  LEU  18          1HD1      LEU  18  -4.532  -1.750   8.896
  110   3HD1  LEU  18          2HD1      LEU  18  -5.381  -2.892   7.865
  111   1HD2  LEU  18          2HD2      LEU  18  -1.680  -1.683   7.804
  112   2HD2  LEU  18          3HD2      LEU  18  -2.172  -0.442   6.646
  113   3HD2  LEU  18          1HD2      LEU  18  -2.862  -0.445   8.247
  114    H    CYS  19           HN       CYS  19  -4.266  -3.720   3.271
  115    HA   CYS  19           HA       CYS  19  -6.963  -2.545   3.248
  116   1HB   CYS  19          2HB       CYS  19  -5.079  -3.163   0.966
  117   2HB   CYS  19          3HB       CYS  19  -6.465  -2.050   0.889
  118    H    THR  20           HN       THR  20  -8.472  -3.598   1.516
  119    HA   THR  20           HA       THR  20  -8.375  -6.488   1.853
  120    HB   THR  20           HB       THR  20 -10.294  -4.984   0.076
  121    HG1  THR  20          1HG       THR  20 -11.141  -4.290   1.753
  122   1HG2  THR  20          1HG2      THR  20 -10.309  -7.703   1.424
  123   2HG2  THR  20          2HG2      THR  20 -11.686  -6.960   0.579
  124   3HG2  THR  20          3HG2      THR  20 -10.210  -7.379  -0.313
  125    H    GLU  21           HN       GLU  21  -9.052  -5.086  -1.359
  126    HA   GLU  21           HA       GLU  21  -6.903  -5.383  -2.848
  127   1HB   GLU  21          2HB       GLU  21  -6.535  -7.753  -2.229
  128   2HB   GLU  21          3HB       GLU  21  -8.229  -8.114  -2.582
  129   1HG   GLU  21          2HG       GLU  21  -6.650  -8.885  -4.308
  130   2HG   GLU  21          3HG       GLU  21  -7.819  -7.748  -4.982
  131    H    GLY  22           HN       GLY  22  -7.588  -4.552  -4.742
  132   1HA   GLY  22          1HA       GLY  22  -9.056  -4.869  -6.631
  133   2HA   GLY  22          2HA       GLY  22 -10.471  -4.840  -5.576
  134    H    GLU  23           HN       GLU  23  -9.169  -2.686  -3.955
  135    HA   GLU  23           HA       GLU  23  -9.125  -0.305  -5.660
  136   1HB   GLU  23          2HB       GLU  23 -11.665  -1.353  -4.615
  137   2HB   GLU  23          3HB       GLU  23 -11.308   0.208  -3.893
  138   1HG   GLU  23          2HG       GLU  23 -11.343  -0.345  -6.894
  139   2HG   GLU  23          3HG       GLU  23 -12.629   0.421  -5.956
  140    H    ASP  24           HN       ASP  24  -9.739  -1.511  -2.316
  141    HA   ASP  24           HA       ASP  24  -8.668   0.840  -1.080
  142   1HB   ASP  24          2HB       ASP  24 -10.032  -1.154  -0.021
  143   2HB   ASP  24          3HB       ASP  24  -8.525  -1.991   0.098
  144    NH1  ARG  25           NH2      ARG  25  -3.386  -8.217  -2.523
  145    NH2  ARG  25           NH1      ARG  25  -3.487  -8.775  -0.280
  146    H    ARG  25           HN       ARG  25  -7.256  -2.374  -1.704
  147    HA   ARG  25           HA       ARG  25  -4.607  -1.745  -1.006
  148   1HB   ARG  25          2HB       ARG  25  -5.693  -3.589  -3.174
  149   2HB   ARG  25          3HB       ARG  25  -3.967  -3.274  -3.036
  150   1HG   ARG  25          2HG       ARG  25  -3.960  -3.970  -0.663
  151   2HG   ARG  25          3HG       ARG  25  -5.668  -4.471  -0.850
  152   1HD   ARG  25          2HD       ARG  25  -4.778  -5.844  -2.851
  153   2HD   ARG  25          3HD       ARG  25  -3.161  -5.491  -2.271
  154    HE   ARG  25           HE       ARG  25  -4.955  -6.628  -0.242
  155   1HH1  ARG  25          2HH2      ARG  25  -3.799  -7.727  -3.317
  156   2HH1  ARG  25          1HH2      ARG  25  -2.618  -8.855  -2.721
  157   1HH2  ARG  25          2HH1      ARG  25  -3.635  -8.500   0.690
  158   2HH2  ARG  25          1HH1      ARG  25  -2.964  -9.628  -0.484
  159    H    THR  26           HN       THR  26  -6.243  -1.350  -4.240
  160    HA   THR  26           HA       THR  26  -4.177  -0.699  -5.731
  161    HB   THR  26           HB       THR  26  -6.768   0.901  -5.871
  162    HG1  THR  26          1HG       THR  26  -7.568  -0.873  -6.926
  163   1HG2  THR  26          2HG2      THR  26  -4.616   0.051  -7.855
  164   2HG2  THR  26          3HG2      THR  26  -6.223   0.595  -8.356
  165   3HG2  THR  26          1HG2      THR  26  -5.172   1.678  -7.444
  166    H    GLY  27           HN       GLY  27  -5.867   1.913  -3.819
  167   1HA   GLY  27          1HA       GLY  27  -4.166   4.010  -4.685
  168   2HA   GLY  27          2HA       GLY  27  -5.016   3.955  -3.134
  169    H    CYS  28           HN       CYS  28  -3.879   1.826  -1.895
  170    HA   CYS  28           HA       CYS  28  -1.581   2.994  -0.664
  171   1HB   CYS  28          2HB       CYS  28  -3.296   1.632   0.354
  172   2HB   CYS  28          3HB       CYS  28  -2.792   0.190  -0.519
  173    OH   TYR  29           OH       TYR  29   1.446  -6.676  -3.972
  174    H    TYR  29           HN       TYR  29  -2.019   0.207  -2.766
  175    HA   TYR  29           HA       TYR  29   0.670  -0.730  -2.837
  176   1HB   TYR  29          2HB       TYR  29  -1.860  -1.594  -3.755
  177   2HB   TYR  29          3HB       TYR  29  -1.014  -1.252  -5.241
  178    HD1  TYR  29           HD1      TYR  29   1.322  -2.420  -5.571
  179    HD2  TYR  29           HD2      TYR  29  -1.531  -3.561  -2.546
  180    HE1  TYR  29           HE1      TYR  29   2.293  -4.693  -5.498
  181    HE2  TYR  29           HE2      TYR  29  -0.566  -5.844  -2.495
  182    HH   TYR  29           HH       TYR  29   2.412  -6.586  -3.953
  183    H    MET  30           HN       MET  30  -1.272   1.166  -5.217
  184    HA   MET  30           HA       MET  30   0.769   1.822  -7.028
  185   1HB   MET  30          2HB       MET  30  -1.631   3.460  -6.133
  186   2HB   MET  30          3HB       MET  30  -0.524   3.905  -7.441
  187   1HG   MET  30          2HG       MET  30  -1.090   1.890  -8.680
  188   2HG   MET  30          3HG       MET  30  -2.163   1.343  -7.416
  189   1HE   MET  30          3HE       MET  30  -1.474   3.920 -10.241
  190   2HE   MET  30          1HE       MET  30  -2.956   4.904 -10.250
  191   3HE   MET  30          2HE       MET  30  -1.795   5.073  -8.919
  192    OH   TYR  31           OH       TYR  31   3.798   9.000   0.655
  193    H    TYR  31           HN       TYR  31  -0.175   3.504  -3.970
  194    HA   TYR  31           HA       TYR  31   1.598   5.655  -4.255
  195   1HB   TYR  31          2HB       TYR  31  -0.087   5.540  -2.477
  196   2HB   TYR  31          3HB       TYR  31   0.797   4.256  -1.672
  197    HD1  TYR  31           HD1      TYR  31   3.038   4.706  -0.579
  198    HD2  TYR  31           HD2      TYR  31   0.653   7.820  -2.391
  199    HE1  TYR  31           HE1      TYR  31   4.294   6.398   0.685
  200    HE2  TYR  31           HE2      TYR  31   1.865   9.494  -1.046
  201    HH   TYR  31           HH       TYR  31   4.748   8.823   0.723
  202    H    ILE  32           HN       ILE  32   2.225   2.646  -2.373
  203    HA   ILE  32           HA       ILE  32   4.938   3.210  -1.731
  204    HB   ILE  32           HB       ILE  32   3.550   0.558  -2.301
  205   1HG1  ILE  32          2HG1      ILE  32   4.130   1.994   0.338
  206   2HG1  ILE  32          3HG1      ILE  32   2.555   1.911  -0.462
  207   1HG2  ILE  32          1HG2      ILE  32   6.114   0.401  -2.399
  208   2HG2  ILE  32          2HG2      ILE  32   6.111   0.899  -0.694
  209   3HG2  ILE  32          3HG2      ILE  32   5.341  -0.611  -1.218
  210   1HD1  ILE  32          3HD1      ILE  32   2.684  -0.576  -0.404
  211   2HD1  ILE  32          1HD1      ILE  32   4.172  -0.400   0.564
  212   3HD1  ILE  32          2HD1      ILE  32   2.635   0.126   1.222
  213    OH   TYR  33           OH       TYR  33   3.358  -2.490 -11.177
  214    H    TYR  33           HN       TYR  33   3.446   1.597  -4.463
  215    HA   TYR  33           HA       TYR  33   5.795   0.675  -5.726
  216   1HB   TYR  33          2HB       TYR  33   3.497  -0.158  -5.815
  217   2HB   TYR  33          3HB       TYR  33   3.006   1.320  -6.645
  218    HD1  TYR  33           HD1      TYR  33   3.984   1.547  -9.156
  219    HD2  TYR  33           HD2      TYR  33   4.230  -2.055  -6.785
  220    HE1  TYR  33           HE1      TYR  33   3.688   0.163 -11.193
  221    HE2  TYR  33           HE2      TYR  33   3.814  -3.410  -8.786
  222    HH   TYR  33           HH       TYR  33   3.256  -1.987 -12.000
  223    H    SER  34           HN       SER  34   4.230   3.807  -5.657
  224    HA   SER  34           HA       SER  34   5.742   4.860  -7.973
  225   1HB   SER  34          2HB       SER  34   3.647   6.120  -6.178
  226   2HB   SER  34          3HB       SER  34   4.408   6.819  -7.601
  227    HG   SER  34           HG       SER  34   2.897   4.396  -7.512
  228    H    ASN  35           HN       ASN  35   6.208   4.458  -4.652
  229    HA   ASN  35           HA       ASN  35   7.985   6.883  -4.461
  230   1HB   ASN  35          2HB       ASN  35   5.860   5.781  -2.543
  231   2HB   ASN  35          3HB       ASN  35   7.122   6.877  -2.033
  232   1HD2  ASN  35          2HD2      ASN  35   4.094   8.316  -4.417
  233   2HD2  ASN  35          1HD2      ASN  35   4.203   6.618  -3.965
  234    H    CYS  36           HN       CYS  36   7.882   3.495  -3.903
  235    HA   CYS  36           HA       CYS  36  10.038   3.711  -1.852
  236   1HB   CYS  36          2HB       CYS  36   7.615   2.426  -1.623
  237   2HB   CYS  36          3HB       CYS  36   8.647   1.139  -2.287
  238    HA   PRO  37           HA       PRO  37  12.555   2.057  -5.055
  239   1HB   PRO  37          2HB       PRO  37  14.773   1.234  -3.722
  240   2HB   PRO  37          3HB       PRO  37  14.308   2.947  -3.811
  241   1HG   PRO  37          2HG       PRO  37  13.716   0.953  -1.590
  242   2HG   PRO  37          3HG       PRO  37  14.461   2.547  -1.421
  243   1HD   PRO  37          2HD       PRO  37  11.785   2.103  -1.053
  244   2HD   PRO  37          3HD       PRO  37  12.343   3.636  -1.791
  245    HA   PRO  38           HA       PRO  38  13.764   0.745  -6.424
  246   1HB   PRO  38          2HB       PRO  38  13.802  -1.243  -8.269
  247   2HB   PRO  38          3HB       PRO  38  14.737  -1.388  -6.760
  248   1HG   PRO  38          2HG       PRO  38  11.978  -2.515  -7.339
  249   2HG   PRO  38          3HG       PRO  38  13.418  -3.392  -6.742
  250   1HD   PRO  38          2HD       PRO  38  11.479  -2.362  -5.063
  251   2HD   PRO  38          3HD       PRO  38  13.197  -2.476  -4.597
  252    OH   TYR  39           OH       TYR  39   7.574  -4.455  -3.965
  253    H    TYR  39           HN       TYR  39  10.579   0.548  -5.847
  254    HA   TYR  39           HA       TYR  39   9.490   0.123  -8.492
  255   1HB   TYR  39          2HB       TYR  39   8.070   1.149  -6.028
  256   2HB   TYR  39          3HB       TYR  39   7.409   0.399  -7.485
  257    HD1  TYR  39           HD2      TYR  39   9.350  -0.330  -4.369
  258    HD2  TYR  39           HD1      TYR  39   7.104  -1.909  -7.694
  259    HE1  TYR  39           HE2      TYR  39   9.091  -2.465  -3.175
  260    HE2  TYR  39           HE1      TYR  39   6.713  -3.980  -6.418
  261    HH   TYR  39           HH       TYR  39   6.615  -4.589  -4.043
  262    H    VAL  40           HN       VAL  40   9.592   2.833  -6.212
  263    HA   VAL  40           HA       VAL  40   8.937   5.064  -6.611
  264    HB   VAL  40           HB       VAL  40  11.212   6.126  -7.430
  265   1HG1  VAL  40          3HG1      VAL  40  10.419   6.181  -5.143
  266   2HG1  VAL  40          1HG1      VAL  40  11.011   4.525  -4.879
  267   3HG1  VAL  40          2HG1      VAL  40  12.150   5.840  -5.221
  268   1HG2  VAL  40          1HG2      VAL  40  12.091   4.006  -8.404
  269   2HG2  VAL  40          2HG2      VAL  40  13.118   4.684  -7.115
  270   3HG2  VAL  40          3HG2      VAL  40  12.076   3.293  -6.776
   
  Start of MODEL          12
 Raw file had  270 H/Q atoms
  Start of MODEL   12
    1   1H    ASP   1          1HN       ASP   1  -9.353   0.956   5.454
    2   2H    ASP   1          2HN       ASP   1  -9.870   0.288   6.873
    3   3H    ASP   1          3HN       ASP   1 -10.731   1.519   6.159
    4    HA   ASP   1           HA       ASP   1  -9.052   3.077   6.666
    5   1HB   ASP   1          2HB       ASP   1  -8.849   2.971   9.096
    6   2HB   ASP   1          3HB       ASP   1 -10.475   2.532   8.608
    7    H    ALA   2           HN       ALA   2  -7.017   3.269   8.060
    8    HA   ALA   2           HA       ALA   2  -4.840   3.012   8.438
    9   1HB   ALA   2          3HB       ALA   2  -5.880   0.281   8.665
   10   2HB   ALA   2          1HB       ALA   2  -4.157   0.367   8.224
   11   3HB   ALA   2          2HB       ALA   2  -4.754   1.178   9.675
   12    H    CYS   3           HN       CYS   3  -5.931   1.484   5.540
   13    HA   CYS   3           HA       CYS   3  -3.895   0.606   4.149
   14   1HB   CYS   3          2HB       CYS   3  -6.184   2.389   3.311
   15   2HB   CYS   3          3HB       CYS   3  -4.983   1.935   2.107
   16    H    GLU   4           HN       GLU   4  -4.647   4.147   3.930
   17    HA   GLU   4           HA       GLU   4  -2.323   4.597   2.365
   18   1HB   GLU   4          2HB       GLU   4  -4.283   6.153   2.440
   19   2HB   GLU   4          3HB       GLU   4  -3.717   6.738   4.022
   20   1HG   GLU   4          2HG       GLU   4  -1.543   7.360   2.970
   21   2HG   GLU   4          3HG       GLU   4  -2.110   6.749   1.418
   22    H    GLN   5           HN       GLN   5  -2.852   4.850   5.903
   23    HA   GLN   5           HA       GLN   5  -0.255   5.860   6.533
   24   1HB   GLN   5          2HB       GLN   5  -2.294   5.731   7.998
   25   2HB   GLN   5          3HB       GLN   5  -1.929   4.031   8.283
   26   1HG   GLN   5          2HG       GLN   5  -0.182   6.459   8.902
   27   2HG   GLN   5          3HG       GLN   5  -1.119   5.529  10.067
   28   1HE2  GLN   5          2HE2      GLN   5   1.166   2.610   9.803
   29   2HE2  GLN   5          1HE2      GLN   5  -0.516   2.853   9.453
   30    H    ALA   6           HN       ALA   6  -1.446   2.504   5.948
   31    HA   ALA   6           HA       ALA   6   0.986   1.194   6.761
   32   1HB   ALA   6          1HB       ALA   6  -1.383   0.457   5.024
   33   2HB   ALA   6          2HB       ALA   6   0.077  -0.502   4.945
   34   3HB   ALA   6          3HB       ALA   6  -0.767  -0.298   6.497
   35    H    ALA   7           HN       ALA   7  -0.184   2.493   3.612
   36    HA   ALA   7           HA       ALA   7   2.221   1.805   2.292
   37   1HB   ALA   7          3HB       ALA   7   0.019   3.715   1.544
   38   2HB   ALA   7          1HB       ALA   7   1.449   3.414   0.514
   39   3HB   ALA   7          2HB       ALA   7   0.391   2.090   0.932
   40    H    ILE   8           HN       ILE   8   1.406   4.674   4.080
   41    HA   ILE   8           HA       ILE   8   3.694   6.214   3.367
   42    HB   ILE   8           HB       ILE   8   1.557   6.296   5.371
   43   1HG1  ILE   8          2HG1      ILE   8   1.984   8.750   5.162
   44   2HG1  ILE   8          3HG1      ILE   8   3.402   8.370   4.165
   45   1HG2  ILE   8          2HG2      ILE   8   4.260   7.253   6.321
   46   2HG2  ILE   8          3HG2      ILE   8   2.678   7.648   7.031
   47   3HG2  ILE   8          1HG2      ILE   8   3.244   5.969   7.060
   48   1HD1  ILE   8          2HD1      ILE   8   1.870   7.221   2.533
   49   2HD1  ILE   8          3HD1      ILE   8   0.519   7.595   3.617
   50   3HD1  ILE   8          1HD1      ILE   8   1.400   8.915   2.807
   51    H    GLN   9           HN       GLN   9   3.294   3.574   5.767
   52    HA   GLN   9           HA       GLN   9   5.963   3.946   6.754
   53   1HB   GLN   9          2HB       GLN   9   4.078   2.698   7.914
   54   2HB   GLN   9          3HB       GLN   9   4.409   1.346   6.837
   55   1HG   GLN   9          2HG       GLN   9   6.897   2.363   8.036
   56   2HG   GLN   9          3HG       GLN   9   5.706   2.074   9.276
   57   1HE2  GLN   9          2HE2      GLN   9   7.601  -1.048   7.374
   58   2HE2  GLN   9          1HE2      GLN   9   7.631   0.581   6.712
   59    H    CYS  10           HN       CYS  10   4.946   2.870   3.669
   60    HA   CYS  10           HA       CYS  10   6.139   2.317   1.914
   61   1HB   CYS  10          2HB       CYS  10   7.791   3.842   2.815
   62   2HB   CYS  10          3HB       CYS  10   8.631   2.507   3.628
   63    H    VAL  11           HN       VAL  11   4.810   0.262   3.082
   64    HA   VAL  11           HA       VAL  11   6.549  -2.086   2.844
   65    HB   VAL  11           HB       VAL  11   4.523  -2.813   4.469
   66   1HG1  VAL  11          2HG1      VAL  11   6.835  -3.642   4.573
   67   2HG1  VAL  11          3HG1      VAL  11   7.369  -2.057   5.171
   68   3HG1  VAL  11          1HG1      VAL  11   6.294  -3.070   6.157
   69   1HG2  VAL  11          1HG2      VAL  11   4.003  -0.514   4.873
   70   2HG2  VAL  11          2HG2      VAL  11   4.663  -1.321   6.333
   71   3HG2  VAL  11          3HG2      VAL  11   5.700  -0.223   5.380
   72    H    GLU  12           HN       GLU  12   5.815  -2.944   0.817
   73    HA   GLU  12           HA       GLU  12   3.109  -2.773  -0.200
   74   1HB   GLU  12          2HB       GLU  12   5.321  -4.832  -0.680
   75   2HB   GLU  12          3HB       GLU  12   3.723  -4.847  -1.418
   76   1HG   GLU  12          2HG       GLU  12   4.163  -2.564  -2.373
   77   2HG   GLU  12          3HG       GLU  12   5.832  -2.701  -1.772
   78    H    SER  13           HN       SER  13   4.842  -5.035   1.794
   79    HA   SER  13           HA       SER  13   2.677  -6.845   1.954
   80   1HB   SER  13          2HB       SER  13   5.174  -7.303   2.470
   81   2HB   SER  13          3HB       SER  13   4.862  -6.555   4.039
   82    HG   SER  13           HG       SER  13   3.159  -8.236   4.236
   83    H    ALA  14           HN       ALA  14   3.047  -3.816   3.598
   84    HA   ALA  14           HA       ALA  14   1.185  -4.606   5.737
   85   1HB   ALA  14          3HB       ALA  14   1.854  -1.820   4.762
   86   2HB   ALA  14          1HB       ALA  14   0.797  -2.280   6.123
   87   3HB   ALA  14          2HB       ALA  14   2.522  -2.641   6.206
   88    H    CYS  15           HN       CYS  15   1.030  -2.813   2.501
   89    HA   CYS  15           HA       CYS  15  -1.735  -2.427   2.548
   90   1HB   CYS  15          2HB       CYS  15   0.031  -3.138   0.153
   91   2HB   CYS  15          3HB       CYS  15  -1.594  -2.455   0.095
   92    H    GLU  16           HN       GLU  16   0.128  -5.224   1.461
   93    HA   GLU  16           HA       GLU  16  -1.779  -6.837   0.317
   94   1HB   GLU  16          2HB       GLU  16   0.616  -7.208   0.356
   95   2HB   GLU  16          3HB       GLU  16   0.570  -7.551   2.086
   96   1HG   GLU  16          2HG       GLU  16  -1.123  -9.274   0.292
   97   2HG   GLU  16          3HG       GLU  16   0.634  -9.458   0.198
   98    H    SER  17           HN       SER  17  -0.894  -6.986   3.851
   99    HA   SER  17           HA       SER  17  -3.239  -8.632   4.423
  100   1HB   SER  17          2HB       SER  17  -2.250  -8.095   6.840
  101   2HB   SER  17          3HB       SER  17  -1.538  -9.281   5.752
  102    HG   SER  17           HG       SER  17  -0.691  -6.583   6.123
  103    H    LEU  18           HN       LEU  18  -2.428  -5.239   4.596
  104    HA   LEU  18           HA       LEU  18  -4.351  -4.476   6.625
  105   1HB   LEU  18          2HB       LEU  18  -2.152  -3.302   5.937
  106   2HB   LEU  18          3HB       LEU  18  -3.071  -2.616   4.596
  107    HG   LEU  18           HG       LEU  18  -3.217  -0.989   6.282
  108   1HD1  LEU  18          1HD1      LEU  18  -5.486  -1.663   5.484
  109   2HD1  LEU  18          2HD1      LEU  18  -5.659  -2.663   6.965
  110   3HD1  LEU  18          3HD1      LEU  18  -5.457  -0.942   7.056
  111   1HD2  LEU  18          2HD2      LEU  18  -3.305  -3.324   8.235
  112   2HD2  LEU  18          3HD2      LEU  18  -2.037  -2.109   7.985
  113   3HD2  LEU  18          1HD2      LEU  18  -3.571  -1.655   8.726
  114    H    CYS  19           HN       CYS  19  -4.135  -3.836   3.057
  115    HA   CYS  19           HA       CYS  19  -6.880  -2.853   3.116
  116   1HB   CYS  19          2HB       CYS  19  -4.970  -3.226   0.842
  117   2HB   CYS  19          3HB       CYS  19  -6.519  -2.378   0.697
  118    H    THR  20           HN       THR  20  -8.418  -3.954   1.492
  119    HA   THR  20           HA       THR  20  -8.073  -6.875   1.454
  120    HB   THR  20           HB       THR  20 -10.316  -5.103   0.510
  121    HG1  THR  20          1HG       THR  20  -9.931  -6.759   2.786
  122   1HG2  THR  20          1HG2      THR  20  -9.947  -8.127   0.619
  123   2HG2  THR  20          2HG2      THR  20 -11.559  -7.373   0.680
  124   3HG2  THR  20          3HG2      THR  20 -10.519  -7.157  -0.733
  125    H    GLU  21           HN       GLU  21  -9.475  -5.357  -1.427
  126    HA   GLU  21           HA       GLU  21  -7.363  -5.375  -3.213
  127   1HB   GLU  21          2HB       GLU  21  -8.128  -8.139  -2.486
  128   2HB   GLU  21          3HB       GLU  21  -8.455  -7.814  -4.177
  129   1HG   GLU  21          2HG       GLU  21  -6.086  -6.857  -4.379
  130   2HG   GLU  21          3HG       GLU  21  -5.815  -7.530  -2.761
  131    H    GLY  22           HN       GLY  22  -8.404  -3.900  -4.438
  132   1HA   GLY  22          1HA       GLY  22 -10.013  -3.758  -6.364
  133   2HA   GLY  22          2HA       GLY  22 -11.254  -4.408  -5.273
  134    H    GLU  23           HN       GLU  23  -9.034  -1.830  -5.827
  135    HA   GLU  23           HA       GLU  23  -9.198   0.409  -5.694
  136   1HB   GLU  23          2HB       GLU  23 -10.957   1.605  -5.093
  137   2HB   GLU  23          3HB       GLU  23 -11.801   0.081  -5.196
  138   1HG   GLU  23          2HG       GLU  23 -12.601   1.056  -3.249
  139   2HG   GLU  23          3HG       GLU  23 -11.456  -0.110  -2.617
  140    H    ASP  24           HN       ASP  24  -9.736  -1.555  -2.839
  141    HA   ASP  24           HA       ASP  24  -8.700   0.236  -1.098
  142   1HB   ASP  24          2HB       ASP  24 -10.056  -1.892  -0.602
  143   2HB   ASP  24          3HB       ASP  24  -8.596  -2.802  -0.635
  144    NH1  ARG  25           NH2      ARG  25  -2.912  -8.423  -2.201
  145    NH2  ARG  25           NH1      ARG  25  -4.050  -8.979  -0.235
  146    H    ARG  25           HN       ARG  25  -7.097  -2.769  -2.076
  147    HA   ARG  25           HA       ARG  25  -4.573  -1.908  -1.096
  148   1HB   ARG  25          2HB       ARG  25  -5.319  -3.847  -3.373
  149   2HB   ARG  25          3HB       ARG  25  -3.631  -3.397  -3.068
  150   1HG   ARG  25          2HG       ARG  25  -3.875  -4.066  -0.693
  151   2HG   ARG  25          3HG       ARG  25  -5.509  -4.672  -1.096
  152   1HD   ARG  25          2HD       ARG  25  -4.163  -6.014  -2.940
  153   2HD   ARG  25          3HD       ARG  25  -2.735  -5.569  -1.947
  154    HE   ARG  25           HE       ARG  25  -4.884  -6.673  -0.390
  155   1HH1  ARG  25          2HH2      ARG  25  -2.608  -7.720  -2.874
  156   2HH1  ARG  25          1HH2      ARG  25  -2.787  -9.401  -2.459
  157   1HH2  ARG  25          2HH1      ARG  25  -4.416  -8.604   0.634
  158   2HH2  ARG  25          1HH1      ARG  25  -3.779  -9.960  -0.204
  159    H    THR  26           HN       THR  26  -6.188  -1.543  -4.308
  160    HA   THR  26           HA       THR  26  -4.067  -0.833  -5.751
  161    HB   THR  26           HB       THR  26  -6.702   0.661  -6.022
  162    HG1  THR  26          1HG       THR  26  -5.972  -2.049  -6.590
  163   1HG2  THR  26          3HG2      THR  26  -4.801   1.266  -7.536
  164   2HG2  THR  26          1HG2      THR  26  -4.699  -0.428  -8.048
  165   3HG2  THR  26          2HG2      THR  26  -6.142   0.555  -8.416
  166    H    GLY  27           HN       GLY  27  -5.815   1.598  -3.640
  167   1HA   GLY  27          1HA       GLY  27  -4.110   3.728  -4.577
  168   2HA   GLY  27          2HA       GLY  27  -5.030   3.740  -3.065
  169    H    CYS  28           HN       CYS  28  -4.013   1.800  -1.557
  170    HA   CYS  28           HA       CYS  28  -1.721   2.785  -0.359
  171   1HB   CYS  28          2HB       CYS  28  -3.426   1.309   0.589
  172   2HB   CYS  28          3HB       CYS  28  -2.882  -0.046  -0.391
  173    OH   TYR  29           OH       TYR  29   2.342  -6.234  -2.944
  174    H    TYR  29           HN       TYR  29  -2.027   0.039  -2.504
  175    HA   TYR  29           HA       TYR  29   0.668  -0.830  -2.535
  176   1HB   TYR  29          2HB       TYR  29  -1.817  -1.803  -3.454
  177   2HB   TYR  29          3HB       TYR  29  -0.973  -1.458  -4.944
  178    HD1  TYR  29           HD1      TYR  29   1.177  -2.658  -5.450
  179    HD2  TYR  29           HD2      TYR  29  -1.175  -3.540  -1.951
  180    HE1  TYR  29           HE1      TYR  29   2.495  -4.706  -5.070
  181    HE2  TYR  29           HE2      TYR  29   0.229  -5.540  -1.507
  182    HH   TYR  29           HH       TYR  29   3.197  -5.974  -3.335
  183    H    MET  30           HN       MET  30  -1.309   0.966  -4.999
  184    HA   MET  30           HA       MET  30   0.764   1.404  -6.834
  185   1HB   MET  30          2HB       MET  30  -1.733   3.033  -6.274
  186   2HB   MET  30          3HB       MET  30  -0.566   3.426  -7.519
  187   1HG   MET  30          2HG       MET  30  -0.815   1.124  -8.498
  188   2HG   MET  30          3HG       MET  30  -2.168   0.850  -7.424
  189   1HE   MET  30          3HE       MET  30  -3.379   0.202  -9.722
  190   2HE   MET  30          1HE       MET  30  -3.626   1.339 -11.068
  191   3HE   MET  30          2HE       MET  30  -2.003   0.692 -10.717
  192    OH   TYR  31           OH       TYR  31   3.389   9.375   0.312
  193    H    TYR  31           HN       TYR  31  -0.118   3.245  -3.882
  194    HA   TYR  31           HA       TYR  31   1.641   5.413  -4.361
  195   1HB   TYR  31          2HB       TYR  31  -0.093   5.323  -2.543
  196   2HB   TYR  31          3HB       TYR  31   0.901   4.184  -1.667
  197    HD1  TYR  31           HD2      TYR  31   0.518   7.671  -2.744
  198    HD2  TYR  31           HD1      TYR  31   2.977   4.911  -0.512
  199    HE1  TYR  31           HE2      TYR  31   1.531   9.559  -1.500
  200    HE2  TYR  31           HE1      TYR  31   3.991   6.806   0.709
  201    HH   TYR  31           HH       TYR  31   3.780   9.189   1.178
  202    H    ILE  32           HN       ILE  32   2.356   2.617  -2.174
  203    HA   ILE  32           HA       ILE  32   5.107   3.132  -1.821
  204    HB   ILE  32           HB       ILE  32   3.522   0.552  -2.052
  205   1HG1  ILE  32          2HG1      ILE  32   4.944   1.523   0.400
  206   2HG1  ILE  32          3HG1      ILE  32   3.464   2.378  -0.053
  207   1HG2  ILE  32          1HG2      ILE  32   6.463   0.848  -1.305
  208   2HG2  ILE  32          2HG2      ILE  32   5.501  -0.568  -0.919
  209   3HG2  ILE  32          3HG2      ILE  32   5.791  -0.153  -2.610
  210   1HD1  ILE  32          3HD1      ILE  32   3.462  -0.637  -0.028
  211   2HD1  ILE  32          1HD1      ILE  32   3.307   0.246   1.490
  212   3HD1  ILE  32          2HD1      ILE  32   2.151   0.531   0.158
  213    OH   TYR  33           OH       TYR  33   3.766  -3.002 -11.014
  214    H    TYR  33           HN       TYR  33   3.455   1.321  -4.319
  215    HA   TYR  33           HA       TYR  33   5.580   0.259  -5.721
  216   1HB   TYR  33          2HB       TYR  33   3.209  -0.373  -5.837
  217   2HB   TYR  33          3HB       TYR  33   2.874   1.176  -6.634
  218    HD1  TYR  33           HD2      TYR  33   5.026  -1.888  -6.833
  219    HD2  TYR  33           HD1      TYR  33   2.729   0.996  -9.081
  220    HE1  TYR  33           HE2      TYR  33   5.109  -3.361  -8.797
  221    HE2  TYR  33           HE1      TYR  33   2.755  -0.529 -11.037
  222    HH   TYR  33           HH       TYR  33   3.621  -2.605 -11.887
  223    H    SER  34           HN       SER  34   4.344   3.608  -5.851
  224    HA   SER  34           HA       SER  34   6.364   4.194  -7.997
  225   1HB   SER  34          2HB       SER  34   3.977   5.792  -7.040
  226   2HB   SER  34          3HB       SER  34   5.056   6.181  -8.370
  227    HG   SER  34           HG       SER  34   3.396   5.154  -9.354
  228    H    ASN  35           HN       ASN  35   5.737   4.555  -4.603
  229    HA   ASN  35           HA       ASN  35   7.150   7.181  -4.442
  230   1HB   ASN  35          2HB       ASN  35   5.541   5.558  -2.448
  231   2HB   ASN  35          3HB       ASN  35   6.603   6.870  -1.946
  232   1HD2  ASN  35          2HD2      ASN  35   3.357   7.889  -4.281
  233   2HD2  ASN  35          1HD2      ASN  35   4.077   6.289  -4.433
  234    H    CYS  36           HN       CYS  36   7.680   3.779  -3.689
  235    HA   CYS  36           HA       CYS  36   9.915   4.422  -1.853
  236   1HB   CYS  36          2HB       CYS  36   8.146   1.997  -2.340
  237   2HB   CYS  36          3HB       CYS  36   9.561   1.925  -1.319
  238    HA   PRO  37           HA       PRO  37  12.790   2.403  -4.702
  239   1HB   PRO  37          2HB       PRO  37  14.392   1.011  -2.948
  240   2HB   PRO  37          3HB       PRO  37  14.534   2.765  -3.261
  241   1HG   PRO  37          2HG       PRO  37  13.076   1.396  -0.992
  242   2HG   PRO  37          3HG       PRO  37  14.199   2.784  -0.889
  243   1HD   PRO  37          2HD       PRO  37  11.508   3.111  -0.889
  244   2HD   PRO  37          3HD       PRO  37  12.545   4.265  -1.774
  245    HA   PRO  38           HA       PRO  38  14.042   0.739  -5.646
  246   1HB   PRO  38          2HB       PRO  38  14.107  -1.247  -7.458
  247   2HB   PRO  38          3HB       PRO  38  14.533  -1.555  -5.758
  248   1HG   PRO  38          2HG       PRO  38  11.833  -2.031  -7.070
  249   2HG   PRO  38          3HG       PRO  38  12.824  -3.198  -6.145
  250   1HD   PRO  38          2HD       PRO  38  10.808  -1.704  -5.000
  251   2HD   PRO  38          3HD       PRO  38  12.283  -2.153  -4.098
  252    OH   TYR  39           OH       TYR  39   7.672  -3.346  -6.263
  253    H    TYR  39           HN       TYR  39  11.084   1.757  -5.855
  254    HA   TYR  39           HA       TYR  39  10.728   1.828  -8.789
  255   1HB   TYR  39          2HB       TYR  39   8.758   2.644  -6.615
  256   2HB   TYR  39          3HB       TYR  39   8.501   2.300  -8.313
  257    HD1  TYR  39           HD1      TYR  39   9.350  -0.154  -8.998
  258    HD2  TYR  39           HD2      TYR  39   8.179   1.014  -5.034
  259    HE1  TYR  39           HE1      TYR  39   8.727  -2.512  -8.481
  260    HE2  TYR  39           HE2      TYR  39   7.514  -1.320  -4.536
  261    HH   TYR  39           HH       TYR  39   7.068  -3.420  -5.507
  262    H    VAL  40           HN       VAL  40   9.459   4.310  -6.805
  263    HA   VAL  40           HA       VAL  40   9.774   6.477  -6.575
  264    HB   VAL  40           HB       VAL  40  12.693   6.182  -7.084
  265   1HG1  VAL  40          2HG1      VAL  40  11.709   8.456  -6.927
  266   2HG1  VAL  40          3HG1      VAL  40  11.045   8.045  -5.332
  267   3HG1  VAL  40          1HG1      VAL  40  12.802   8.099  -5.575
  268   1HG2  VAL  40          2HG2      VAL  40  11.153   5.627  -4.526
  269   2HG2  VAL  40          3HG2      VAL  40  12.195   4.491  -5.420
  270   3HG2  VAL  40          1HG2      VAL  40  12.907   5.882  -4.602
   
  Start of MODEL          13
 Raw file had  270 H/Q atoms
  Start of MODEL   13
    1   1H    ASP   1          3HN       ASP   1  -7.205   4.045  11.417
    2   2H    ASP   1          1HN       ASP   1  -5.841   4.934  11.396
    3   3H    ASP   1          2HN       ASP   1  -7.364   5.649  11.369
    4    HA   ASP   1           HA       ASP   1  -7.828   4.571   9.221
    5   1HB   ASP   1          2HB       ASP   1  -6.598   6.768   9.226
    6   2HB   ASP   1          3HB       ASP   1  -5.213   5.758   8.841
    7    H    ALA   2           HN       ALA   2  -5.668   3.829   7.420
    8    HA   ALA   2           HA       ALA   2  -4.453   1.452   8.635
    9   1HB   ALA   2          2HB       ALA   2  -7.031   1.247   7.003
   10   2HB   ALA   2          3HB       ALA   2  -5.899  -0.093   7.124
   11   3HB   ALA   2          1HB       ALA   2  -6.675   0.532   8.581
   12    H    CYS   3           HN       CYS   3  -5.852   1.789   5.465
   13    HA   CYS   3           HA       CYS   3  -3.698   0.715   4.111
   14   1HB   CYS   3          2HB       CYS   3  -5.933   2.561   3.309
   15   2HB   CYS   3          3HB       CYS   3  -4.735   2.070   2.130
   16    H    GLU   4           HN       GLU   4  -4.474   4.197   4.398
   17    HA   GLU   4           HA       GLU   4  -2.249   5.186   2.972
   18   1HB   GLU   4          2HB       GLU   4  -4.343   6.345   4.541
   19   2HB   GLU   4          3HB       GLU   4  -2.832   6.925   5.223
   20   1HG   GLU   4          2HG       GLU   4  -3.320   8.557   3.688
   21   2HG   GLU   4          3HG       GLU   4  -2.169   7.563   2.805
   22    H    GLN   5           HN       GLN   5  -2.558   4.303   6.417
   23    HA   GLN   5           HA       GLN   5  -0.003   5.428   7.131
   24   1HB   GLN   5          2HB       GLN   5  -1.629   3.335   8.637
   25   2HB   GLN   5          3HB       GLN   5  -0.321   4.359   9.259
   26   1HG   GLN   5          2HG       GLN   5  -1.684   6.388   8.805
   27   2HG   GLN   5          3HG       GLN   5  -3.008   5.364   8.226
   28   1HE2  GLN   5          2HE2      GLN   5  -2.260   5.638  12.267
   29   2HE2  GLN   5          1HE2      GLN   5  -1.130   6.306  11.112
   30    H    ALA   6           HN       ALA   6  -1.085   2.208   6.037
   31    HA   ALA   6           HA       ALA   6   1.422   0.819   6.433
   32   1HB   ALA   6          2HB       ALA   6  -0.968   0.512   4.592
   33   2HB   ALA   6          3HB       ALA   6   0.512  -0.352   4.218
   34   3HB   ALA   6          1HB       ALA   6  -0.284  -0.606   5.780
   35    H    ALA   7           HN       ALA   7   0.048   2.669   3.692
   36    HA   ALA   7           HA       ALA   7   2.411   2.300   2.139
   37   1HB   ALA   7          2HB       ALA   7  -0.054   3.991   1.795
   38   2HB   ALA   7          3HB       ALA   7   1.258   3.920   0.582
   39   3HB   ALA   7          1HB       ALA   7   0.381   2.464   1.013
   40    H    ILE   8           HN       ILE   8   1.505   4.875   4.288
   41    HA   ILE   8           HA       ILE   8   3.685   6.626   3.704
   42    HB   ILE   8           HB       ILE   8   1.641   6.238   5.825
   43   1HG1  ILE   8          2HG1      ILE   8   1.805   8.763   5.856
   44   2HG1  ILE   8          3HG1      ILE   8   3.048   8.647   4.599
   45   1HG2  ILE   8          1HG2      ILE   8   4.279   7.426   6.622
   46   2HG2  ILE   8          2HG2      ILE   8   2.746   7.554   7.524
   47   3HG2  ILE   8          3HG2      ILE   8   3.480   5.967   7.306
   48   1HD1  ILE   8          2HD1      ILE   8   1.362   7.460   3.155
   49   2HD1  ILE   8          3HD1      ILE   8   0.168   7.662   4.469
   50   3HD1  ILE   8          1HD1      ILE   8   0.834   9.089   3.650
   51    H    GLN   9           HN       GLN   9   3.354   3.710   5.848
   52    HA   GLN   9           HA       GLN   9   5.928   4.031   6.952
   53   1HB   GLN   9          2HB       GLN   9   3.993   2.436   7.766
   54   2HB   GLN   9          3HB       GLN   9   4.599   1.350   6.546
   55   1HG   GLN   9          2HG       GLN   9   6.940   2.028   7.770
   56   2HG   GLN   9          3HG       GLN   9   5.852   2.255   9.112
   57   1HE2  GLN   9          2HE2      GLN   9   7.287  -1.357   8.582
   58   2HE2  GLN   9          1HE2      GLN   9   8.036   0.219   8.382
   59    H    CYS  10           HN       CYS  10   4.836   2.572   3.923
   60    HA   CYS  10           HA       CYS  10   6.062   2.348   1.939
   61   1HB   CYS  10          2HB       CYS  10   7.877   3.796   3.200
   62   2HB   CYS  10          3HB       CYS  10   8.740   2.268   3.319
   63    H    VAL  11           HN       VAL  11   4.771   0.252   3.086
   64    HA   VAL  11           HA       VAL  11   6.641  -2.013   2.738
   65    HB   VAL  11           HB       VAL  11   4.599  -2.844   4.415
   66   1HG1  VAL  11          2HG1      VAL  11   6.825  -3.855   4.216
   67   2HG1  VAL  11          3HG1      VAL  11   7.541  -2.421   4.999
   68   3HG1  VAL  11          1HG1      VAL  11   6.412  -3.459   5.893
   69   1HG2  VAL  11          1HG2      VAL  11   4.342  -0.515   5.127
   70   2HG2  VAL  11          2HG2      VAL  11   5.017  -1.563   6.400
   71   3HG2  VAL  11          3HG2      VAL  11   6.099  -0.458   5.510
   72    H    GLU  12           HN       GLU  12   5.964  -2.829   0.788
   73    HA   GLU  12           HA       GLU  12   3.419  -2.498  -0.414
   74   1HB   GLU  12          2HB       GLU  12   5.588  -3.200  -1.529
   75   2HB   GLU  12          3HB       GLU  12   5.298  -4.828  -0.898
   76   1HG   GLU  12          2HG       GLU  12   3.076  -4.772  -2.096
   77   2HG   GLU  12          3HG       GLU  12   3.585  -3.251  -2.864
   78    H    SER  13           HN       SER  13   4.748  -5.070   1.523
   79    HA   SER  13           HA       SER  13   2.259  -6.557   1.452
   80   1HB   SER  13          2HB       SER  13   3.479  -8.141   2.997
   81   2HB   SER  13          3HB       SER  13   4.303  -7.784   1.470
   82    HG   SER  13           HG       SER  13   5.727  -6.492   2.462
   83    H    ALA  14           HN       ALA  14   2.843  -3.810   3.127
   84    HA   ALA  14           HA       ALA  14   1.162  -4.609   5.427
   85   1HB   ALA  14          1HB       ALA  14   2.151  -1.858   4.639
   86   2HB   ALA  14          2HB       ALA  14   1.157  -2.292   6.049
   87   3HB   ALA  14          3HB       ALA  14   2.797  -2.914   5.921
   88    H    CYS  15           HN       CYS  15   0.939  -2.489   2.387
   89    HA   CYS  15           HA       CYS  15  -1.869  -2.047   2.529
   90   1HB   CYS  15          2HB       CYS  15  -0.044  -2.630   0.103
   91   2HB   CYS  15          3HB       CYS  15  -1.687  -2.007   0.018
   92    H    GLU  16           HN       GLU  16  -0.034  -4.798   1.075
   93    HA   GLU  16           HA       GLU  16  -2.199  -5.961  -0.149
   94   1HB   GLU  16          2HB       GLU  16  -0.922  -7.793  -0.518
   95   2HB   GLU  16          3HB       GLU  16   0.349  -6.649  -0.076
   96   1HG   GLU  16          2HG       GLU  16   0.390  -7.639   2.216
   97   2HG   GLU  16          3HG       GLU  16  -0.923  -8.730   1.780
   98    H    SER  17           HN       SER  17  -1.343  -6.202   3.270
   99    HA   SER  17           HA       SER  17  -3.401  -8.247   3.789
  100   1HB   SER  17          2HB       SER  17  -2.216  -8.187   6.048
  101   2HB   SER  17          3HB       SER  17  -1.294  -8.740   4.635
  102    HG   SER  17           HG       SER  17  -0.123  -6.911   4.609
  103    H    LEU  18           HN       LEU  18  -2.560  -4.937   4.550
  104    HA   LEU  18           HA       LEU  18  -4.512  -4.526   6.609
  105   1HB   LEU  18          2HB       LEU  18  -2.345  -3.363   6.418
  106   2HB   LEU  18          3HB       LEU  18  -2.850  -2.610   4.905
  107    HG   LEU  18           HG       LEU  18  -4.382  -1.247   5.907
  108   1HD1  LEU  18          2HD1      LEU  18  -4.089  -3.061   8.366
  109   2HD1  LEU  18          3HD1      LEU  18  -4.758  -1.449   8.559
  110   3HD1  LEU  18          1HD1      LEU  18  -5.585  -2.622   7.544
  111   1HD2  LEU  18          1HD2      LEU  18  -1.822  -1.490   7.526
  112   2HD2  LEU  18          2HD2      LEU  18  -2.323  -0.307   6.274
  113   3HD2  LEU  18          3HD2      LEU  18  -2.999  -0.223   7.904
  114    H    CYS  19           HN       CYS  19  -4.310  -3.816   3.113
  115    HA   CYS  19           HA       CYS  19  -6.934  -2.520   3.148
  116   1HB   CYS  19          2HB       CYS  19  -5.057  -3.209   0.864
  117   2HB   CYS  19          3HB       CYS  19  -6.564  -2.295   0.669
  118    H    THR  20           HN       THR  20  -8.550  -3.599   1.470
  119    HA   THR  20           HA       THR  20  -8.838  -6.439   2.032
  120    HB   THR  20           HB       THR  20 -10.790  -5.477   2.117
  121    HG1  THR  20          1HG       THR  20 -11.986  -6.565   0.675
  122   1HG2  THR  20          1HG2      THR  20  -9.942  -4.319  -0.498
  123   2HG2  THR  20          2HG2      THR  20 -11.652  -4.348   0.057
  124   3HG2  THR  20          3HG2      THR  20 -10.401  -3.541   1.044
  125    H    GLU  21           HN       GLU  21  -9.856  -6.282  -1.030
  126    HA   GLU  21           HA       GLU  21  -7.442  -6.112  -2.566
  127   1HB   GLU  21          2HB       GLU  21  -7.338  -8.434  -1.659
  128   2HB   GLU  21          3HB       GLU  21  -8.819  -8.839  -2.527
  129   1HG   GLU  21          2HG       GLU  21  -7.705  -8.557  -4.645
  130   2HG   GLU  21          3HG       GLU  21  -6.294  -7.796  -3.885
  131    H    GLY  22           HN       GLY  22  -8.038  -5.222  -4.511
  132   1HA   GLY  22          1HA       GLY  22  -9.770  -5.820  -6.400
  133   2HA   GLY  22          2HA       GLY  22 -10.884  -5.042  -5.257
  134    H    GLU  23           HN       GLU  23  -9.530  -3.156  -4.131
  135    HA   GLU  23           HA       GLU  23  -8.251  -1.290  -5.982
  136   1HB   GLU  23          2HB       GLU  23 -11.201  -1.082  -5.311
  137   2HB   GLU  23          3HB       GLU  23 -10.204   0.354  -5.430
  138   1HG   GLU  23          2HG       GLU  23  -9.384  -0.675  -7.735
  139   2HG   GLU  23          3HG       GLU  23 -10.909  -1.569  -7.630
  140    H    ASP  24           HN       ASP  24  -9.803  -1.897  -2.834
  141    HA   ASP  24           HA       ASP  24  -8.879   0.324  -1.429
  142   1HB   ASP  24          2HB       ASP  24 -10.128  -1.809  -0.541
  143   2HB   ASP  24          3HB       ASP  24  -8.568  -2.583  -0.472
  144    NH1  ARG  25           NH2      ARG  25  -3.448  -8.647  -2.122
  145    NH2  ARG  25           NH1      ARG  25  -5.029  -9.080  -0.501
  146    H    ARG  25           HN       ARG  25  -7.183  -2.659  -2.195
  147    HA   ARG  25           HA       ARG  25  -4.657  -1.894  -1.177
  148   1HB   ARG  25          2HB       ARG  25  -5.466  -3.699  -3.542
  149   2HB   ARG  25          3HB       ARG  25  -3.775  -3.389  -3.156
  150   1HG   ARG  25          2HG       ARG  25  -4.133  -4.230  -0.847
  151   2HG   ARG  25          3HG       ARG  25  -5.817  -4.594  -1.279
  152   1HD   ARG  25          2HD       ARG  25  -4.777  -6.060  -3.178
  153   2HD   ARG  25          3HD       ARG  25  -3.235  -5.832  -2.330
  154    HE   ARG  25           HE       ARG  25  -5.390  -6.578  -0.569
  155   1HH1  ARG  25          2HH2      ARG  25  -2.917  -8.022  -2.723
  156   2HH1  ARG  25          1HH2      ARG  25  -3.250  -9.647  -2.185
  157   1HH2  ARG  25          2HH1      ARG  25  -5.819  -8.778   0.055
  158   2HH2  ARG  25          1HH1      ARG  25  -4.810 -10.071  -0.507
  159    H    THR  26           HN       THR  26  -5.888  -1.710  -4.607
  160    HA   THR  26           HA       THR  26  -3.810  -0.683  -5.808
  161    HB   THR  26           HB       THR  26  -6.636   0.280  -6.339
  162    HG1  THR  26          1HG       THR  26  -6.587  -1.748  -7.569
  163   1HG2  THR  26          3HG2      THR  26  -4.193  -0.103  -8.122
  164   2HG2  THR  26          1HG2      THR  26  -5.850   0.119  -8.721
  165   3HG2  THR  26          2HG2      THR  26  -5.067   1.404  -7.787
  166    H    GLY  27           HN       GLY  27  -5.980   1.675  -3.959
  167   1HA   GLY  27          1HA       GLY  27  -4.350   3.894  -4.789
  168   2HA   GLY  27          2HA       GLY  27  -5.343   3.834  -3.334
  169    H    CYS  28           HN       CYS  28  -4.192   1.779  -1.925
  170    HA   CYS  28           HA       CYS  28  -2.058   3.104  -0.524
  171   1HB   CYS  28          2HB       CYS  28  -3.741   1.512   0.374
  172   2HB   CYS  28          3HB       CYS  28  -3.004   0.191  -0.505
  173    OH   TYR  29           OH       TYR  29   1.469  -6.229  -3.362
  174    H    TYR  29           HN       TYR  29  -2.316   0.451  -2.761
  175    HA   TYR  29           HA       TYR  29   0.340  -0.518  -2.614
  176   1HB   TYR  29          2HB       TYR  29  -2.123  -1.347  -3.744
  177   2HB   TYR  29          3HB       TYR  29  -1.135  -1.016  -5.154
  178    HD1  TYR  29           HD1      TYR  29   1.092  -2.174  -5.389
  179    HD2  TYR  29           HD2      TYR  29  -1.694  -3.172  -2.257
  180    HE1  TYR  29           HE1      TYR  29   2.246  -4.290  -5.030
  181    HE2  TYR  29           HE2      TYR  29  -0.606  -5.378  -1.982
  182    HH   TYR  29           HH       TYR  29   2.365  -6.175  -3.741
  183    H    MET  30           HN       MET  30  -1.436   1.380  -5.088
  184    HA   MET  30           HA       MET  30   0.679   1.833  -6.825
  185   1HB   MET  30          2HB       MET  30  -1.787   3.466  -6.262
  186   2HB   MET  30          3HB       MET  30  -0.679   3.847  -7.566
  187   1HG   MET  30          2HG       MET  30  -1.775   1.051  -7.492
  188   2HG   MET  30          3HG       MET  30  -2.792   2.395  -8.006
  189   1HE   MET  30          2HE       MET  30   0.335   0.227  -8.872
  190   2HE   MET  30          3HE       MET  30   0.843   0.931 -10.423
  191   3HE   MET  30          1HE       MET  30   1.151   1.818  -8.923
  192    OH   TYR  31           OH       TYR  31   4.228   9.065   0.410
  193    H    TYR  31           HN       TYR  31  -0.257   3.678  -3.879
  194    HA   TYR  31           HA       TYR  31   1.648   5.753  -4.199
  195   1HB   TYR  31          2HB       TYR  31  -0.098   5.733  -2.421
  196   2HB   TYR  31          3HB       TYR  31   0.742   4.434  -1.610
  197    HD1  TYR  31           HD1      TYR  31   3.049   4.805  -0.603
  198    HD2  TYR  31           HD2      TYR  31   0.599   8.018  -2.119
  199    HE1  TYR  31           HE1      TYR  31   4.501   6.439   0.501
  200    HE2  TYR  31           HE2      TYR  31   1.990   9.638  -0.867
  201    HH   TYR  31           HH       TYR  31   5.042   8.661   0.742
  202    H    ILE  32           HN       ILE  32   2.071   2.724  -2.276
  203    HA   ILE  32           HA       ILE  32   4.838   3.112  -1.688
  204    HB   ILE  32           HB       ILE  32   3.302   0.514  -2.147
  205   1HG1  ILE  32          2HG1      ILE  32   3.785   2.219   0.333
  206   2HG1  ILE  32          3HG1      ILE  32   2.226   1.886  -0.445
  207   1HG2  ILE  32          3HG2      ILE  32   5.865   0.283  -2.137
  208   2HG2  ILE  32          1HG2      ILE  32   5.808   0.884  -0.465
  209   3HG2  ILE  32          2HG2      ILE  32   5.014  -0.632  -0.927
  210   1HD1  ILE  32          3HD1      ILE  32   2.618  -0.560  -0.029
  211   2HD1  ILE  32          1HD1      ILE  32   4.017  -0.050   0.958
  212   3HD1  ILE  32          2HD1      ILE  32   2.387   0.359   1.456
  213    OH   TYR  33           OH       TYR  33   4.072  -2.234 -11.305
  214    H    TYR  33           HN       TYR  33   3.244   1.522  -4.337
  215    HA   TYR  33           HA       TYR  33   5.447   0.436  -5.696
  216   1HB   TYR  33          2HB       TYR  33   3.031  -0.133  -5.755
  217   2HB   TYR  33          3HB       TYR  33   2.740   1.416  -6.553
  218    HD1  TYR  33           HD1      TYR  33   3.660   1.649  -8.994
  219    HD2  TYR  33           HD2      TYR  33   3.641  -2.077  -6.810
  220    HE1  TYR  33           HE1      TYR  33   3.855   0.389 -11.111
  221    HE2  TYR  33           HE2      TYR  33   3.808  -3.324  -8.929
  222    HH   TYR  33           HH       TYR  33   4.723  -1.764 -11.843
  223    H    SER  34           HN       SER  34   4.298   3.756  -5.495
  224    HA   SER  34           HA       SER  34   6.121   4.585  -7.698
  225   1HB   SER  34          2HB       SER  34   3.579   5.363  -7.251
  226   2HB   SER  34          3HB       SER  34   4.392   6.552  -6.230
  227    HG   SER  34           HG       SER  34   4.852   5.943  -8.986
  228    H    ASN  35           HN       ASN  35   5.790   4.548  -4.188
  229    HA   ASN  35           HA       ASN  35   7.708   6.816  -3.879
  230   1HB   ASN  35          2HB       ASN  35   5.672   5.504  -2.050
  231   2HB   ASN  35          3HB       ASN  35   6.923   6.577  -1.438
  232   1HD2  ASN  35          2HD2      ASN  35   3.908   8.180  -3.772
  233   2HD2  ASN  35          1HD2      ASN  35   4.311   6.474  -3.874
  234    H    CYS  36           HN       CYS  36   7.668   3.353  -3.509
  235    HA   CYS  36           HA       CYS  36   9.833   3.428  -1.480
  236   1HB   CYS  36          2HB       CYS  36   7.449   2.105  -1.447
  237   2HB   CYS  36          3HB       CYS  36   8.513   0.863  -2.124
  238    HA   PRO  37           HA       PRO  37  12.506   2.083  -4.758
  239   1HB   PRO  37          2HB       PRO  37  14.594   0.912  -3.424
  240   2HB   PRO  37          3HB       PRO  37  14.287   2.671  -3.427
  241   1HG   PRO  37          2HG       PRO  37  13.541   0.657  -1.305
  242   2HG   PRO  37          3HG       PRO  37  14.293   2.269  -1.110
  243   1HD   PRO  37          2HD       PRO  37  11.585   1.771  -0.816
  244   2HD   PRO  37          3HD       PRO  37  12.202   3.354  -1.380
  245    HA   PRO  38           HA       PRO  38  13.983   0.893  -5.957
  246   1HB   PRO  38          2HB       PRO  38  14.403  -0.800  -7.964
  247   2HB   PRO  38          3HB       PRO  38  14.977  -1.190  -6.326
  248   1HG   PRO  38          2HG       PRO  38  12.380  -2.154  -7.598
  249   2HG   PRO  38          3HG       PRO  38  13.665  -3.145  -6.853
  250   1HD   PRO  38          2HD       PRO  38  11.437  -2.284  -5.465
  251   2HD   PRO  38          3HD       PRO  38  13.024  -2.489  -4.684
  252    OH   TYR  39           OH       TYR  39   7.939  -4.137  -5.124
  253    H    TYR  39           HN       TYR  39  10.853   1.049  -5.907
  254    HA   TYR  39           HA       TYR  39  10.162   1.035  -8.758
  255   1HB   TYR  39          2HB       TYR  39   8.327   1.815  -6.510
  256   2HB   TYR  39          3HB       TYR  39   8.005   1.021  -8.064
  257    HD1  TYR  39           HD1      TYR  39   9.633  -1.291  -8.211
  258    HD2  TYR  39           HD2      TYR  39   7.723   0.393  -4.730
  259    HE1  TYR  39           HE1      TYR  39   9.248  -3.570  -7.316
  260    HE2  TYR  39           HE2      TYR  39   7.347  -1.889  -3.840
  261    HH   TYR  39           HH       TYR  39   7.272  -4.123  -4.417
  262    H    VAL  40           HN       VAL  40  10.554   3.281  -6.064
  263    HA   VAL  40           HA       VAL  40   9.777   5.653  -7.543
  264    HB   VAL  40           HB       VAL  40   9.720   5.357  -5.074
  265   1HG1  VAL  40          3HG1      VAL  40  11.891   4.210  -4.770
  266   2HG1  VAL  40          1HG1      VAL  40  12.738   5.705  -5.161
  267   3HG1  VAL  40          2HG1      VAL  40  11.715   5.609  -3.709
  268   1HG2  VAL  40          1HG2      VAL  40   9.620   7.609  -6.097
  269   2HG2  VAL  40          2HG2      VAL  40  10.362   7.619  -4.491
  270   3HG2  VAL  40          3HG2      VAL  40  11.372   7.753  -5.943
   
  Start of MODEL          14
 Raw file had  270 H/Q atoms
  Start of MODEL   14
    1   1H    ASP   1          1HN       ASP   1  -7.401   5.829   6.526
    2   2H    ASP   1          2HN       ASP   1  -8.007   4.802   5.343
    3   3H    ASP   1          3HN       ASP   1  -9.026   5.505   6.446
    4    HA   ASP   1           HA       ASP   1  -8.243   4.287   8.213
    5   1HB   ASP   1          2HB       ASP   1  -9.635   3.125   6.256
    6   2HB   ASP   1          3HB       ASP   1  -8.198   2.126   6.289
    7    H    ALA   2           HN       ALA   2  -6.963   1.976   8.353
    8    HA   ALA   2           HA       ALA   2  -4.251   2.740   8.734
    9   1HB   ALA   2          1HB       ALA   2  -5.350  -0.065   8.459
   10   2HB   ALA   2          2HB       ALA   2  -3.726   0.324   8.996
   11   3HB   ALA   2          3HB       ALA   2  -5.119   0.802   9.989
   12    H    CYS   3           HN       CYS   3  -5.853   1.155   5.945
   13    HA   CYS   3           HA       CYS   3  -3.914   0.496   4.219
   14   1HB   CYS   3          2HB       CYS   3  -6.337   2.265   3.877
   15   2HB   CYS   3          3HB       CYS   3  -5.252   2.011   2.505
   16    H    GLU   4           HN       GLU   4  -4.781   4.001   4.695
   17    HA   GLU   4           HA       GLU   4  -2.633   4.955   3.083
   18   1HB   GLU   4          2HB       GLU   4  -4.561   6.328   3.658
   19   2HB   GLU   4          3HB       GLU   4  -4.150   6.289   5.373
   20   1HG   GLU   4          2HG       GLU   4  -2.798   8.080   5.116
   21   2HG   GLU   4          3HG       GLU   4  -1.826   7.240   3.918
   22    H    GLN   5           HN       GLN   5  -2.810   4.168   6.558
   23    HA   GLN   5           HA       GLN   5  -0.259   5.300   7.202
   24   1HB   GLN   5          2HB       GLN   5  -0.763   4.849   9.301
   25   2HB   GLN   5          3HB       GLN   5  -2.375   4.449   8.696
   26   1HG   GLN   5          2HG       GLN   5  -1.404   1.997   8.568
   27   2HG   GLN   5          3HG       GLN   5  -0.106   2.632   9.580
   28   1HE2  GLN   5          2HE2      GLN   5  -2.751   1.080  11.718
   29   2HE2  GLN   5          1HE2      GLN   5  -1.685   0.549  10.411
   30    H    ALA   6           HN       ALA   6  -1.301   2.164   5.993
   31    HA   ALA   6           HA       ALA   6   1.152   0.724   6.452
   32   1HB   ALA   6          3HB       ALA   6  -1.268   0.378   4.612
   33   2HB   ALA   6          1HB       ALA   6   0.122  -0.660   4.516
   34   3HB   ALA   6          2HB       ALA   6  -0.811  -0.560   6.032
   35    H    ALA   7           HN       ALA   7  -0.284   2.456   3.654
   36    HA   ALA   7           HA       ALA   7   2.053   2.157   2.055
   37   1HB   ALA   7          3HB       ALA   7  -0.426   3.814   1.874
   38   2HB   ALA   7          1HB       ALA   7   0.939   4.034   0.726
   39   3HB   ALA   7          2HB       ALA   7   0.164   2.465   0.886
   40    H    ILE   8           HN       ILE   8   1.174   4.632   4.334
   41    HA   ILE   8           HA       ILE   8   3.288   6.475   3.861
   42    HB   ILE   8           HB       ILE   8   1.336   5.860   5.934
   43   1HG1  ILE   8          2HG1      ILE   8   2.716   8.479   6.127
   44   2HG1  ILE   8          3HG1      ILE   8   2.053   8.074   4.569
   45   1HG2  ILE   8          3HG2      ILE   8   3.170   5.220   7.388
   46   2HG2  ILE   8          1HG2      ILE   8   3.982   6.762   7.033
   47   3HG2  ILE   8          2HG2      ILE   8   2.430   6.744   7.903
   48   1HD1  ILE   8          2HD1      ILE   8   0.473   7.990   7.169
   49   2HD1  ILE   8          3HD1      ILE   8   0.420   9.310   5.980
   50   3HD1  ILE   8          1HD1      ILE   8  -0.172   7.697   5.543
   51    H    GLN   9           HN       GLN   9   3.244   3.287   5.383
   52    HA   GLN   9           HA       GLN   9   5.885   3.652   6.520
   53   1HB   GLN   9          2HB       GLN   9   3.925   2.272   7.476
   54   2HB   GLN   9          3HB       GLN   9   4.275   1.078   6.285
   55   1HG   GLN   9          2HG       GLN   9   5.242   0.620   8.496
   56   2HG   GLN   9          3HG       GLN   9   6.477   0.648   7.220
   57   1HE2  GLN   9          2HE2      GLN   9   6.338   3.978   9.707
   58   2HE2  GLN   9          1HE2      GLN   9   4.833   3.295   9.104
   59    H    CYS  10           HN       CYS  10   4.731   2.847   3.359
   60    HA   CYS  10           HA       CYS  10   5.903   2.478   1.485
   61   1HB   CYS  10          2HB       CYS  10   7.524   3.987   2.839
   62   2HB   CYS  10          3HB       CYS  10   8.521   2.542   3.032
   63    H    VAL  11           HN       VAL  11   4.687   0.383   2.480
   64    HA   VAL  11           HA       VAL  11   6.483  -1.900   2.040
   65    HB   VAL  11           HB       VAL  11   4.576  -2.602   4.027
   66   1HG1  VAL  11          2HG1      VAL  11   7.594  -2.410   4.040
   67   2HG1  VAL  11          3HG1      VAL  11   6.632  -3.261   5.251
   68   3HG1  VAL  11          1HG1      VAL  11   6.613  -3.824   3.585
   69   1HG2  VAL  11          3HG2      VAL  11   4.626  -0.242   4.642
   70   2HG2  VAL  11          1HG2      VAL  11   5.325  -1.290   5.895
   71   3HG2  VAL  11          2HG2      VAL  11   6.412  -0.370   4.841
   72    H    GLU  12           HN       GLU  12   5.559  -2.960   0.307
   73    HA   GLU  12           HA       GLU  12   2.732  -2.957  -0.414
   74   1HB   GLU  12          2HB       GLU  12   4.985  -4.951  -0.890
   75   2HB   GLU  12          3HB       GLU  12   3.332  -5.220  -1.396
   76   1HG   GLU  12          2HG       GLU  12   3.407  -3.292  -2.921
   77   2HG   GLU  12          3HG       GLU  12   5.089  -2.974  -2.458
   78    H    SER  13           HN       SER  13   4.933  -4.875   1.485
   79    HA   SER  13           HA       SER  13   2.850  -6.450   2.736
   80   1HB   SER  13          2HB       SER  13   5.807  -6.140   3.385
   81   2HB   SER  13          3HB       SER  13   4.731  -7.284   4.186
   82    HG   SER  13           HG       SER  13   4.322  -8.275   2.188
   83    H    ALA  14           HN       ALA  14   2.281  -3.781   2.965
   84    HA   ALA  14           HA       ALA  14   1.367  -4.102   5.724
   85   1HB   ALA  14          2HB       ALA  14   3.039  -2.287   5.880
   86   2HB   ALA  14          3HB       ALA  14   2.231  -1.406   4.577
   87   3HB   ALA  14          1HB       ALA  14   1.406  -1.700   6.138
   88    H    CYS  15           HN       CYS  15   1.026  -2.474   2.423
   89    HA   CYS  15           HA       CYS  15  -1.798  -1.946   2.800
   90   1HB   CYS  15          2HB       CYS  15  -0.056  -2.535   0.317
   91   2HB   CYS  15          3HB       CYS  15  -1.744  -2.024   0.230
   92    H    GLU  16           HN       GLU  16   0.041  -4.797   1.531
   93    HA   GLU  16           HA       GLU  16  -2.275  -6.055   0.484
   94   1HB   GLU  16          2HB       GLU  16  -0.930  -8.038   0.367
   95   2HB   GLU  16          3HB       GLU  16  -0.015  -6.616  -0.145
   96   1HG   GLU  16          2HG       GLU  16   1.623  -7.410   1.111
   97   2HG   GLU  16          3HG       GLU  16   0.741  -6.740   2.487
   98    H    SER  17           HN       SER  17  -0.726  -6.233   3.688
   99    HA   SER  17           HA       SER  17  -2.403  -8.221   4.771
  100   1HB   SER  17          2HB       SER  17  -1.113  -6.117   6.495
  101   2HB   SER  17          3HB       SER  17  -1.145  -7.888   6.664
  102    HG   SER  17           HG       SER  17   0.215  -7.794   4.640
  103    H    LEU  18           HN       LEU  18  -2.510  -4.660   4.820
  104    HA   LEU  18           HA       LEU  18  -4.858  -4.510   6.542
  105   1HB   LEU  18          2HB       LEU  18  -3.176  -2.569   4.883
  106   2HB   LEU  18          3HB       LEU  18  -4.769  -2.079   5.422
  107    HG   LEU  18           HG       LEU  18  -3.192  -1.193   6.789
  108   1HD1  LEU  18          2HD1      LEU  18  -5.438  -2.158   7.753
  109   2HD1  LEU  18          3HD1      LEU  18  -4.494  -3.513   8.380
  110   3HD1  LEU  18          1HD1      LEU  18  -4.180  -1.914   9.000
  111   1HD2  LEU  18          2HD2      LEU  18  -2.239  -3.945   7.611
  112   2HD2  LEU  18          3HD2      LEU  18  -1.293  -2.622   6.863
  113   3HD2  LEU  18          1HD2      LEU  18  -1.918  -2.450   8.510
  114    H    CYS  19           HN       CYS  19  -4.305  -3.636   3.122
  115    HA   CYS  19           HA       CYS  19  -7.005  -2.800   2.992
  116   1HB   CYS  19          2HB       CYS  19  -4.873  -2.946   0.843
  117   2HB   CYS  19          3HB       CYS  19  -6.480  -2.176   0.645
  118    H    THR  20           HN       THR  20  -8.647  -3.950   1.731
  119    HA   THR  20           HA       THR  20  -8.273  -6.739   1.872
  120    HB   THR  20           HB       THR  20 -10.531  -5.350   0.378
  121    HG1  THR  20          1HG       THR  20 -10.849  -4.844   2.433
  122   1HG2  THR  20          3HG2      THR  20 -10.089  -8.205   1.344
  123   2HG2  THR  20          1HG2      THR  20 -11.636  -7.565   0.723
  124   3HG2  THR  20          2HG2      THR  20 -10.249  -7.699  -0.341
  125    H    GLU  21           HN       GLU  21  -9.051  -5.127  -1.218
  126    HA   GLU  21           HA       GLU  21  -7.295  -5.723  -3.094
  127   1HB   GLU  21          2HB       GLU  21  -6.939  -7.993  -2.506
  128   2HB   GLU  21          3HB       GLU  21  -8.667  -8.307  -2.299
  129   1HG   GLU  21          2HG       GLU  21  -7.351  -7.633  -4.977
  130   2HG   GLU  21          3HG       GLU  21  -7.531  -9.283  -4.355
  131    H    GLY  22           HN       GLY  22  -8.221  -4.878  -4.861
  132   1HA   GLY  22          1HA       GLY  22 -10.188  -5.392  -6.440
  133   2HA   GLY  22          2HA       GLY  22 -11.160  -4.629  -5.154
  134    H    GLU  23           HN       GLU  23  -9.634  -2.832  -4.162
  135    HA   GLU  23           HA       GLU  23  -8.458  -0.927  -6.045
  136   1HB   GLU  23          2HB       GLU  23 -10.167   0.785  -5.579
  137   2HB   GLU  23          3HB       GLU  23 -10.660  -0.496  -6.700
  138   1HG   GLU  23          2HG       GLU  23 -12.043  -1.569  -5.028
  139   2HG   GLU  23          3HG       GLU  23 -11.407  -0.529  -3.744
  140    H    ASP  24           HN       ASP  24  -9.743  -1.682  -2.832
  141    HA   ASP  24           HA       ASP  24  -8.694   0.375  -1.308
  142   1HB   ASP  24          2HB       ASP  24 -10.045  -1.714  -0.576
  143   2HB   ASP  24          3HB       ASP  24  -8.569  -2.618  -0.550
  144    NH1  ARG  25           NH2      ARG  25  -4.432  -9.035  -1.663
  145    NH2  ARG  25           NH1      ARG  25  -4.586  -8.899   0.641
  146    H    ARG  25           HN       ARG  25  -7.190  -2.751  -2.099
  147    HA   ARG  25           HA       ARG  25  -4.578  -2.096  -1.233
  148   1HB   ARG  25          2HB       ARG  25  -5.504  -4.026  -3.429
  149   2HB   ARG  25          3HB       ARG  25  -3.794  -3.759  -3.051
  150   1HG   ARG  25          2HG       ARG  25  -4.176  -4.351  -0.694
  151   2HG   ARG  25          3HG       ARG  25  -5.881  -4.682  -1.060
  152   1HD   ARG  25          2HD       ARG  25  -5.126  -6.516  -2.593
  153   2HD   ARG  25          3HD       ARG  25  -3.440  -6.158  -2.167
  154    HE   ARG  25           HE       ARG  25  -4.933  -6.500   0.228
  155   1HH1  ARG  25          2HH2      ARG  25  -4.278  -8.596  -2.570
  156   2HH1  ARG  25          1HH2      ARG  25  -4.584 -10.047  -1.650
  157   1HH2  ARG  25          2HH1      ARG  25  -4.482  -8.351   1.498
  158   2HH2  ARG  25          1HH1      ARG  25  -4.751  -9.899   0.742
  159    H    THR  26           HN       THR  26  -5.900  -1.921  -4.628
  160    HA   THR  26           HA       THR  26  -3.776  -0.988  -5.890
  161    HB   THR  26           HB       THR  26  -6.489   0.266  -6.365
  162    HG1  THR  26          1HG       THR  26  -5.701  -2.359  -7.159
  163   1HG2  THR  26          2HG2      THR  26  -4.657   0.935  -7.837
  164   2HG2  THR  26          3HG2      THR  26  -4.306  -0.757  -8.232
  165   3HG2  THR  26          1HG2      THR  26  -5.841  -0.018  -8.736
  166    H    GLY  27           HN       GLY  27  -6.043   1.341  -4.232
  167   1HA   GLY  27          1HA       GLY  27  -4.599   3.668  -5.000
  168   2HA   GLY  27          2HA       GLY  27  -5.684   3.541  -3.605
  169    H    CYS  28           HN       CYS  28  -4.260   1.529  -2.186
  170    HA   CYS  28           HA       CYS  28  -2.332   3.133  -0.700
  171   1HB   CYS  28          2HB       CYS  28  -3.961   1.437   0.159
  172   2HB   CYS  28          3HB       CYS  28  -3.067   0.151  -0.620
  173    OH   TYR  29           OH       TYR  29   1.596  -6.081  -3.127
  174    H    TYR  29           HN       TYR  29  -2.296   0.523  -2.991
  175    HA   TYR  29           HA       TYR  29   0.451  -0.260  -2.664
  176   1HB   TYR  29          2HB       TYR  29  -1.891  -1.271  -3.959
  177   2HB   TYR  29          3HB       TYR  29  -0.833  -0.875  -5.276
  178    HD1  TYR  29           HD2      TYR  29  -1.012  -2.560  -1.994
  179    HD2  TYR  29           HD1      TYR  29   0.734  -2.604  -5.926
  180    HE1  TYR  29           HE2      TYR  29  -0.007  -4.772  -1.507
  181    HE2  TYR  29           HE1      TYR  29   1.725  -4.827  -5.446
  182    HH   TYR  29           HH       TYR  29   2.480  -6.006  -3.527
  183    H    MET  30           HN       MET  30  -1.288   1.589  -5.155
  184    HA   MET  30           HA       MET  30   0.672   2.339  -6.940
  185   1HB   MET  30          2HB       MET  30  -1.596   3.981  -5.767
  186   2HB   MET  30          3HB       MET  30  -0.647   4.446  -7.192
  187   1HG   MET  30          2HG       MET  30  -1.739   1.743  -7.473
  188   2HG   MET  30          3HG       MET  30  -2.991   2.966  -7.188
  189   1HE   MET  30          1HE       MET  30  -2.789   1.098  -9.747
  190   2HE   MET  30          2HE       MET  30  -4.105   2.285  -9.520
  191   3HE   MET  30          3HE       MET  30  -3.185   2.262 -11.027
  192    OH   TYR  31           OH       TYR  31   4.554   8.633   0.990
  193    H    TYR  31           HN       TYR  31   0.045   3.756  -3.716
  194    HA   TYR  31           HA       TYR  31   1.886   5.925  -3.948
  195   1HB   TYR  31          2HB       TYR  31   0.189   5.792  -2.200
  196   2HB   TYR  31          3HB       TYR  31   0.920   4.360  -1.512
  197    HD1  TYR  31           HD1      TYR  31   3.342   4.557  -0.497
  198    HD2  TYR  31           HD2      TYR  31   0.697   7.862  -1.244
  199    HE1  TYR  31           HE1      TYR  31   4.888   6.037   0.691
  200    HE2  TYR  31           HE2      TYR  31   2.054   9.232   0.316
  201    HH   TYR  31           HH       TYR  31   4.218   9.541   1.035
  202    H    ILE  32           HN       ILE  32   2.398   2.798  -2.239
  203    HA   ILE  32           HA       ILE  32   5.175   3.091  -1.752
  204    HB   ILE  32           HB       ILE  32   3.357   0.711  -2.250
  205   1HG1  ILE  32          2HG1      ILE  32   4.836   1.192   0.279
  206   2HG1  ILE  32          3HG1      ILE  32   3.563   2.377  -0.066
  207   1HG2  ILE  32          2HG2      ILE  32   6.268   0.523  -1.366
  208   2HG2  ILE  32          3HG2      ILE  32   5.092  -0.782  -1.324
  209   3HG2  ILE  32          1HG2      ILE  32   5.589  -0.125  -2.878
  210   1HD1  ILE  32          1HD1      ILE  32   3.127  -0.606  -0.210
  211   2HD1  ILE  32          2HD1      ILE  32   2.843   0.372   1.252
  212   3HD1  ILE  32          3HD1      ILE  32   1.946   0.717  -0.260
  213    OH   TYR  33           OH       TYR  33   3.125  -1.677 -11.607
  214    H    TYR  33           HN       TYR  33   3.429   1.686  -4.433
  215    HA   TYR  33           HA       TYR  33   5.552   0.689  -5.938
  216   1HB   TYR  33          2HB       TYR  33   3.131   0.192  -6.027
  217   2HB   TYR  33          3HB       TYR  33   2.854   1.803  -6.685
  218    HD1  TYR  33           HD2      TYR  33   4.160  -1.606  -7.190
  219    HD2  TYR  33           HD1      TYR  33   3.412   2.152  -9.177
  220    HE1  TYR  33           HE2      TYR  33   3.859  -2.804  -9.331
  221    HE2  TYR  33           HE1      TYR  33   3.141   0.936 -11.327
  222    HH   TYR  33           HH       TYR  33   2.995  -2.631 -11.483
  223    H    SER  34           HN       SER  34   4.426   4.029  -5.583
  224    HA   SER  34           HA       SER  34   6.383   4.944  -7.655
  225   1HB   SER  34          2HB       SER  34   3.977   6.280  -6.364
  226   2HB   SER  34          3HB       SER  34   5.106   7.036  -7.481
  227    HG   SER  34           HG       SER  34   4.576   5.259  -8.970
  228    H    ASN  35           HN       ASN  35   6.217   4.505  -4.345
  229    HA   ASN  35           HA       ASN  35   7.996   6.877  -3.783
  230   1HB   ASN  35          2HB       ASN  35   5.828   5.506  -2.120
  231   2HB   ASN  35          3HB       ASN  35   7.067   6.488  -1.384
  232   1HD2  ASN  35          2HD2      ASN  35   4.241   8.370  -3.797
  233   2HD2  ASN  35          1HD2      ASN  35   4.593   6.659  -3.940
  234    H    CYS  36           HN       CYS  36   7.977   3.436  -3.725
  235    HA   CYS  36           HA       CYS  36  10.211   3.444  -1.732
  236   1HB   CYS  36          2HB       CYS  36   7.733   2.092  -1.649
  237   2HB   CYS  36          3HB       CYS  36   8.931   0.866  -2.114
  238    HA   PRO  37           HA       PRO  37  12.421   1.553  -5.183
  239   1HB   PRO  37          2HB       PRO  37  14.649   0.625  -3.944
  240   2HB   PRO  37          3HB       PRO  37  14.368   2.377  -4.200
  241   1HG   PRO  37          2HG       PRO  37  13.872   0.768  -1.709
  242   2HG   PRO  37          3HG       PRO  37  14.699   2.334  -1.860
  243   1HD   PRO  37          2HD       PRO  37  12.013   2.052  -1.171
  244   2HD   PRO  37          3HD       PRO  37  12.624   3.493  -2.038
  245    HA   PRO  38           HA       PRO  38  13.755  -0.239  -6.167
  246   1HB   PRO  38          2HB       PRO  38  13.279  -2.302  -7.846
  247   2HB   PRO  38          3HB       PRO  38  14.205  -2.536  -6.338
  248   1HG   PRO  38          2HG       PRO  38  11.233  -3.030  -6.744
  249   2HG   PRO  38          3HG       PRO  38  12.458  -4.177  -6.122
  250   1HD   PRO  38          2HD       PRO  38  10.919  -2.647  -4.441
  251   2HD   PRO  38          3HD       PRO  38  12.625  -2.960  -4.057
  252    OH   TYR  39           OH       TYR  39   8.604  -4.160  -3.556
  253    H    TYR  39           HN       TYR  39  10.456   0.057  -5.710
  254    HA   TYR  39           HA       TYR  39   9.551   0.041  -8.411
  255   1HB   TYR  39          2HB       TYR  39   8.007   1.317  -6.159
  256   2HB   TYR  39          3HB       TYR  39   7.453   0.420  -7.558
  257    HD1  TYR  39           HD1      TYR  39   8.194  -2.161  -7.613
  258    HD2  TYR  39           HD2      TYR  39   7.913   0.286  -4.084
  259    HE1  TYR  39           HE1      TYR  39   8.284  -4.185  -6.196
  260    HE2  TYR  39           HE2      TYR  39   8.131  -1.738  -2.662
  261    HH   TYR  39           HH       TYR  39   8.742  -4.938  -4.116
  262    H    VAL  40           HN       VAL  40   9.175   2.852  -6.251
  263    HA   VAL  40           HA       VAL  40   8.705   4.968  -7.082
  264    HB   VAL  40           HB       VAL  40  10.883   6.239  -7.280
  265   1HG1  VAL  40          3HG1      VAL  40   9.711   6.085  -5.196
  266   2HG1  VAL  40          1HG1      VAL  40  10.488   4.516  -4.853
  267   3HG1  VAL  40          2HG1      VAL  40  11.458   5.995  -4.936
  268   1HG2  VAL  40          3HG2      VAL  40  12.292   4.330  -8.091
  269   2HG2  VAL  40          1HG2      VAL  40  12.917   5.082  -6.603
  270   3HG2  VAL  40          2HG2      VAL  40  12.065   3.532  -6.513
   
  Start of MODEL          15
 Raw file had  270 H/Q atoms
  Start of MODEL   15
    1   1H    ASP   1          1HN       ASP   1  -9.128   0.978   9.767
    2   2H    ASP   1          2HN       ASP   1  -8.964   2.165  10.921
    3   3H    ASP   1          3HN       ASP   1 -10.041   2.347   9.664
    4    HA   ASP   1           HA       ASP   1  -8.390   2.273   8.062
    5   1HB   ASP   1          2HB       ASP   1  -7.144   4.300   8.319
    6   2HB   ASP   1          3HB       ASP   1  -8.714   4.554   9.007
    7    H    ALA   2           HN       ALA   2  -6.272   2.375   7.529
    8    HA   ALA   2           HA       ALA   2  -3.999   2.148   9.155
    9   1HB   ALA   2          3HB       ALA   2  -4.856  -0.206   9.591
   10   2HB   ALA   2          1HB       ALA   2  -4.827  -0.445   7.834
   11   3HB   ALA   2          2HB       ALA   2  -3.305  -0.136   8.738
   12    H    CYS   3           HN       CYS   3  -5.524   1.353   6.035
   13    HA   CYS   3           HA       CYS   3  -3.564   0.382   4.531
   14   1HB   CYS   3          2HB       CYS   3  -5.720   2.409   3.813
   15   2HB   CYS   3          3HB       CYS   3  -4.579   1.890   2.584
   16    H    GLU   4           HN       GLU   4  -4.317   3.859   4.787
   17    HA   GLU   4           HA       GLU   4  -2.332   4.854   3.061
   18   1HB   GLU   4          2HB       GLU   4  -3.634   6.249   5.459
   19   2HB   GLU   4          3HB       GLU   4  -2.911   7.018   4.037
   20   1HG   GLU   4          2HG       GLU   4  -4.651   6.018   2.588
   21   2HG   GLU   4          3HG       GLU   4  -5.406   5.207   3.969
   22    H    GLN   5           HN       GLN   5  -2.292   4.323   6.586
   23    HA   GLN   5           HA       GLN   5   0.353   5.413   7.030
   24   1HB   GLN   5          2HB       GLN   5  -1.145   5.311   8.861
   25   2HB   GLN   5          3HB       GLN   5  -1.392   3.577   8.702
   26   1HG   GLN   5          2HG       GLN   5   1.352   4.812   9.280
   27   2HG   GLN   5          3HG       GLN   5   0.189   4.424  10.549
   28   1HE2  GLN   5          2HE2      GLN   5   0.387   0.805   9.951
   29   2HE2  GLN   5          1HE2      GLN   5  -0.851   2.044  10.038
   30    H    ALA   6           HN       ALA   6  -0.977   2.098   6.329
   31    HA   ALA   6           HA       ALA   6   1.487   0.711   6.595
   32   1HB   ALA   6          3HB       ALA   6  -1.064   0.268   5.007
   33   2HB   ALA   6          1HB       ALA   6   0.317  -0.777   4.771
   34   3HB   ALA   6          2HB       ALA   6  -0.432  -0.620   6.384
   35    H    ALA   7           HN       ALA   7   0.082   2.532   3.874
   36    HA   ALA   7           HA       ALA   7   2.330   1.920   2.216
   37   1HB   ALA   7          2HB       ALA   7  -0.280   2.839   1.828
   38   2HB   ALA   7          3HB       ALA   7   0.748   4.120   1.178
   39   3HB   ALA   7          1HB       ALA   7   0.945   2.467   0.601
   40    H    ILE   8           HN       ILE   8   1.573   4.699   4.176
   41    HA   ILE   8           HA       ILE   8   3.767   6.369   3.489
   42    HB   ILE   8           HB       ILE   8   1.727   6.203   5.524
   43   1HG1  ILE   8          2HG1      ILE   8   3.039   8.649   5.855
   44   2HG1  ILE   8          3HG1      ILE   8   3.213   8.298   4.139
   45   1HG2  ILE   8          1HG2      ILE   8   4.415   6.789   6.764
   46   2HG2  ILE   8          2HG2      ILE   8   2.831   7.067   7.504
   47   3HG2  ILE   8          3HG2      ILE   8   3.350   5.428   7.156
   48   1HD1  ILE   8          1HD1      ILE   8   0.512   8.060   5.503
   49   2HD1  ILE   8          2HD1      ILE   8   1.144   9.626   4.980
   50   3HD1  ILE   8          3HD1      ILE   8   0.872   8.355   3.797
   51    H    GLN   9           HN       GLN   9   3.488   3.532   5.592
   52    HA   GLN   9           HA       GLN   9   6.141   3.750   6.643
   53   1HB   GLN   9          2HB       GLN   9   4.002   2.496   7.551
   54   2HB   GLN   9          3HB       GLN   9   4.459   1.255   6.423
   55   1HG   GLN   9          2HG       GLN   9   6.789   1.331   7.600
   56   2HG   GLN   9          3HG       GLN   9   5.955   2.243   8.838
   57   1HE2  GLN   9          2HE2      GLN   9   3.800  -0.690   9.609
   58   2HE2  GLN   9          1HE2      GLN   9   3.476   0.973   9.099
   59    H    CYS  10           HN       CYS  10   5.093   2.972   3.463
   60    HA   CYS  10           HA       CYS  10   5.867   1.819   1.752
   61   1HB   CYS  10          2HB       CYS  10   7.702   3.273   1.723
   62   2HB   CYS  10          3HB       CYS  10   8.555   2.422   3.018
   63    H    VAL  11           HN       VAL  11   4.531   0.182   3.152
   64    HA   VAL  11           HA       VAL  11   6.105  -2.256   2.751
   65    HB   VAL  11           HB       VAL  11   4.098  -2.863   4.552
   66   1HG1  VAL  11          2HG1      VAL  11   6.146  -4.151   4.177
   67   2HG1  VAL  11          3HG1      VAL  11   7.105  -2.818   4.869
   68   3HG1  VAL  11          1HG1      VAL  11   5.968  -3.735   5.888
   69   1HG2  VAL  11          3HG2      VAL  11   5.974  -0.708   5.562
   70   2HG2  VAL  11          1HG2      VAL  11   4.185  -0.617   5.380
   71   3HG2  VAL  11          2HG2      VAL  11   4.904  -1.734   6.560
   72    H    GLU  12           HN       GLU  12   5.252  -2.917   0.853
   73    HA   GLU  12           HA       GLU  12   2.457  -2.700  -0.056
   74   1HB   GLU  12          2HB       GLU  12   4.787  -4.538  -0.718
   75   2HB   GLU  12          3HB       GLU  12   3.191  -4.782  -1.376
   76   1HG   GLU  12          2HG       GLU  12   3.272  -2.643  -2.553
   77   2HG   GLU  12          3HG       GLU  12   4.874  -2.306  -1.878
   78    H    SER  13           HN       SER  13   4.615  -4.845   1.630
   79    HA   SER  13           HA       SER  13   2.534  -6.675   2.269
   80   1HB   SER  13          2HB       SER  13   5.181  -7.013   1.962
   81   2HB   SER  13          3HB       SER  13   5.214  -6.725   3.709
   82    HG   SER  13           HG       SER  13   3.585  -8.672   2.404
   83    H    ALA  14           HN       ALA  14   2.202  -3.946   3.241
   84    HA   ALA  14           HA       ALA  14   1.116  -4.875   5.852
   85   1HB   ALA  14          3HB       ALA  14   1.994  -2.054   5.102
   86   2HB   ALA  14          1HB       ALA  14   0.957  -2.476   6.491
   87   3HB   ALA  14          2HB       ALA  14   2.615  -3.067   6.408
   88    H    CYS  15           HN       CYS  15   0.688  -2.735   2.835
   89    HA   CYS  15           HA       CYS  15  -2.137  -2.578   3.288
   90   1HB   CYS  15          2HB       CYS  15  -0.282  -2.181   0.966
   91   2HB   CYS  15          3HB       CYS  15  -2.029  -2.223   0.706
   92    H    GLU  16           HN       GLU  16  -0.250  -5.130   1.768
   93    HA   GLU  16           HA       GLU  16  -2.156  -6.514   0.403
   94   1HB   GLU  16          2HB       GLU  16  -0.879  -8.497   0.798
   95   2HB   GLU  16          3HB       GLU  16   0.210  -7.100   0.685
   96   1HG   GLU  16          2HG       GLU  16   0.429  -7.098   3.179
   97   2HG   GLU  16          3HG       GLU  16  -0.624  -8.525   3.246
   98    H    SER  17           HN       SER  17  -1.683  -6.688   3.913
   99    HA   SER  17           HA       SER  17  -4.131  -8.289   4.298
  100   1HB   SER  17          2HB       SER  17  -1.705  -7.628   5.907
  101   2HB   SER  17          3HB       SER  17  -3.210  -7.649   6.817
  102    HG   SER  17           HG       SER  17  -2.567  -9.709   4.963
  103    H    LEU  18           HN       LEU  18  -2.971  -4.954   4.995
  104    HA   LEU  18           HA       LEU  18  -5.227  -4.463   6.712
  105   1HB   LEU  18          2HB       LEU  18  -3.199  -2.696   5.264
  106   2HB   LEU  18          3HB       LEU  18  -4.590  -1.972   6.043
  107    HG   LEU  18           HG       LEU  18  -2.799  -1.771   7.419
  108   1HD1  LEU  18          1HD1      LEU  18  -5.147  -2.561   8.395
  109   2HD1  LEU  18          2HD1      LEU  18  -4.325  -4.085   8.735
  110   3HD1  LEU  18          3HD1      LEU  18  -3.752  -2.597   9.494
  111   1HD2  LEU  18          3HD2      LEU  18  -2.355  -4.766   7.241
  112   2HD2  LEU  18          1HD2      LEU  18  -1.215  -3.421   6.948
  113   3HD2  LEU  18          2HD2      LEU  18  -1.741  -3.806   8.586
  114    H    CYS  19           HN       CYS  19  -4.607  -3.809   3.272
  115    HA   CYS  19           HA       CYS  19  -7.111  -2.307   3.036
  116   1HB   CYS  19          2HB       CYS  19  -5.070  -3.074   0.965
  117   2HB   CYS  19          3HB       CYS  19  -6.478  -1.993   0.745
  118    H    THR  20           HN       THR  20  -8.382  -3.228   0.873
  119    HA   THR  20           HA       THR  20  -9.034  -6.031   1.161
  120    HB   THR  20           HB       THR  20 -10.816  -4.801   0.771
  121    HG1  THR  20          1HG       THR  20 -11.120  -6.617  -0.272
  122   1HG2  THR  20          3HG2      THR  20  -9.055  -3.692  -1.353
  123   2HG2  THR  20          1HG2      THR  20 -10.850  -3.675  -1.536
  124   3HG2  THR  20          2HG2      THR  20 -10.094  -2.931  -0.089
  125    H    GLU  21           HN       GLU  21  -9.151  -6.021  -1.858
  126    HA   GLU  21           HA       GLU  21  -6.526  -5.901  -3.004
  127   1HB   GLU  21          2HB       GLU  21  -6.455  -8.150  -1.887
  128   2HB   GLU  21          3HB       GLU  21  -7.818  -8.644  -2.856
  129   1HG   GLU  21          2HG       GLU  21  -6.541  -8.328  -4.934
  130   2HG   GLU  21          3HG       GLU  21  -5.194  -7.602  -4.049
  131    H    GLY  22           HN       GLY  22  -7.220  -4.691  -4.731
  132   1HA   GLY  22          1HA       GLY  22  -8.427  -4.277  -6.644
  133   2HA   GLY  22          2HA       GLY  22  -9.656  -5.462  -6.222
  134    H    GLU  23           HN       GLU  23  -8.260  -2.387  -5.167
  135    HA   GLU  23           HA       GLU  23  -9.696  -0.518  -5.835
  136   1HB   GLU  23          2HB       GLU  23 -11.316  -1.789  -3.603
  137   2HB   GLU  23          3HB       GLU  23 -11.295  -0.047  -3.795
  138   1HG   GLU  23          2HG       GLU  23 -12.194  -1.945  -6.014
  139   2HG   GLU  23          3HG       GLU  23 -13.262  -1.094  -4.891
  140    H    ASP  24           HN       ASP  24  -9.495  -1.512  -2.485
  141    HA   ASP  24           HA       ASP  24  -8.441   1.032  -1.633
  142   1HB   ASP  24          2HB       ASP  24  -9.881  -0.711  -0.316
  143   2HB   ASP  24          3HB       ASP  24  -8.394  -1.530   0.015
  144    NH1  ARG  25           NH2      ARG  25  -2.948  -8.394  -2.275
  145    NH2  ARG  25           NH1      ARG  25  -4.256  -8.754  -0.399
  146    H    ARG  25           HN       ARG  25  -7.121  -2.326  -1.530
  147    HA   ARG  25           HA       ARG  25  -4.558  -1.892  -1.112
  148   1HB   ARG  25          2HB       ARG  25  -6.164  -3.992  -2.080
  149   2HB   ARG  25          3HB       ARG  25  -5.051  -3.709  -3.437
  150   1HG   ARG  25          2HG       ARG  25  -3.259  -3.596  -1.549
  151   2HG   ARG  25          3HG       ARG  25  -4.484  -4.370  -0.578
  152   1HD   ARG  25          2HD       ARG  25  -3.933  -5.707  -3.219
  153   2HD   ARG  25          3HD       ARG  25  -2.540  -5.641  -2.125
  154    HE   ARG  25           HE       ARG  25  -4.894  -6.324  -0.710
  155   1HH1  ARG  25          2HH2      ARG  25  -2.598  -7.805  -3.035
  156   2HH1  ARG  25          1HH2      ARG  25  -2.675  -9.375  -2.264
  157   1HH2  ARG  25          2HH1      ARG  25  -4.678  -8.340   0.427
  158   2HH2  ARG  25          1HH1      ARG  25  -4.030  -9.748  -0.355
  159    H    THR  26           HN       THR  26  -6.321  -1.512  -4.260
  160    HA   THR  26           HA       THR  26  -4.085  -1.135  -5.819
  161    HB   THR  26           HB       THR  26  -6.702   0.370  -6.321
  162    HG1  THR  26          1HG       THR  26  -6.222  -2.422  -6.202
  163   1HG2  THR  26          1HG2      THR  26  -4.915  -1.332  -8.107
  164   2HG2  THR  26          2HG2      THR  26  -6.407  -0.489  -8.589
  165   3HG2  THR  26          3HG2      THR  26  -4.986   0.443  -8.086
  166    H    GLY  27           HN       GLY  27  -6.107   1.526  -4.403
  167   1HA   GLY  27          1HA       GLY  27  -4.430   3.666  -5.146
  168   2HA   GLY  27          2HA       GLY  27  -5.487   3.652  -3.723
  169    H    CYS  28           HN       CYS  28  -4.283   1.592  -2.213
  170    HA   CYS  28           HA       CYS  28  -2.102   2.956  -0.979
  171   1HB   CYS  28          2HB       CYS  28  -3.291   1.337   0.318
  172   2HB   CYS  28          3HB       CYS  28  -2.940   0.030  -0.810
  173    OH   TYR  29           OH       TYR  29   1.685  -6.744  -2.772
  174    H    TYR  29           HN       TYR  29  -1.984  -0.064  -2.812
  175    HA   TYR  29           HA       TYR  29   0.748  -0.503  -2.520
  176   1HB   TYR  29          2HB       TYR  29  -1.532  -1.826  -3.720
  177   2HB   TYR  29          3HB       TYR  29  -0.431  -1.556  -5.010
  178    HD1  TYR  29           HD2      TYR  29  -0.919  -3.143  -1.723
  179    HD2  TYR  29           HD1      TYR  29   1.712  -2.876  -5.125
  180    HE1  TYR  29           HE2      TYR  29  -0.080  -5.427  -1.244
  181    HE2  TYR  29           HE1      TYR  29   2.529  -5.157  -4.624
  182    HH   TYR  29           HH       TYR  29   1.301  -7.230  -2.027
  183    H    MET  30           HN       MET  30  -1.166   0.945  -5.168
  184    HA   MET  30           HA       MET  30   0.890   1.557  -6.941
  185   1HB   MET  30          2HB       MET  30  -1.708   3.000  -6.372
  186   2HB   MET  30          3HB       MET  30  -0.708   3.341  -7.777
  187   1HG   MET  30          2HG       MET  30  -1.655   0.504  -7.283
  188   2HG   MET  30          3HG       MET  30  -2.741   1.716  -7.954
  189   1HE   MET  30          1HE       MET  30   0.634  -0.167  -8.459
  190   2HE   MET  30          2HE       MET  30   0.950   0.079 -10.183
  191   3HE   MET  30          3HE       MET  30   1.146   1.441  -9.073
  192    OH   TYR  31           OH       TYR  31   3.809   9.388  -0.117
  193    H    TYR  31           HN       TYR  31   0.031   3.212  -3.925
  194    HA   TYR  31           HA       TYR  31   1.519   5.617  -4.427
  195   1HB   TYR  31          2HB       TYR  31  -0.120   5.271  -2.463
  196   2HB   TYR  31          3HB       TYR  31   1.065   4.235  -1.728
  197    HD1  TYR  31           HD2      TYR  31   0.740   7.703  -3.033
  198    HD2  TYR  31           HD1      TYR  31   2.683   5.015  -0.278
  199    HE1  TYR  31           HE2      TYR  31   2.010   9.596  -2.074
  200    HE2  TYR  31           HE1      TYR  31   3.756   6.946   0.825
  201    HH   TYR  31           HH       TYR  31   3.872  10.100  -0.775
  202    H    ILE  32           HN       ILE  32   2.299   2.749  -2.514
  203    HA   ILE  32           HA       ILE  32   4.987   3.383  -1.869
  204    HB   ILE  32           HB       ILE  32   3.884   0.577  -2.391
  205   1HG1  ILE  32          2HG1      ILE  32   3.505   2.368   0.038
  206   2HG1  ILE  32          3HG1      ILE  32   2.261   1.641  -1.008
  207   1HG2  ILE  32          2HG2      ILE  32   6.326   0.721  -2.045
  208   2HG2  ILE  32          3HG2      ILE  32   6.060   1.596  -0.527
  209   3HG2  ILE  32          1HG2      ILE  32   5.556  -0.101  -0.700
  210   1HD1  ILE  32          3HD1      ILE  32   3.193  -0.613  -0.377
  211   2HD1  ILE  32          1HD1      ILE  32   4.010   0.243   0.961
  212   3HD1  ILE  32          2HD1      ILE  32   2.236   0.234   0.844
  213    OH   TYR  33           OH       TYR  33   4.340  -2.302 -11.387
  214    H    TYR  33           HN       TYR  33   3.541   1.536  -4.456
  215    HA   TYR  33           HA       TYR  33   5.771   0.628  -5.796
  216   1HB   TYR  33          2HB       TYR  33   3.432  -0.123  -5.932
  217   2HB   TYR  33          3HB       TYR  33   3.027   1.391  -6.753
  218    HD1  TYR  33           HD2      TYR  33   4.827  -1.838  -6.895
  219    HD2  TYR  33           HD1      TYR  33   3.458   1.554  -9.187
  220    HE1  TYR  33           HE2      TYR  33   5.045  -3.150  -8.969
  221    HE2  TYR  33           HE1      TYR  33   3.623   0.203 -11.259
  222    HH   TYR  33           HH       TYR  33   4.535  -3.242 -11.253
  223    H    SER  34           HN       SER  34   4.253   3.848  -5.880
  224    HA   SER  34           HA       SER  34   6.086   4.711  -8.105
  225   1HB   SER  34          2HB       SER  34   3.357   5.659  -7.193
  226   2HB   SER  34          3HB       SER  34   4.453   6.714  -8.064
  227    HG   SER  34           HG       SER  34   4.346   4.288  -9.306
  228    H    ASN  35           HN       ASN  35   5.999   4.635  -4.791
  229    HA   ASN  35           HA       ASN  35   7.359   7.312  -4.644
  230   1HB   ASN  35          2HB       ASN  35   5.667   5.763  -2.616
  231   2HB   ASN  35          3HB       ASN  35   6.835   6.978  -2.115
  232   1HD2  ASN  35          2HD2      ASN  35   3.593   8.331  -4.265
  233   2HD2  ASN  35          1HD2      ASN  35   4.097   6.645  -4.398
  234    H    CYS  36           HN       CYS  36   7.603   3.992  -3.563
  235    HA   CYS  36           HA       CYS  36  10.079   4.681  -2.104
  236   1HB   CYS  36          2HB       CYS  36   7.972   3.299  -1.224
  237   2HB   CYS  36          3HB       CYS  36   8.867   2.001  -2.052
  238    HA   PRO  37           HA       PRO  37  12.284   2.254  -5.289
  239   1HB   PRO  37          2HB       PRO  37  14.663   1.865  -4.010
  240   2HB   PRO  37          3HB       PRO  37  14.195   3.432  -4.724
  241   1HG   PRO  37          2HG       PRO  37  14.121   2.610  -1.838
  242   2HG   PRO  37          3HG       PRO  37  14.555   4.193  -2.544
  243   1HD   PRO  37          2HD       PRO  37  12.048   3.469  -1.467
  244   2HD   PRO  37          3HD       PRO  37  12.281   4.845  -2.583
  245    HA   PRO  38           HA       PRO  38  13.741   0.463  -5.921
  246   1HB   PRO  38          2HB       PRO  38  13.642  -2.016  -6.936
  247   2HB   PRO  38          3HB       PRO  38  14.578  -1.672  -5.463
  248   1HG   PRO  38          2HG       PRO  38  11.735  -2.766  -5.591
  249   2HG   PRO  38          3HG       PRO  38  13.122  -3.479  -4.722
  250   1HD   PRO  38          2HD       PRO  38  11.317  -1.819  -3.510
  251   2HD   PRO  38          3HD       PRO  38  13.042  -1.782  -3.083
  252    OH   TYR  39           OH       TYR  39   8.105  -3.991  -3.046
  253    H    TYR  39           HN       TYR  39  10.538   0.793  -5.502
  254    HA   TYR  39           HA       TYR  39   9.599  -0.287  -8.057
  255   1HB   TYR  39          2HB       TYR  39   8.050   1.325  -6.039
  256   2HB   TYR  39          3HB       TYR  39   7.477   0.266  -7.349
  257    HD1  TYR  39           HD1      TYR  39   7.633  -2.181  -7.182
  258    HD2  TYR  39           HD2      TYR  39   8.718   0.406  -3.903
  259    HE1  TYR  39           HE1      TYR  39   7.498  -4.092  -5.608
  260    HE2  TYR  39           HE2      TYR  39   8.720  -1.537  -2.371
  261    HH   TYR  39           HH       TYR  39   7.258  -4.451  -3.162
  262    H    VAL  40           HN       VAL  40   9.249   2.981  -6.529
  263    HA   VAL  40           HA       VAL  40   8.522   4.490  -8.539
  264    HB   VAL  40           HB       VAL  40   8.866   5.175  -6.271
  265   1HG1  VAL  40          3HG1      VAL  40  11.240   4.128  -6.058
  266   2HG1  VAL  40          1HG1      VAL  40  11.807   5.643  -6.724
  267   3HG1  VAL  40          2HG1      VAL  40  10.934   5.654  -5.213
  268   1HG2  VAL  40          3HG2      VAL  40   8.693   6.886  -8.118
  269   2HG2  VAL  40          1HG2      VAL  40   9.488   7.471  -6.641
  270   3HG2  VAL  40          2HG2      VAL  40  10.449   7.044  -8.070
   
  Start of MODEL          16
 Raw file had  270 H/Q atoms
  Start of MODEL   16
    1   1H    ASP   1          3HN       ASP   1  -9.821   2.408   5.308
    2   2H    ASP   1          1HN       ASP   1 -10.466   3.925   5.484
    3   3H    ASP   1          2HN       ASP   1  -9.257   3.702   4.417
    4    HA   ASP   1           HA       ASP   1  -8.125   4.651   6.056
    5   1HB   ASP   1          2HB       ASP   1 -10.047   4.587   7.644
    6   2HB   ASP   1          3HB       ASP   1  -9.361   2.999   8.088
    7    H    ALA   2           HN       ALA   2  -6.626   3.586   7.779
    8    HA   ALA   2           HA       ALA   2  -4.997   2.334   8.516
    9   1HB   ALA   2          3HB       ALA   2  -6.895   0.562   8.536
   10   2HB   ALA   2          1HB       ALA   2  -6.064  -0.129   7.122
   11   3HB   ALA   2          2HB       ALA   2  -5.206   0.069   8.679
   12    H    CYS   3           HN       CYS   3  -5.868   1.561   5.306
   13    HA   CYS   3           HA       CYS   3  -3.708   0.582   3.964
   14   1HB   CYS   3          2HB       CYS   3  -5.933   2.526   3.222
   15   2HB   CYS   3          3HB       CYS   3  -4.705   2.135   2.049
   16    H    GLU   4           HN       GLU   4  -4.537   4.090   4.174
   17    HA   GLU   4           HA       GLU   4  -2.197   4.921   2.831
   18   1HB   GLU   4          2HB       GLU   4  -3.957   6.470   4.786
   19   2HB   GLU   4          3HB       GLU   4  -2.717   7.138   3.713
   20   1HG   GLU   4          2HG       GLU   4  -3.942   6.070   1.741
   21   2HG   GLU   4          3HG       GLU   4  -5.242   5.619   2.855
   22    H    GLN   5           HN       GLN   5  -2.888   4.665   6.357
   23    HA   GLN   5           HA       GLN   5  -0.316   5.514   7.120
   24   1HB   GLN   5          2HB       GLN   5  -2.432   5.109   8.602
   25   2HB   GLN   5          3HB       GLN   5  -2.019   3.417   8.580
   26   1HG   GLN   5          2HG       GLN   5  -1.280   4.475  10.629
   27   2HG   GLN   5          3HG       GLN   5   0.110   3.883   9.723
   28   1HE2  GLN   5          2HE2      GLN   5  -0.332   7.984   9.373
   29   2HE2  GLN   5          1HE2      GLN   5  -1.603   6.910   8.830
   30    H    ALA   6           HN       ALA   6  -1.337   2.273   6.030
   31    HA   ALA   6           HA       ALA   6   1.191   0.989   6.677
   32   1HB   ALA   6          1HB       ALA   6  -1.052   0.414   4.717
   33   2HB   ALA   6          2HB       ALA   6   0.480  -0.413   4.571
   34   3HB   ALA   6          3HB       ALA   6  -0.437  -0.538   6.081
   35    H    ALA   7           HN       ALA   7  -0.075   2.594   3.724
   36    HA   ALA   7           HA       ALA   7   2.397   2.160   2.368
   37   1HB   ALA   7          1HB       ALA   7  -0.053   3.801   1.700
   38   2HB   ALA   7          2HB       ALA   7   1.361   3.647   0.616
   39   3HB   ALA   7          3HB       ALA   7   0.461   2.219   1.086
   40    H    ILE   8           HN       ILE   8   1.402   4.780   4.418
   41    HA   ILE   8           HA       ILE   8   3.441   6.666   3.883
   42    HB   ILE   8           HB       ILE   8   1.610   5.890   6.076
   43   1HG1  ILE   8          2HG1      ILE   8   1.592   8.321   6.509
   44   2HG1  ILE   8          3HG1      ILE   8   2.887   8.514   5.329
   45   1HG2  ILE   8          1HG2      ILE   8   4.246   7.083   6.899
   46   2HG2  ILE   8          2HG2      ILE   8   2.762   7.000   7.880
   47   3HG2  ILE   8          3HG2      ILE   8   3.571   5.502   7.412
   48   1HD1  ILE   8          2HD1      ILE   8   1.317   7.569   3.585
   49   2HD1  ILE   8          3HD1      ILE   8   0.063   7.515   4.855
   50   3HD1  ILE   8          1HD1      ILE   8   0.745   9.074   4.344
   51    H    GLN   9           HN       GLN   9   3.513   3.510   5.496
   52    HA   GLN   9           HA       GLN   9   6.143   3.930   6.622
   53   1HB   GLN   9          2HB       GLN   9   4.084   2.577   7.529
   54   2HB   GLN   9          3HB       GLN   9   4.562   1.341   6.415
   55   1HG   GLN   9          2HG       GLN   9   5.378   0.882   8.622
   56   2HG   GLN   9          3HG       GLN   9   6.737   1.051   7.499
   57   1HE2  GLN   9          2HE2      GLN   9   5.986   4.371   9.915
   58   2HE2  GLN   9          1HE2      GLN   9   4.665   3.480   9.214
   59    H    CYS  10           HN       CYS  10   5.018   2.971   3.528
   60    HA   CYS  10           HA       CYS  10   6.156   2.366   1.682
   61   1HB   CYS  10          2HB       CYS  10   7.892   3.836   3.074
   62   2HB   CYS  10          3HB       CYS  10   8.802   2.330   3.123
   63    H    VAL  11           HN       VAL  11   4.895   0.306   2.911
   64    HA   VAL  11           HA       VAL  11   6.700  -1.995   2.604
   65    HB   VAL  11           HB       VAL  11   4.679  -2.700   4.419
   66   1HG1  VAL  11          3HG1      VAL  11   6.844  -3.822   4.145
   67   2HG1  VAL  11          1HG1      VAL  11   7.659  -2.399   4.848
   68   3HG1  VAL  11          2HG1      VAL  11   6.537  -3.365   5.826
   69   1HG2  VAL  11          2HG2      VAL  11   4.567  -0.358   5.045
   70   2HG2  VAL  11          3HG2      VAL  11   5.301  -1.340   6.341
   71   3HG2  VAL  11          1HG2      VAL  11   6.347  -0.337   5.312
   72    H    GLU  12           HN       GLU  12   5.929  -3.015   0.766
   73    HA   GLU  12           HA       GLU  12   3.285  -2.681  -0.368
   74   1HB   GLU  12          2HB       GLU  12   5.488  -4.734  -0.813
   75   2HB   GLU  12          3HB       GLU  12   3.932  -4.805  -1.636
   76   1HG   GLU  12          2HG       GLU  12   4.265  -2.615  -2.660
   77   2HG   GLU  12          3HG       GLU  12   5.829  -2.441  -1.840
   78    H    SER  13           HN       SER  13   4.803  -5.064   1.665
   79    HA   SER  13           HA       SER  13   2.556  -6.813   1.760
   80   1HB   SER  13          2HB       SER  13   3.879  -7.710   3.830
   81   2HB   SER  13          3HB       SER  13   4.717  -7.739   2.261
   82    HG   SER  13           HG       SER  13   6.071  -6.792   3.790
   83    H    ALA  14           HN       ALA  14   3.190  -3.861   3.503
   84    HA   ALA  14           HA       ALA  14   1.267  -4.506   5.600
   85   1HB   ALA  14          2HB       ALA  14   2.192  -1.781   4.654
   86   2HB   ALA  14          3HB       ALA  14   1.155  -2.153   6.059
   87   3HB   ALA  14          1HB       ALA  14   2.824  -2.717   6.037
   88    H    CYS  15           HN       CYS  15   1.090  -2.722   2.350
   89    HA   CYS  15           HA       CYS  15  -1.732  -2.266   2.543
   90   1HB   CYS  15          2HB       CYS  15   0.044  -2.864   0.102
   91   2HB   CYS  15          3HB       CYS  15  -1.617  -2.303   0.046
   92    H    GLU  16           HN       GLU  16   0.121  -5.096   1.233
   93    HA   GLU  16           HA       GLU  16  -2.256  -6.364   0.360
   94   1HB   GLU  16          2HB       GLU  16  -0.939  -7.913  -0.520
   95   2HB   GLU  16          3HB       GLU  16   0.363  -6.847  -0.054
   96   1HG   GLU  16          2HG       GLU  16   1.010  -9.034   0.546
   97   2HG   GLU  16          3HG       GLU  16   0.620  -8.238   2.071
   98    H    SER  17           HN       SER  17  -0.545  -6.518   3.460
   99    HA   SER  17           HA       SER  17  -2.544  -8.383   4.564
  100   1HB   SER  17          2HB       SER  17  -0.066  -8.833   4.775
  101   2HB   SER  17          3HB       SER  17   0.023  -7.448   5.868
  102    HG   SER  17           HG       SER  17  -2.032  -8.915   6.676
  103    H    LEU  18           HN       LEU  18  -3.293  -5.744   3.858
  104    HA   LEU  18           HA       LEU  18  -4.402  -4.914   6.484
  105   1HB   LEU  18          2HB       LEU  18  -2.324  -3.631   6.232
  106   2HB   LEU  18          3HB       LEU  18  -2.901  -2.981   4.676
  107    HG   LEU  18           HG       LEU  18  -4.627  -1.783   5.666
  108   1HD1  LEU  18          1HD1      LEU  18  -3.993  -3.436   8.190
  109   2HD1  LEU  18          2HD1      LEU  18  -4.915  -1.952   8.291
  110   3HD1  LEU  18          3HD1      LEU  18  -5.548  -3.289   7.370
  111   1HD2  LEU  18          2HD2      LEU  18  -2.033  -1.632   7.227
  112   2HD2  LEU  18          3HD2      LEU  18  -2.624  -0.650   5.850
  113   3HD2  LEU  18          1HD2      LEU  18  -3.351  -0.477   7.450
  114    H    CYS  19           HN       CYS  19  -4.212  -3.921   3.041
  115    HA   CYS  19           HA       CYS  19  -6.869  -2.778   3.211
  116   1HB   CYS  19          2HB       CYS  19  -4.982  -3.257   0.912
  117   2HB   CYS  19          3HB       CYS  19  -6.491  -2.316   0.755
  118    H    THR  20           HN       THR  20  -8.557  -3.608   1.676
  119    HA   THR  20           HA       THR  20  -8.742  -6.481   1.744
  120    HB   THR  20           HB       THR  20 -10.487  -4.485   0.236
  121    HG1  THR  20          1HG       THR  20 -10.500  -4.234   2.510
  122   1HG2  THR  20          1HG2      THR  20 -10.881  -7.410   0.995
  123   2HG2  THR  20          2HG2      THR  20 -12.133  -6.353   0.324
  124   3HG2  THR  20          3HG2      THR  20 -10.738  -6.806  -0.668
  125    H    GLU  21           HN       GLU  21  -9.281  -4.868  -1.352
  126    HA   GLU  21           HA       GLU  21  -7.162  -5.389  -2.970
  127   1HB   GLU  21          2HB       GLU  21  -7.424  -7.857  -2.368
  128   2HB   GLU  21          3HB       GLU  21  -9.080  -7.750  -2.973
  129   1HG   GLU  21          2HG       GLU  21  -8.006  -8.727  -4.705
  130   2HG   GLU  21          3HG       GLU  21  -7.770  -7.081  -5.227
  131    H    GLY  22           HN       GLY  22  -7.899  -4.877  -5.136
  132   1HA   GLY  22          1HA       GLY  22  -9.591  -4.908  -6.839
  133   2HA   GLY  22          2HA       GLY  22 -10.846  -4.682  -5.617
  134    H    GLU  23           HN       GLU  23  -9.036  -2.731  -4.255
  135    HA   GLU  23           HA       GLU  23  -9.024  -0.296  -5.825
  136   1HB   GLU  23          2HB       GLU  23 -10.999   0.700  -4.611
  137   2HB   GLU  23          3HB       GLU  23 -11.395  -0.549  -5.787
  138   1HG   GLU  23          2HG       GLU  23 -11.421  -2.163  -3.703
  139   2HG   GLU  23          3HG       GLU  23 -11.581  -0.658  -2.768
  140    H    ASP  24           HN       ASP  24  -9.778  -1.541  -2.599
  141    HA   ASP  24           HA       ASP  24  -8.736   0.483  -1.084
  142   1HB   ASP  24          2HB       ASP  24 -10.060  -1.704  -0.381
  143   2HB   ASP  24          3HB       ASP  24  -8.539  -2.501  -0.318
  144    NH1  ARG  25           NH2      ARG  25  -3.232  -8.398  -1.994
  145    NH2  ARG  25           NH1      ARG  25  -3.984  -8.823   0.134
  146    H    ARG  25           HN       ARG  25  -7.239  -2.540  -2.025
  147    HA   ARG  25           HA       ARG  25  -4.605  -1.949  -1.114
  148   1HB   ARG  25          2HB       ARG  25  -5.707  -3.739  -3.326
  149   2HB   ARG  25          3HB       ARG  25  -3.971  -3.540  -3.110
  150   1HG   ARG  25          2HG       ARG  25  -4.176  -4.231  -0.739
  151   2HG   ARG  25          3HG       ARG  25  -5.915  -4.573  -1.014
  152   1HD   ARG  25          2HD       ARG  25  -5.060  -6.161  -2.876
  153   2HD   ARG  25          3HD       ARG  25  -3.439  -5.801  -2.262
  154    HE   ARG  25           HE       ARG  25  -5.395  -6.722  -0.257
  155   1HH1  ARG  25          2HH2      ARG  25  -3.188  -7.825  -2.840
  156   2HH1  ARG  25          1HH2      ARG  25  -2.751  -9.294  -2.010
  157   1HH2  ARG  25          2HH1      ARG  25  -4.285  -8.410   1.008
  158   2HH2  ARG  25          1HH1      ARG  25  -3.269  -9.547   0.205
  159    H    THR  26           HN       THR  26  -6.106  -1.716  -4.439
  160    HA   THR  26           HA       THR  26  -4.051  -0.849  -5.825
  161    HB   THR  26           HB       THR  26  -6.741   0.499  -6.130
  162    HG1  THR  26          1HG       THR  26  -6.006  -2.206  -6.672
  163   1HG2  THR  26          3HG2      THR  26  -4.843   0.973  -7.739
  164   2HG2  THR  26          1HG2      THR  26  -4.846  -0.740  -8.178
  165   3HG2  THR  26          2HG2      THR  26  -6.261   0.272  -8.504
  166    H    GLY  27           HN       GLY  27  -6.075   1.591  -3.962
  167   1HA   GLY  27          1HA       GLY  27  -4.442   3.813  -4.752
  168   2HA   GLY  27          2HA       GLY  27  -5.421   3.722  -3.287
  169    H    CYS  28           HN       CYS  28  -4.258   1.728  -1.862
  170    HA   CYS  28           HA       CYS  28  -2.118   2.987  -0.472
  171   1HB   CYS  28          2HB       CYS  28  -3.724   1.348   0.394
  172   2HB   CYS  28          3HB       CYS  28  -3.001   0.051  -0.536
  173    OH   TYR  29           OH       TYR  29   1.464  -6.513  -2.721
  174    H    TYR  29           HN       TYR  29  -2.237   0.344  -2.776
  175    HA   TYR  29           HA       TYR  29   0.487  -0.498  -2.417
  176   1HB   TYR  29          2HB       TYR  29  -1.926  -1.560  -3.492
  177   2HB   TYR  29          3HB       TYR  29  -0.899  -1.355  -4.879
  178    HD1  TYR  29           HD1      TYR  29   1.642  -2.333  -4.513
  179    HD2  TYR  29           HD2      TYR  29  -1.865  -3.495  -2.285
  180    HE1  TYR  29           HE1      TYR  29   2.680  -4.512  -3.968
  181    HE2  TYR  29           HE2      TYR  29  -0.886  -5.725  -1.899
  182    HH   TYR  29           HH       TYR  29   2.294  -6.526  -2.219
  183    H    MET  30           HN       MET  30  -1.386   1.068  -5.072
  184    HA   MET  30           HA       MET  30   0.641   1.655  -6.878
  185   1HB   MET  30          2HB       MET  30  -1.797   3.256  -6.130
  186   2HB   MET  30          3HB       MET  30  -0.684   3.709  -7.428
  187   1HG   MET  30          2HG       MET  30  -1.082   1.523  -8.548
  188   2HG   MET  30          3HG       MET  30  -2.321   1.159  -7.379
  189   1HE   MET  30          2HE       MET  30  -4.436   3.144  -7.036
  190   2HE   MET  30          3HE       MET  30  -3.338   4.529  -7.270
  191   3HE   MET  30          1HE       MET  30  -4.747   4.326  -8.325
  192    OH   TYR  31           OH       TYR  31   3.674   9.512   0.115
  193    H    TYR  31           HN       TYR  31  -0.192   3.380  -3.803
  194    HA   TYR  31           HA       TYR  31   1.531   5.608  -4.260
  195   1HB   TYR  31          2HB       TYR  31  -0.129   5.485  -2.397
  196   2HB   TYR  31          3HB       TYR  31   0.896   4.319  -1.580
  197    HD1  TYR  31           HD2      TYR  31   0.841   7.772  -2.966
  198    HD2  TYR  31           HD1      TYR  31   2.852   5.048  -0.293
  199    HE1  TYR  31           HE2      TYR  31   2.054   9.644  -1.948
  200    HE2  TYR  31           HE1      TYR  31   3.941   6.954   0.836
  201    HH   TYR  31           HH       TYR  31   4.123   9.296   0.948
  202    H    ILE  32           HN       ILE  32   2.204   2.695  -2.329
  203    HA   ILE  32           HA       ILE  32   4.953   3.203  -1.829
  204    HB   ILE  32           HB       ILE  32   3.539   0.525  -2.216
  205   1HG1  ILE  32          2HG1      ILE  32   3.818   2.265   0.278
  206   2HG1  ILE  32          3HG1      ILE  32   2.318   1.883  -0.586
  207   1HG2  ILE  32          3HG2      ILE  32   6.074   0.426  -2.136
  208   2HG2  ILE  32          1HG2      ILE  32   5.974   1.130  -0.502
  209   3HG2  ILE  32          2HG2      ILE  32   5.270  -0.454  -0.857
  210   1HD1  ILE  32          2HD1      ILE  32   2.764  -0.552  -0.187
  211   2HD1  ILE  32          3HD1      ILE  32   4.060  -0.008   0.913
  212   3HD1  ILE  32          1HD1      ILE  32   2.382   0.374   1.268
  213    OH   TYR  33           OH       TYR  33   4.013  -2.423 -11.303
  214    H    TYR  33           HN       TYR  33   3.291   1.490  -4.378
  215    HA   TYR  33           HA       TYR  33   5.432   0.382  -5.802
  216   1HB   TYR  33          2HB       TYR  33   3.017  -0.196  -5.775
  217   2HB   TYR  33          3HB       TYR  33   2.696   1.324  -6.618
  218    HD1  TYR  33           HD1      TYR  33   3.631   1.513  -9.073
  219    HD2  TYR  33           HD2      TYR  33   3.382  -2.175  -6.834
  220    HE1  TYR  33           HE1      TYR  33   3.914   0.199 -11.159
  221    HE2  TYR  33           HE2      TYR  33   3.549  -3.461  -8.912
  222    HH   TYR  33           HH       TYR  33   3.902  -3.372 -11.150
  223    H    SER  34           HN       SER  34   4.097   3.667  -5.803
  224    HA   SER  34           HA       SER  34   5.853   4.459  -8.098
  225   1HB   SER  34          2HB       SER  34   3.507   5.778  -6.724
  226   2HB   SER  34          3HB       SER  34   4.470   6.468  -8.031
  227    HG   SER  34           HG       SER  34   2.678   5.502  -8.971
  228    H    ASN  35           HN       ASN  35   5.994   4.383  -4.740
  229    HA   ASN  35           HA       ASN  35   7.653   6.904  -4.631
  230   1HB   ASN  35          2HB       ASN  35   5.579   5.814  -2.693
  231   2HB   ASN  35          3HB       ASN  35   6.823   6.947  -2.235
  232   1HD2  ASN  35          2HD2      ASN  35   3.713   8.277  -4.560
  233   2HD2  ASN  35          1HD2      ASN  35   3.984   6.558  -4.286
  234    H    CYS  36           HN       CYS  36   7.649   3.504  -3.850
  235    HA   CYS  36           HA       CYS  36   9.665   3.950  -1.724
  236   1HB   CYS  36          2HB       CYS  36   7.420   2.431  -1.675
  237   2HB   CYS  36          3HB       CYS  36   8.594   1.280  -2.382
  238    HA   PRO  37           HA       PRO  37  12.663   1.836  -4.495
  239   1HB   PRO  37          2HB       PRO  37  14.322   0.732  -2.601
  240   2HB   PRO  37          3HB       PRO  37  14.368   2.464  -3.054
  241   1HG   PRO  37          2HG       PRO  37  12.915   1.208  -0.711
  242   2HG   PRO  37          3HG       PRO  37  13.965   2.648  -0.675
  243   1HD   PRO  37          2HD       PRO  37  11.264   2.754  -0.801
  244   2HD   PRO  37          3HD       PRO  37  12.205   3.982  -1.668
  245    HA   PRO  38           HA       PRO  38  13.906  -0.246  -5.114
  246   1HB   PRO  38          2HB       PRO  38  13.399  -2.120  -6.998
  247   2HB   PRO  38          3HB       PRO  38  13.883  -2.574  -5.335
  248   1HG   PRO  38          2HG       PRO  38  11.050  -2.376  -6.441
  249   2HG   PRO  38          3HG       PRO  38  11.799  -3.785  -5.645
  250   1HD   PRO  38          2HD       PRO  38  10.305  -1.992  -4.222
  251   2HD   PRO  38          3HD       PRO  38  11.805  -2.649  -3.512
  252    OH   TYR  39           OH       TYR  39   6.054  -3.361  -6.718
  253    H    TYR  39           HN       TYR  39  10.539   0.327  -5.800
  254    HA   TYR  39           HA       TYR  39  10.663   0.773  -8.591
  255   1HB   TYR  39          2HB       TYR  39   8.799   2.097  -6.572
  256   2HB   TYR  39          3HB       TYR  39   8.570   1.980  -8.291
  257    HD1  TYR  39           HD2      TYR  39   8.510   0.113  -5.083
  258    HD2  TYR  39           HD1      TYR  39   7.671  -0.039  -9.308
  259    HE1  TYR  39           HE2      TYR  39   7.242  -1.980  -4.765
  260    HE2  TYR  39           HE1      TYR  39   6.488  -2.178  -8.998
  261    HH   TYR  39           HH       TYR  39   5.763  -3.517  -5.805
  262    H    VAL  40           HN       VAL  40  10.759   3.115  -5.890
  263    HA   VAL  40           HA       VAL  40  12.015   5.177  -7.642
  264    HB   VAL  40           HB       VAL  40  10.454   5.358  -5.113
  265   1HG1  VAL  40          1HG1      VAL  40  11.758   7.550  -6.778
  266   2HG1  VAL  40          2HG1      VAL  40  10.562   7.819  -5.489
  267   3HG1  VAL  40          3HG1      VAL  40  12.127   7.107  -5.097
  268   1HG2  VAL  40          2HG2      VAL  40   9.879   6.052  -8.022
  269   2HG2  VAL  40          3HG2      VAL  40   8.969   4.944  -6.974
  270   3HG2  VAL  40          1HG2      VAL  40   8.946   6.699  -6.673
   
  Start of MODEL          17
 Raw file had  270 H/Q atoms
  Start of MODEL   17
    1   1H    ASP   1          3HN       ASP   1 -10.047   1.959   9.260
    2   2H    ASP   1          1HN       ASP   1 -11.131   2.122   8.014
    3   3H    ASP   1          2HN       ASP   1 -10.188   0.792   8.124
    4    HA   ASP   1           HA       ASP   1  -9.203   2.057   6.448
    5   1HB   ASP   1          2HB       ASP   1  -8.578   4.361   6.650
    6   2HB   ASP   1          3HB       ASP   1 -10.279   4.228   6.996
    7    H    ALA   2           HN       ALA   2  -6.991   2.930   6.412
    8    HA   ALA   2           HA       ALA   2  -5.002   2.981   8.324
    9   1HB   ALA   2          3HB       ALA   2  -5.688   0.207   7.311
   10   2HB   ALA   2          1HB       ALA   2  -4.084   0.657   7.961
   11   3HB   ALA   2          2HB       ALA   2  -5.506   0.721   9.019
   12    H    CYS   3           HN       CYS   3  -5.993   1.549   5.258
   13    HA   CYS   3           HA       CYS   3  -4.041   0.780   3.908
   14   1HB   CYS   3          2HB       CYS   3  -6.229   2.631   2.986
   15   2HB   CYS   3          3HB       CYS   3  -5.003   2.141   1.819
   16    H    GLU   4           HN       GLU   4  -4.566   4.376   3.439
   17    HA   GLU   4           HA       GLU   4  -2.081   4.650   2.139
   18   1HB   GLU   4          2HB       GLU   4  -3.511   6.836   3.687
   19   2HB   GLU   4          3HB       GLU   4  -2.334   7.010   2.381
   20   1HG   GLU   4          2HG       GLU   4  -4.162   7.156   1.054
   21   2HG   GLU   4          3HG       GLU   4  -4.189   5.403   1.127
   22    H    GLN   5           HN       GLN   5  -2.864   4.957   5.608
   23    HA   GLN   5           HA       GLN   5  -0.326   5.867   6.459
   24   1HB   GLN   5          2HB       GLN   5  -2.565   5.649   7.809
   25   2HB   GLN   5          3HB       GLN   5  -1.991   4.010   8.169
   26   1HG   GLN   5          2HG       GLN   5   0.198   5.073   8.941
   27   2HG   GLN   5          3HG       GLN   5  -0.564   6.648   8.693
   28   1HE2  GLN   5          2HE2      GLN   5  -1.641   4.261  11.900
   29   2HE2  GLN   5          1HE2      GLN   5  -0.919   3.533  10.492
   30    H    ALA   6           HN       ALA   6  -1.580   2.582   5.756
   31    HA   ALA   6           HA       ALA   6   0.677   1.081   6.691
   32   1HB   ALA   6          3HB       ALA   6  -1.563   0.165   5.765
   33   2HB   ALA   6          1HB       ALA   6  -0.864   0.396   4.150
   34   3HB   ALA   6          2HB       ALA   6  -0.075  -0.669   5.266
   35    H    ALA   7           HN       ALA   7  -0.149   2.504   3.513
   36    HA   ALA   7           HA       ALA   7   2.298   1.700   2.364
   37   1HB   ALA   7          1HB       ALA   7   0.273   3.728   1.397
   38   2HB   ALA   7          2HB       ALA   7   1.637   3.081   0.435
   39   3HB   ALA   7          3HB       ALA   7   0.389   2.001   1.006
   40    H    ILE   8           HN       ILE   8   1.514   4.581   4.127
   41    HA   ILE   8           HA       ILE   8   3.832   6.088   3.540
   42    HB   ILE   8           HB       ILE   8   1.740   5.974   5.603
   43   1HG1  ILE   8          2HG1      ILE   8   2.281   8.497   5.570
   44   2HG1  ILE   8          3HG1      ILE   8   3.353   8.139   4.221
   45   1HG2  ILE   8          2HG2      ILE   8   4.421   6.960   6.526
   46   2HG2  ILE   8          3HG2      ILE   8   2.850   7.206   7.324
   47   3HG2  ILE   8          1HG2      ILE   8   3.501   5.567   7.171
   48   1HD1  ILE   8          1HD1      ILE   8   1.403   7.104   3.013
   49   2HD1  ILE   8          2HD1      ILE   8   0.365   7.533   4.398
   50   3HD1  ILE   8          3HD1      ILE   8   1.126   8.809   3.437
   51    H    GLN   9           HN       GLN   9   3.401   3.168   5.621
   52    HA   GLN   9           HA       GLN   9   6.078   3.424   6.683
   53   1HB   GLN   9          2HB       GLN   9   4.199   2.155   7.775
   54   2HB   GLN   9          3HB       GLN   9   4.457   0.885   6.592
   55   1HG   GLN   9          2HG       GLN   9   7.025   1.673   7.799
   56   2HG   GLN   9          3HG       GLN   9   5.858   1.371   9.053
   57   1HE2  GLN   9          2HE2      GLN   9   7.537  -1.749   7.086
   58   2HE2  GLN   9          1HE2      GLN   9   7.942  -0.059   6.743
   59    H    CYS  10           HN       CYS  10   4.970   2.596   3.511
   60    HA   CYS  10           HA       CYS  10   6.179   2.224   1.706
   61   1HB   CYS  10          2HB       CYS  10   7.954   3.455   3.288
   62   2HB   CYS  10          3HB       CYS  10   8.779   1.907   3.226
   63    H    VAL  11           HN       VAL  11   4.794   0.191   2.607
   64    HA   VAL  11           HA       VAL  11   6.442  -2.240   2.259
   65    HB   VAL  11           HB       VAL  11   4.381  -2.802   4.067
   66   1HG1  VAL  11          1HG1      VAL  11   6.503  -4.051   3.777
   67   2HG1  VAL  11          2HG1      VAL  11   7.384  -2.686   4.503
   68   3HG1  VAL  11          3HG1      VAL  11   6.196  -3.598   5.464
   69   1HG2  VAL  11          1HG2      VAL  11   4.384  -0.463   4.678
   70   2HG2  VAL  11          2HG2      VAL  11   4.991  -1.541   5.958
   71   3HG2  VAL  11          3HG2      VAL  11   6.150  -0.593   4.987
   72    H    GLU  12           HN       GLU  12   5.620  -3.137   0.404
   73    HA   GLU  12           HA       GLU  12   2.876  -3.133  -0.507
   74   1HB   GLU  12          2HB       GLU  12   5.149  -5.168  -0.705
   75   2HB   GLU  12          3HB       GLU  12   3.526  -5.492  -1.305
   76   1HG   GLU  12          2HG       GLU  12   3.681  -3.585  -2.864
   77   2HG   GLU  12          3HG       GLU  12   5.341  -3.274  -2.317
   78    H    SER  13           HN       SER  13   4.775  -5.177   1.562
   79    HA   SER  13           HA       SER  13   2.781  -7.004   2.203
   80   1HB   SER  13          2HB       SER  13   5.490  -6.821   2.680
   81   2HB   SER  13          3HB       SER  13   4.916  -6.364   4.281
   82    HG   SER  13           HG       SER  13   4.696  -8.797   2.876
   83    H    ALA  14           HN       ALA  14   2.937  -3.803   3.316
   84    HA   ALA  14           HA       ALA  14   1.359  -4.376   5.749
   85   1HB   ALA  14          2HB       ALA  14   2.935  -2.465   5.728
   86   2HB   ALA  14          3HB       ALA  14   1.950  -1.689   4.465
   87   3HB   ALA  14          1HB       ALA  14   1.277  -2.053   6.083
   88    H    CYS  15           HN       CYS  15   1.034  -2.977   2.370
   89    HA   CYS  15           HA       CYS  15  -1.756  -2.442   2.627
   90   1HB   CYS  15          2HB       CYS  15  -0.100  -3.246   0.163
   91   2HB   CYS  15          3HB       CYS  15  -1.729  -2.571   0.138
   92    H    GLU  16           HN       GLU  16   0.028  -5.261   1.389
   93    HA   GLU  16           HA       GLU  16  -2.088  -6.858   0.523
   94   1HB   GLU  16          2HB       GLU  16   0.508  -7.063   0.309
   95   2HB   GLU  16          3HB       GLU  16   0.412  -7.864   1.880
   96   1HG   GLU  16          2HG       GLU  16  -1.528  -9.168   0.303
   97   2HG   GLU  16          3HG       GLU  16  -0.240  -8.848  -0.852
   98    H    SER  17           HN       SER  17  -1.204  -6.020   3.794
   99    HA   SER  17           HA       SER  17  -2.800  -8.240   4.940
  100   1HB   SER  17          2HB       SER  17  -0.159  -7.865   5.332
  101   2HB   SER  17          3HB       SER  17  -0.741  -6.661   6.487
  102    HG   SER  17           HG       SER  17  -1.927  -8.346   7.493
  103    H    LEU  18           HN       LEU  18  -3.466  -5.294   3.986
  104    HA   LEU  18           HA       LEU  18  -4.768  -4.453   6.519
  105   1HB   LEU  18          2HB       LEU  18  -2.345  -3.775   6.439
  106   2HB   LEU  18          3HB       LEU  18  -2.711  -2.767   5.021
  107    HG   LEU  18           HG       LEU  18  -3.663  -1.157   6.239
  108   1HD1  LEU  18          1HD1      LEU  18  -4.308  -3.275   8.370
  109   2HD1  LEU  18          2HD1      LEU  18  -4.458  -1.559   8.721
  110   3HD1  LEU  18          3HD1      LEU  18  -5.471  -2.277   7.462
  111   1HD2  LEU  18          2HD2      LEU  18  -1.251  -1.692   6.991
  112   2HD2  LEU  18          3HD2      LEU  18  -2.185  -0.746   8.173
  113   3HD2  LEU  18          1HD2      LEU  18  -1.955  -2.492   8.392
  114    H    CYS  19           HN       CYS  19  -4.336  -4.067   3.059
  115    HA   CYS  19           HA       CYS  19  -6.974  -2.725   2.887
  116   1HB   CYS  19          2HB       CYS  19  -4.877  -3.035   0.771
  117   2HB   CYS  19          3HB       CYS  19  -6.473  -2.234   0.621
  118    H    THR  20           HN       THR  20  -8.460  -3.974   1.660
  119    HA   THR  20           HA       THR  20  -8.150  -6.725   1.944
  120    HB   THR  20           HB       THR  20 -10.377  -5.318   0.392
  121    HG1  THR  20          1HG       THR  20 -10.139  -4.159   2.216
  122   1HG2  THR  20          3HG2      THR  20 -10.102  -7.832   2.095
  123   2HG2  THR  20          1HG2      THR  20 -11.646  -7.196   1.469
  124   3HG2  THR  20          2HG2      THR  20 -10.381  -7.741   0.346
  125    H    GLU  21           HN       GLU  21  -9.103  -5.161  -1.084
  126    HA   GLU  21           HA       GLU  21  -7.365  -5.485  -2.977
  127   1HB   GLU  21          2HB       GLU  21  -6.941  -7.863  -2.451
  128   2HB   GLU  21          3HB       GLU  21  -8.668  -8.225  -2.618
  129   1HG   GLU  21          2HG       GLU  21  -7.170  -8.930  -4.512
  130   2HG   GLU  21          3HG       GLU  21  -8.460  -7.848  -5.020
  131    H    GLY  22           HN       GLY  22  -8.396  -4.332  -4.504
  132   1HA   GLY  22          1HA       GLY  22 -10.245  -4.098  -6.086
  133   2HA   GLY  22          2HA       GLY  22 -11.380  -4.495  -4.786
  134    H    GLU  23           HN       GLU  23  -8.810  -2.266  -5.606
  135    HA   GLU  23           HA       GLU  23  -8.769  -0.012  -5.803
  136   1HB   GLU  23          2HB       GLU  23 -11.126   0.395  -5.904
  137   2HB   GLU  23          3HB       GLU  23 -11.287   0.184  -4.149
  138   1HG   GLU  23          2HG       GLU  23  -9.671   2.132  -3.866
  139   2HG   GLU  23          3HG       GLU  23  -9.673   2.316  -5.613
  140    H    ASP  24           HN       ASP  24  -9.712  -1.470  -2.765
  141    HA   ASP  24           HA       ASP  24  -8.576   0.293  -0.947
  142   1HB   ASP  24          2HB       ASP  24 -10.025  -1.937  -0.693
  143   2HB   ASP  24          3HB       ASP  24  -8.541  -2.787  -0.620
  144    NH1  ARG  25           NH2      ARG  25  -4.288  -8.805  -2.094
  145    NH2  ARG  25           NH1      ARG  25  -4.462  -9.078   0.205
  146    H    ARG  25           HN       ARG  25  -7.181  -2.719  -2.203
  147    HA   ARG  25           HA       ARG  25  -4.559  -2.101  -1.249
  148   1HB   ARG  25          2HB       ARG  25  -5.533  -4.047  -3.362
  149   2HB   ARG  25          3HB       ARG  25  -3.808  -3.748  -3.103
  150   1HG   ARG  25          2HG       ARG  25  -3.972  -4.324  -0.736
  151   2HG   ARG  25          3HG       ARG  25  -5.742  -4.552  -0.900
  152   1HD   ARG  25          2HD       ARG  25  -5.314  -6.299  -2.555
  153   2HD   ARG  25          3HD       ARG  25  -3.562  -6.135  -2.338
  154    HE   ARG  25           HE       ARG  25  -5.017  -6.622   0.156
  155   1HH1  ARG  25          2HH2      ARG  25  -4.412  -8.219  -2.917
  156   2HH1  ARG  25          1HH2      ARG  25  -4.331  -9.815  -2.221
  157   1HH2  ARG  25          2HH1      ARG  25  -4.826  -8.723   1.096
  158   2HH2  ARG  25          1HH1      ARG  25  -4.085 -10.025   0.192
  159    H    THR  26           HN       THR  26  -6.006  -1.828  -4.582
  160    HA   THR  26           HA       THR  26  -4.007  -0.811  -6.001
  161    HB   THR  26           HB       THR  26  -6.739   0.501  -5.896
  162    HG1  THR  26          1HG       THR  26  -5.793  -1.517  -7.646
  163   1HG2  THR  26          2HG2      THR  26  -4.567   0.636  -7.936
  164   2HG2  THR  26          3HG2      THR  26  -6.281   0.912  -8.349
  165   3HG2  THR  26          1HG2      THR  26  -5.466   1.955  -7.173
  166    H    GLY  27           HN       GLY  27  -5.895   1.445  -3.804
  167   1HA   GLY  27          1HA       GLY  27  -4.375   3.739  -4.578
  168   2HA   GLY  27          2HA       GLY  27  -5.292   3.484  -3.071
  169    H    CYS  28           HN       CYS  28  -4.077   1.549  -1.823
  170    HA   CYS  28           HA       CYS  28  -1.886   2.731  -0.442
  171   1HB   CYS  28          2HB       CYS  28  -3.568   1.159   0.378
  172   2HB   CYS  28          3HB       CYS  28  -2.894  -0.154  -0.566
  173    OH   TYR  29           OH       TYR  29   1.710  -6.569  -2.882
  174    H    TYR  29           HN       TYR  29  -2.107   0.190  -2.852
  175    HA   TYR  29           HA       TYR  29   0.620  -0.718  -2.590
  176   1HB   TYR  29          2HB       TYR  29  -1.811  -1.708  -3.710
  177   2HB   TYR  29          3HB       TYR  29  -0.792  -1.420  -5.099
  178    HD1  TYR  29           HD2      TYR  29  -1.368  -3.338  -2.064
  179    HD2  TYR  29           HD1      TYR  29   1.233  -2.848  -5.466
  180    HE1  TYR  29           HE2      TYR  29  -0.287  -5.503  -1.532
  181    HE2  TYR  29           HE1      TYR  29   2.259  -5.042  -4.974
  182    HH   TYR  29           HH       TYR  29   2.606  -6.553  -3.267
  183    H    MET  30           HN       MET  30  -1.239   1.034  -5.100
  184    HA   MET  30           HA       MET  30   0.761   1.720  -6.922
  185   1HB   MET  30          2HB       MET  30  -1.720   3.207  -6.020
  186   2HB   MET  30          3HB       MET  30  -0.713   3.730  -7.364
  187   1HG   MET  30          2HG       MET  30  -1.848   0.915  -7.273
  188   2HG   MET  30          3HG       MET  30  -2.752   2.278  -7.929
  189   1HE   MET  30          1HE       MET  30  -2.248   3.461 -10.093
  190   2HE   MET  30          2HE       MET  30  -0.614   3.951  -9.603
  191   3HE   MET  30          3HE       MET  30  -0.867   3.142 -11.163
  192    OH   TYR  31           OH       TYR  31   2.333   9.172   1.146
  193    H    TYR  31           HN       TYR  31  -0.144   3.271  -3.824
  194    HA   TYR  31           HA       TYR  31   1.549   5.513  -4.080
  195   1HB   TYR  31          2HB       TYR  31  -0.216   5.138  -2.310
  196   2HB   TYR  31          3HB       TYR  31   0.877   4.047  -1.494
  197    HD1  TYR  31           HD2      TYR  31   0.219   7.518  -2.458
  198    HD2  TYR  31           HD1      TYR  31   2.874   4.906  -0.285
  199    HE1  TYR  31           HE2      TYR  31   0.924   9.410  -1.041
  200    HE2  TYR  31           HE1      TYR  31   3.531   6.793   1.180
  201    HH   TYR  31           HH       TYR  31   3.249   9.474   1.242
  202    H    ILE  32           HN       ILE  32   2.303   2.529  -2.203
  203    HA   ILE  32           HA       ILE  32   5.078   3.045  -1.733
  204    HB   ILE  32           HB       ILE  32   3.365   0.569  -2.092
  205   1HG1  ILE  32          2HG1      ILE  32   5.015   1.153   0.321
  206   2HG1  ILE  32          3HG1      ILE  32   3.686   2.280   0.032
  207   1HG2  ILE  32          2HG2      ILE  32   6.339   0.514  -1.438
  208   2HG2  ILE  32          3HG2      ILE  32   5.220  -0.835  -1.239
  209   3HG2  ILE  32          1HG2      ILE  32   5.565  -0.228  -2.854
  210   1HD1  ILE  32          3HD1      ILE  32   3.255  -0.710  -0.129
  211   2HD1  ILE  32          1HD1      ILE  32   3.209   0.155   1.414
  212   3HD1  ILE  32          2HD1      ILE  32   2.085   0.602   0.104
  213    OH   TYR  33           OH       TYR  33   4.086  -1.859 -11.614
  214    H    TYR  33           HN       TYR  33   3.433   1.438  -4.368
  215    HA   TYR  33           HA       TYR  33   5.600   0.567  -5.830
  216   1HB   TYR  33          2HB       TYR  33   3.231  -0.089  -6.024
  217   2HB   TYR  33          3HB       TYR  33   2.877   1.519  -6.675
  218    HD1  TYR  33           HD2      TYR  33   5.588  -0.985  -7.437
  219    HD2  TYR  33           HD1      TYR  33   1.951   0.915  -8.770
  220    HE1  TYR  33           HE2      TYR  33   5.715  -2.229  -9.554
  221    HE2  TYR  33           HE1      TYR  33   2.055  -0.380 -10.868
  222    HH   TYR  33           HH       TYR  33   5.005  -1.725 -11.892
  223    H    SER  34           HN       SER  34   4.344   3.871  -5.574
  224    HA   SER  34           HA       SER  34   6.404   4.775  -7.555
  225   1HB   SER  34          2HB       SER  34   3.943   6.127  -6.404
  226   2HB   SER  34          3HB       SER  34   5.073   6.836  -7.578
  227    HG   SER  34           HG       SER  34   3.114   5.696  -8.419
  228    H    ASN  35           HN       ASN  35   5.715   4.672  -4.154
  229    HA   ASN  35           HA       ASN  35   7.315   7.124  -3.572
  230   1HB   ASN  35          2HB       ASN  35   5.330   5.469  -1.954
  231   2HB   ASN  35          3HB       ASN  35   6.447   6.571  -1.181
  232   1HD2  ASN  35          2HD2      ASN  35   3.480   8.269  -3.424
  233   2HD2  ASN  35          1HD2      ASN  35   3.898   6.569  -3.725
  234    H    CYS  36           HN       CYS  36   7.736   3.706  -3.554
  235    HA   CYS  36           HA       CYS  36   9.830   3.845  -1.434
  236   1HB   CYS  36          2HB       CYS  36   7.560   2.338  -1.476
  237   2HB   CYS  36          3HB       CYS  36   8.694   1.266  -2.337
  238    HA   PRO  37           HA       PRO  37  12.590   2.574  -4.752
  239   1HB   PRO  37          2HB       PRO  37  14.492   1.072  -3.413
  240   2HB   PRO  37          3HB       PRO  37  14.403   2.857  -3.365
  241   1HG   PRO  37          2HG       PRO  37  13.292   0.886  -1.361
  242   2HG   PRO  37          3HG       PRO  37  14.258   2.352  -1.035
  243   1HD   PRO  37          2HD       PRO  37  11.566   2.330  -0.835
  244   2HD   PRO  37          3HD       PRO  37  12.389   3.779  -1.451
  245    HA   PRO  38           HA       PRO  38  14.198   0.833  -5.840
  246   1HB   PRO  38          2HB       PRO  38  14.045  -0.684  -8.087
  247   2HB   PRO  38          3HB       PRO  38  14.520  -1.390  -6.527
  248   1HG   PRO  38          2HG       PRO  38  11.746  -1.407  -7.747
  249   2HG   PRO  38          3HG       PRO  38  12.682  -2.804  -7.144
  250   1HD   PRO  38          2HD       PRO  38  10.851  -1.524  -5.572
  251   2HD   PRO  38          3HD       PRO  38  12.365  -2.152  -4.887
  252    OH   TYR  39           OH       TYR  39   8.131  -3.096  -6.497
  253    H    TYR  39           HN       TYR  39  10.945   1.503  -6.140
  254    HA   TYR  39           HA       TYR  39  10.842   2.261  -8.924
  255   1HB   TYR  39          2HB       TYR  39   8.838   2.987  -6.783
  256   2HB   TYR  39          3HB       TYR  39   8.602   2.733  -8.502
  257    HD1  TYR  39           HD1      TYR  39   9.475   0.221  -9.284
  258    HD2  TYR  39           HD2      TYR  39   8.134   1.278  -5.324
  259    HE1  TYR  39           HE1      TYR  39   9.075  -2.159  -8.776
  260    HE2  TYR  39           HE2      TYR  39   7.714  -1.108  -4.834
  261    HH   TYR  39           HH       TYR  39   8.357  -3.663  -7.251
  262    H    VAL  40           HN       VAL  40  10.640   4.027  -5.800
  263    HA   VAL  40           HA       VAL  40  10.825   6.604  -7.039
  264    HB   VAL  40           HB       VAL  40   9.813   5.909  -4.755
  265   1HG1  VAL  40          3HG1      VAL  40  12.040   5.000  -3.852
  266   2HG1  VAL  40          1HG1      VAL  40  12.577   6.692  -3.766
  267   3HG1  VAL  40          2HG1      VAL  40  11.207   6.157  -2.799
  268   1HG2  VAL  40          1HG2      VAL  40  11.472   8.430  -5.080
  269   2HG2  VAL  40          2HG2      VAL  40   9.795   8.175  -5.628
  270   3HG2  VAL  40          3HG2      VAL  40  10.167   8.194  -3.891
   
  Start of MODEL          18
 Raw file had  270 H/Q atoms
  Start of MODEL   18
    1   1H    ASP   1          1HN       ASP   1  -9.121   4.467   9.811
    2   2H    ASP   1          2HN       ASP   1  -8.210   5.706   9.194
    3   3H    ASP   1          3HN       ASP   1  -9.778   5.459   8.669
    4    HA   ASP   1           HA       ASP   1  -9.150   3.351   7.777
    5   1HB   ASP   1          2HB       ASP   1  -8.895   5.353   6.355
    6   2HB   ASP   1          3HB       ASP   1  -7.183   5.227   6.775
    7    H    ALA   2           HN       ALA   2  -6.754   2.524   6.862
    8    HA   ALA   2           HA       ALA   2  -4.637   2.519   8.752
    9   1HB   ALA   2          3HB       ALA   2  -6.114   0.770   9.854
   10   2HB   ALA   2          1HB       ALA   2  -5.929  -0.207   8.373
   11   3HB   ALA   2          2HB       ALA   2  -4.503   0.235   9.319
   12    H    CYS   3           HN       CYS   3  -6.262   0.771   6.086
   13    HA   CYS   3           HA       CYS   3  -4.287  -0.233   4.510
   14   1HB   CYS   3          2HB       CYS   3  -6.642  -0.142   3.870
   15   2HB   CYS   3          3HB       CYS   3  -6.586   1.580   3.642
   16    H    GLU   4           HN       GLU   4  -5.315   3.181   4.201
   17    HA   GLU   4           HA       GLU   4  -2.970   3.781   2.594
   18   1HB   GLU   4          2HB       GLU   4  -3.435   6.160   2.924
   19   2HB   GLU   4          3HB       GLU   4  -4.763   5.204   2.260
   20   1HG   GLU   4          2HG       GLU   4  -6.122   5.491   4.093
   21   2HG   GLU   4          3HG       GLU   4  -4.777   5.631   5.228
   22    H    GLN   5           HN       GLN   5  -3.303   3.615   6.060
   23    HA   GLN   5           HA       GLN   5  -0.923   5.130   6.731
   24   1HB   GLN   5          2HB       GLN   5  -2.949   4.225   8.246
   25   2HB   GLN   5          3HB       GLN   5  -1.850   2.854   8.440
   26   1HG   GLN   5          2HG       GLN   5  -1.439   4.347  10.235
   27   2HG   GLN   5          3HG       GLN   5  -0.051   4.482   9.143
   28   1HE2  GLN   5          2HE2      GLN   5  -0.537   8.018   9.568
   29   2HE2  GLN   5          1HE2      GLN   5   0.496   6.652   9.882
   30    H    ALA   6           HN       ALA   6  -1.704   1.797   5.850
   31    HA   ALA   6           HA       ALA   6   0.791   0.562   6.195
   32   1HB   ALA   6          1HB       ALA   6  -1.677  -0.197   5.200
   33   2HB   ALA   6          2HB       ALA   6  -0.707  -0.152   3.720
   34   3HB   ALA   6          3HB       ALA   6  -0.221  -1.146   5.085
   35    H    ALA   7           HN       ALA   7  -0.505   2.406   3.401
   36    HA   ALA   7           HA       ALA   7   1.912   2.114   1.878
   37   1HB   ALA   7          2HB       ALA   7  -0.600   3.652   1.516
   38   2HB   ALA   7          3HB       ALA   7   0.857   4.161   0.612
   39   3HB   ALA   7          1HB       ALA   7   0.276   2.513   0.455
   40    H    ILE   8           HN       ILE   8   0.789   4.629   4.007
   41    HA   ILE   8           HA       ILE   8   2.960   6.432   3.791
   42    HB   ILE   8           HB       ILE   8   0.829   5.820   5.678
   43   1HG1  ILE   8          2HG1      ILE   8   1.044   8.189   6.266
   44   2HG1  ILE   8          3HG1      ILE   8   2.519   8.300   5.276
   45   1HG2  ILE   8          2HG2      ILE   8   3.449   6.519   6.989
   46   2HG2  ILE   8          3HG2      ILE   8   1.826   6.612   7.739
   47   3HG2  ILE   8          1HG2      ILE   8   2.493   5.051   7.274
   48   1HD1  ILE   8          1HD1      ILE   8  -0.191   7.360   4.265
   49   2HD1  ILE   8          2HD1      ILE   8   0.402   9.032   4.149
   50   3HD1  ILE   8          3HD1      ILE   8   1.241   7.720   3.279
   51    H    GLN   9           HN       GLN   9   2.771   3.302   5.514
   52    HA   GLN   9           HA       GLN   9   5.362   3.603   6.631
   53   1HB   GLN   9          2HB       GLN   9   3.513   2.111   7.468
   54   2HB   GLN   9          3HB       GLN   9   3.869   1.003   6.205
   55   1HG   GLN   9          2HG       GLN   9   4.816   0.512   8.429
   56   2HG   GLN   9          3HG       GLN   9   6.048   0.545   7.141
   57   1HE2  GLN   9          2HE2      GLN   9   7.913   3.218   8.524
   58   2HE2  GLN   9          1HE2      GLN   9   7.541   2.338   7.050
   59    H    CYS  10           HN       CYS  10   4.511   2.911   3.379
   60    HA   CYS  10           HA       CYS  10   5.767   2.603   1.571
   61   1HB   CYS  10          2HB       CYS  10   7.372   4.071   2.999
   62   2HB   CYS  10          3HB       CYS  10   8.339   2.612   3.180
   63    H    VAL  11           HN       VAL  11   4.575   0.389   2.588
   64    HA   VAL  11           HA       VAL  11   6.505  -1.793   2.087
   65    HB   VAL  11           HB       VAL  11   4.648  -2.655   4.032
   66   1HG1  VAL  11          3HG1      VAL  11   6.808  -3.712   3.570
   67   2HG1  VAL  11          1HG1      VAL  11   7.652  -2.269   4.167
   68   3HG1  VAL  11          2HG1      VAL  11   6.680  -3.255   5.278
   69   1HG2  VAL  11          2HG2      VAL  11   4.559  -0.318   4.740
   70   2HG2  VAL  11          3HG2      VAL  11   5.339  -1.372   5.959
   71   3HG2  VAL  11          1HG2      VAL  11   6.350  -0.335   4.926
   72    H    GLU  12           HN       GLU  12   5.625  -2.856   0.297
   73    HA   GLU  12           HA       GLU  12   2.838  -2.864  -0.408
   74   1HB   GLU  12          2HB       GLU  12   5.057  -4.855  -0.985
   75   2HB   GLU  12          3HB       GLU  12   3.395  -5.003  -1.589
   76   1HG   GLU  12          2HG       GLU  12   3.555  -3.092  -2.958
   77   2HG   GLU  12          3HG       GLU  12   5.026  -2.527  -2.161
   78    H    SER  13           HN       SER  13   4.844  -5.089   1.381
   79    HA   SER  13           HA       SER  13   2.531  -6.459   2.470
   80   1HB   SER  13          2HB       SER  13   5.441  -6.725   3.338
   81   2HB   SER  13          3HB       SER  13   4.109  -7.808   3.770
   82    HG   SER  13           HG       SER  13   5.273  -7.332   1.237
   83    H    ALA  14           HN       ALA  14   2.366  -3.753   2.926
   84    HA   ALA  14           HA       ALA  14   1.583  -4.079   5.754
   85   1HB   ALA  14          1HB       ALA  14   3.190  -2.190   5.680
   86   2HB   ALA  14          2HB       ALA  14   2.166  -1.384   4.462
   87   3HB   ALA  14          3HB       ALA  14   1.569  -1.718   6.112
   88    H    CYS  15           HN       CYS  15   0.988  -2.358   2.531
   89    HA   CYS  15           HA       CYS  15  -1.828  -2.112   2.870
   90   1HB   CYS  15          2HB       CYS  15  -0.189  -2.846   0.343
   91   2HB   CYS  15          3HB       CYS  15  -1.817  -2.185   0.337
   92    H    GLU  16           HN       GLU  16   0.117  -4.882   1.589
   93    HA   GLU  16           HA       GLU  16  -2.118  -6.187   0.580
   94   1HB   GLU  16          2HB       GLU  16  -0.699  -7.887  -0.011
   95   2HB   GLU  16          3HB       GLU  16   0.421  -6.581   0.233
   96   1HG   GLU  16          2HG       GLU  16   1.536  -8.239   1.270
   97   2HG   GLU  16          3HG       GLU  16   0.647  -7.680   2.688
   98    H    SER  17           HN       SER  17  -0.658  -6.382   3.790
   99    HA   SER  17           HA       SER  17  -2.528  -8.339   4.850
  100   1HB   SER  17          2HB       SER  17  -1.174  -7.594   6.974
  101   2HB   SER  17          3HB       SER  17  -0.370  -8.505   5.691
  102    HG   SER  17           HG       SER  17  -0.389  -5.672   5.638
  103    H    LEU  18           HN       LEU  18  -2.950  -5.048   4.204
  104    HA   LEU  18           HA       LEU  18  -4.521  -4.558   6.697
  105   1HB   LEU  18          2HB       LEU  18  -2.118  -3.821   6.776
  106   2HB   LEU  18          3HB       LEU  18  -2.454  -2.750   5.392
  107    HG   LEU  18           HG       LEU  18  -3.787  -1.328   6.612
  108   1HD1  LEU  18          2HD1      LEU  18  -3.777  -3.554   8.739
  109   2HD1  LEU  18          3HD1      LEU  18  -4.191  -1.909   9.187
  110   3HD1  LEU  18          1HD1      LEU  18  -5.198  -2.769   8.020
  111   1HD2  LEU  18          3HD2      LEU  18  -1.311  -1.222   7.069
  112   2HD2  LEU  18          1HD2      LEU  18  -2.279  -0.611   8.415
  113   3HD2  LEU  18          2HD2      LEU  18  -1.551  -2.238   8.469
  114    H    CYS  19           HN       CYS  19  -4.325  -4.215   3.316
  115    HA   CYS  19           HA       CYS  19  -6.767  -2.562   3.213
  116   1HB   CYS  19          2HB       CYS  19  -4.857  -3.333   0.967
  117   2HB   CYS  19          3HB       CYS  19  -6.293  -2.296   0.771
  118    H    THR  20           HN       THR  20  -8.455  -3.749   1.843
  119    HA   THR  20           HA       THR  20  -8.141  -6.686   1.976
  120    HB   THR  20           HB       THR  20 -10.361  -5.019   0.723
  121    HG1  THR  20          1HG       THR  20 -10.491  -4.938   2.911
  122   1HG2  THR  20          2HG2      THR  20 -10.024  -8.035   1.148
  123   2HG2  THR  20          3HG2      THR  20 -11.540  -7.226   0.699
  124   3HG2  THR  20          1HG2      THR  20 -10.180  -7.227  -0.423
  125    H    GLU  21           HN       GLU  21  -9.214  -5.087  -0.985
  126    HA   GLU  21           HA       GLU  21  -6.983  -4.995  -2.594
  127   1HB   GLU  21          2HB       GLU  21  -6.707  -7.454  -2.356
  128   2HB   GLU  21          3HB       GLU  21  -8.407  -7.687  -2.793
  129   1HG   GLU  21          2HG       GLU  21  -7.877  -6.795  -5.047
  130   2HG   GLU  21          3HG       GLU  21  -6.220  -6.456  -4.547
  131    H    GLY  22           HN       GLY  22  -7.672  -4.294  -4.731
  132   1HA   GLY  22          1HA       GLY  22  -9.136  -3.879  -6.391
  133   2HA   GLY  22          2HA       GLY  22 -10.482  -4.609  -5.487
  134    H    GLU  23           HN       GLU  23  -8.286  -1.970  -5.682
  135    HA   GLU  23           HA       GLU  23  -8.664   0.269  -5.837
  136   1HB   GLU  23          2HB       GLU  23 -10.579   1.377  -5.495
  137   2HB   GLU  23          3HB       GLU  23 -11.238  -0.237  -5.728
  138   1HG   GLU  23          2HG       GLU  23 -11.201  -0.374  -3.100
  139   2HG   GLU  23          3HG       GLU  23 -10.878   1.349  -3.158
  140    H    ASP  24           HN       ASP  24  -9.354  -1.463  -2.846
  141    HA   ASP  24           HA       ASP  24  -8.412   0.539  -1.092
  142   1HB   ASP  24          2HB       ASP  24  -9.799  -1.628  -0.527
  143   2HB   ASP  24          3HB       ASP  24  -8.321  -2.488  -0.493
  144    NH1  ARG  25           NH2      ARG  25  -2.548  -8.277  -2.080
  145    NH2  ARG  25           NH1      ARG  25  -3.217  -8.763   0.074
  146    H    ARG  25           HN       ARG  25  -6.949  -2.593  -1.940
  147    HA   ARG  25           HA       ARG  25  -4.355  -1.989  -1.055
  148   1HB   ARG  25          2HB       ARG  25  -5.280  -3.788  -3.351
  149   2HB   ARG  25          3HB       ARG  25  -3.576  -3.493  -3.036
  150   1HG   ARG  25          2HG       ARG  25  -3.755  -4.269  -0.731
  151   2HG   ARG  25          3HG       ARG  25  -5.474  -4.636  -0.972
  152   1HD   ARG  25          2HD       ARG  25  -4.730  -6.191  -2.885
  153   2HD   ARG  25          3HD       ARG  25  -3.064  -5.784  -2.449
  154    HE   ARG  25           HE       ARG  25  -4.802  -6.789  -0.292
  155   1HH1  ARG  25          2HH2      ARG  25  -2.715  -7.789  -2.962
  156   2HH1  ARG  25          1HH2      ARG  25  -1.679  -8.810  -2.030
  157   1HH2  ARG  25          2HH1      ARG  25  -3.728  -8.496   0.909
  158   2HH2  ARG  25          1HH1      ARG  25  -2.460  -9.431   0.211
  159    H    THR  26           HN       THR  26  -5.925  -1.588  -4.361
  160    HA   THR  26           HA       THR  26  -3.733  -0.866  -5.684
  161    HB   THR  26           HB       THR  26  -6.352   0.500  -6.287
  162    HG1  THR  26          1HG       THR  26  -6.054  -2.256  -6.735
  163   1HG2  THR  26          1HG2      THR  26  -4.270  -1.099  -7.883
  164   2HG2  THR  26          2HG2      THR  26  -5.786  -0.506  -8.567
  165   3HG2  THR  26          3HG2      THR  26  -4.577   0.645  -7.963
  166    H    GLY  27           HN       GLY  27  -5.922   1.578  -4.123
  167   1HA   GLY  27          1HA       GLY  27  -4.351   3.830  -4.875
  168   2HA   GLY  27          2HA       GLY  27  -5.477   3.761  -3.510
  169    H    CYS  28           HN       CYS  28  -3.923   1.492  -2.266
  170    HA   CYS  28           HA       CYS  28  -1.997   3.091  -0.730
  171   1HB   CYS  28          2HB       CYS  28  -3.601   1.572   0.249
  172   2HB   CYS  28          3HB       CYS  28  -2.938   0.179  -0.582
  173    OH   TYR  29           OH       TYR  29   1.661  -6.605  -3.640
  174    H    TYR  29           HN       TYR  29  -1.830   0.001  -2.407
  175    HA   TYR  29           HA       TYR  29   0.845  -0.495  -2.528
  176   1HB   TYR  29          2HB       TYR  29  -1.534  -1.603  -3.547
  177   2HB   TYR  29          3HB       TYR  29  -0.684  -1.179  -4.994
  178    HD1  TYR  29           HD1      TYR  29   1.469  -2.462  -5.547
  179    HD2  TYR  29           HD2      TYR  29  -0.894  -3.251  -2.024
  180    HE1  TYR  29           HE1      TYR  29   2.376  -4.773  -5.432
  181    HE2  TYR  29           HE2      TYR  29  -0.017  -5.557  -1.943
  182    HH   TYR  29           HH       TYR  29   2.402  -6.771  -4.245
  183    H    MET  30           HN       MET  30  -1.147   1.281  -4.981
  184    HA   MET  30           HA       MET  30   0.833   1.829  -6.842
  185   1HB   MET  30          2HB       MET  30  -1.632   3.412  -6.110
  186   2HB   MET  30          3HB       MET  30  -0.503   3.914  -7.367
  187   1HG   MET  30          2HG       MET  30  -0.798   1.493  -8.347
  188   2HG   MET  30          3HG       MET  30  -2.254   1.459  -7.398
  189   1HE   MET  30          2HE       MET  30  -4.104   3.480  -7.598
  190   2HE   MET  30          3HE       MET  30  -2.869   4.763  -7.729
  191   3HE   MET  30          1HE       MET  30  -4.127   4.606  -8.977
  192    OH   TYR  31           OH       TYR  31   5.188   8.547   0.455
  193    H    TYR  31           HN       TYR  31   0.333   3.480  -3.710
  194    HA   TYR  31           HA       TYR  31   2.097   5.696  -4.380
  195   1HB   TYR  31          2HB       TYR  31   0.485   5.954  -2.557
  196   2HB   TYR  31          3HB       TYR  31   1.103   4.549  -1.721
  197    HD1  TYR  31           HD2      TYR  31   1.725   8.109  -2.456
  198    HD2  TYR  31           HD1      TYR  31   3.156   4.602  -0.411
  199    HE1  TYR  31           HE2      TYR  31   3.324   9.501  -1.179
  200    HE2  TYR  31           HE1      TYR  31   4.836   5.969   0.764
  201    HH   TYR  31           HH       TYR  31   5.013   9.495   0.519
  202    H    ILE  32           HN       ILE  32   2.613   2.807  -2.313
  203    HA   ILE  32           HA       ILE  32   5.386   3.066  -1.948
  204    HB   ILE  32           HB       ILE  32   3.616   0.624  -2.337
  205   1HG1  ILE  32          2HG1      ILE  32   4.854   1.272   0.268
  206   2HG1  ILE  32          3HG1      ILE  32   3.610   2.422  -0.233
  207   1HG2  ILE  32          1HG2      ILE  32   6.466   0.651  -1.268
  208   2HG2  ILE  32          2HG2      ILE  32   5.353  -0.678  -1.125
  209   3HG2  ILE  32          3HG2      ILE  32   5.899  -0.179  -2.735
  210   1HD1  ILE  32          1HD1      ILE  32   3.170  -0.567  -0.332
  211   2HD1  ILE  32          2HD1      ILE  32   2.848   0.397   1.119
  212   3HD1  ILE  32          3HD1      ILE  32   1.990   0.762  -0.411
  213    OH   TYR  33           OH       TYR  33   3.693  -1.926 -11.713
  214    H    TYR  33           HN       TYR  33   3.581   1.542  -4.513
  215    HA   TYR  33           HA       TYR  33   5.576   0.392  -6.061
  216   1HB   TYR  33          2HB       TYR  33   3.170  -0.044  -5.984
  217   2HB   TYR  33          3HB       TYR  33   2.895   1.511  -6.763
  218    HD1  TYR  33           HD2      TYR  33   4.629  -1.775  -7.259
  219    HD2  TYR  33           HD1      TYR  33   2.587   1.560  -9.072
  220    HE1  TYR  33           HE2      TYR  33   4.704  -2.928  -9.456
  221    HE2  TYR  33           HE1      TYR  33   2.597   0.387 -11.238
  222    HH   TYR  33           HH       TYR  33   4.179  -2.763 -11.734
  223    H    SER  34           HN       SER  34   4.775   3.814  -5.836
  224    HA   SER  34           HA       SER  34   7.063   4.184  -7.715
  225   1HB   SER  34          2HB       SER  34   4.384   5.589  -7.667
  226   2HB   SER  34          3HB       SER  34   5.837   6.425  -8.203
  227    HG   SER  34           HG       SER  34   6.230   4.646  -9.641
  228    H    ASN  35           HN       ASN  35   6.203   4.497  -4.542
  229    HA   ASN  35           HA       ASN  35   7.841   6.998  -4.128
  230   1HB   ASN  35          2HB       ASN  35   5.634   5.709  -2.471
  231   2HB   ASN  35          3HB       ASN  35   6.771   6.869  -1.832
  232   1HD2  ASN  35          2HD2      ASN  35   4.045   8.237  -4.609
  233   2HD2  ASN  35          1HD2      ASN  35   4.437   6.519  -4.528
  234    H    CYS  36           HN       CYS  36   7.934   3.612  -3.786
  235    HA   CYS  36           HA       CYS  36  10.020   3.725  -1.657
  236   1HB   CYS  36          2HB       CYS  36   7.578   2.455  -1.591
  237   2HB   CYS  36          3HB       CYS  36   8.638   1.168  -2.195
  238    HA   PRO  37           HA       PRO  37  12.496   1.801  -4.854
  239   1HB   PRO  37          2HB       PRO  37  14.155   0.098  -3.463
  240   2HB   PRO  37          3HB       PRO  37  14.362   1.865  -3.558
  241   1HG   PRO  37          2HG       PRO  37  13.015   0.294  -1.343
  242   2HG   PRO  37          3HG       PRO  37  14.226   1.591  -1.188
  243   1HD   PRO  37          2HD       PRO  37  11.593   2.067  -0.906
  244   2HD   PRO  37          3HD       PRO  37  12.624   3.262  -1.734
  245    HA   PRO  38           HA       PRO  38  13.693   0.215  -5.979
  246   1HB   PRO  38          2HB       PRO  38  13.874  -1.677  -7.846
  247   2HB   PRO  38          3HB       PRO  38  14.195  -2.078  -6.144
  248   1HG   PRO  38          2HG       PRO  38  11.611  -2.525  -7.675
  249   2HG   PRO  38          3HG       PRO  38  12.510  -3.701  -6.678
  250   1HD   PRO  38          2HD       PRO  38  10.385  -2.154  -5.747
  251   2HD   PRO  38          3HD       PRO  38  11.678  -2.773  -4.694
  252    OH   TYR  39           OH       TYR  39   6.899  -3.408  -6.389
  253    H    TYR  39           HN       TYR  39  10.978   1.404  -6.120
  254    HA   TYR  39           HA       TYR  39  10.429   1.528  -9.039
  255   1HB   TYR  39          2HB       TYR  39   8.649   2.441  -6.775
  256   2HB   TYR  39          3HB       TYR  39   8.285   2.136  -8.469
  257    HD1  TYR  39           HD1      TYR  39   8.306  -0.244  -9.315
  258    HD2  TYR  39           HD2      TYR  39   8.337   0.724  -5.130
  259    HE1  TYR  39           HE1      TYR  39   7.279  -2.451  -8.775
  260    HE2  TYR  39           HE2      TYR  39   7.346  -1.464  -4.611
  261    HH   TYR  39           HH       TYR  39   6.667  -3.520  -5.454
  262    H    VAL  40           HN       VAL  40  10.845   3.471  -6.095
  263    HA   VAL  40           HA       VAL  40  10.195   5.961  -7.231
  264    HB   VAL  40           HB       VAL  40  10.078   5.307  -4.886
  265   1HG1  VAL  40          2HG1      VAL  40  12.345   4.169  -4.705
  266   2HG1  VAL  40          3HG1      VAL  40  13.074   5.777  -4.656
  267   3HG1  VAL  40          1HG1      VAL  40  11.956   5.281  -3.380
  268   1HG2  VAL  40          3HG2      VAL  40  10.024   7.695  -5.489
  269   2HG2  VAL  40          1HG2      VAL  40  10.740   7.433  -3.886
  270   3HG2  VAL  40          2HG2      VAL  40  11.791   7.777  -5.271
   
  Start of MODEL          19
 Raw file had  270 H/Q atoms
  Start of MODEL   19
    1   1H    ASP   1          2HN       ASP   1  -7.424   6.097   6.306
    2   2H    ASP   1          3HN       ASP   1  -7.517   5.120   4.996
    3   3H    ASP   1          1HN       ASP   1  -8.922   5.693   5.719
    4    HA   ASP   1           HA       ASP   1  -8.493   4.469   7.670
    5   1HB   ASP   1          2HB       ASP   1  -9.558   3.390   5.556
    6   2HB   ASP   1          3HB       ASP   1  -8.074   2.460   5.628
    7    H    ALA   2           HN       ALA   2  -7.145   2.097   7.862
    8    HA   ALA   2           HA       ALA   2  -4.407   2.831   8.480
    9   1HB   ALA   2          3HB       ALA   2  -5.885   0.217   8.327
   10   2HB   ALA   2          1HB       ALA   2  -4.108   0.291   8.584
   11   3HB   ALA   2          2HB       ALA   2  -5.199   1.040   9.743
   12    H    CYS   3           HN       CYS   3  -5.971   1.465   5.580
   13    HA   CYS   3           HA       CYS   3  -3.895   0.604   4.052
   14   1HB   CYS   3          2HB       CYS   3  -6.324   2.259   3.457
   15   2HB   CYS   3          3HB       CYS   3  -5.146   1.986   2.159
   16    H    GLU   4           HN       GLU   4  -4.823   4.108   4.204
   17    HA   GLU   4           HA       GLU   4  -2.565   5.143   2.919
   18   1HB   GLU   4          2HB       GLU   4  -4.750   6.194   4.523
   19   2HB   GLU   4          3HB       GLU   4  -3.272   6.808   5.228
   20   1HG   GLU   4          2HG       GLU   4  -4.077   8.372   3.619
   21   2HG   GLU   4          3HG       GLU   4  -2.557   7.690   3.037
   22    H    GLN   5           HN       GLN   5  -2.883   4.485   6.403
   23    HA   GLN   5           HA       GLN   5  -0.294   5.404   7.061
   24   1HB   GLN   5          2HB       GLN   5  -2.261   5.021   8.621
   25   2HB   GLN   5          3HB       GLN   5  -1.997   3.286   8.463
   26   1HG   GLN   5          2HG       GLN   5  -1.075   3.948  10.516
   27   2HG   GLN   5          3HG       GLN   5   0.299   3.599   9.457
   28   1HE2  GLN   5          2HE2      GLN   5   1.118   6.670  11.326
   29   2HE2  GLN   5          1HE2      GLN   5   1.132   4.902  11.450
   30    H    ALA   6           HN       ALA   6  -1.392   2.244   5.973
   31    HA   ALA   6           HA       ALA   6   1.005   0.698   6.463
   32   1HB   ALA   6          1HB       ALA   6  -1.464   0.422   4.730
   33   2HB   ALA   6          2HB       ALA   6  -0.071  -0.586   4.415
   34   3HB   ALA   6          3HB       ALA   6  -0.850  -0.617   6.013
   35    H    ALA   7           HN       ALA   7  -0.317   2.484   3.647
   36    HA   ALA   7           HA       ALA   7   2.004   2.042   2.098
   37   1HB   ALA   7          2HB       ALA   7  -0.353   3.868   1.820
   38   2HB   ALA   7          3HB       ALA   7   1.013   3.861   0.652
   39   3HB   ALA   7          1HB       ALA   7   0.086   2.398   0.932
   40    H    ILE   8           HN       ILE   8   1.189   4.671   4.229
   41    HA   ILE   8           HA       ILE   8   3.308   6.436   3.665
   42    HB   ILE   8           HB       ILE   8   1.369   5.991   5.789
   43   1HG1  ILE   8          2HG1      ILE   8   1.756   8.463   6.157
   44   2HG1  ILE   8          3HG1      ILE   8   2.990   8.378   4.888
   45   1HG2  ILE   8          1HG2      ILE   8   4.053   6.847   6.859
   46   2HG2  ILE   8          2HG2      ILE   8   2.487   6.944   7.694
   47   3HG2  ILE   8          3HG2      ILE   8   3.155   5.365   7.294
   48   1HD1  ILE   8          1HD1      ILE   8   1.220   7.476   3.338
   49   2HD1  ILE   8          2HD1      ILE   8   0.040   7.657   4.662
   50   3HD1  ILE   8          3HD1      ILE   8   0.842   9.093   3.983
   51    H    GLN   9           HN       GLN   9   3.256   3.449   5.622
   52    HA   GLN   9           HA       GLN   9   5.896   3.916   6.557
   53   1HB   GLN   9          2HB       GLN   9   4.108   2.520   7.695
   54   2HB   GLN   9          3HB       GLN   9   4.417   1.244   6.554
   55   1HG   GLN   9          2HG       GLN   9   5.567   0.980   8.756
   56   2HG   GLN   9          3HG       GLN   9   6.727   1.005   7.424
   57   1HE2  GLN   9          2HE2      GLN   9   6.416   4.262   9.998
   58   2HE2  GLN   9          1HE2      GLN   9   5.154   3.034   9.911
   59    H    CYS  10           HN       CYS  10   4.908   2.909   3.469
   60    HA   CYS  10           HA       CYS  10   6.164   2.472   1.668
   61   1HB   CYS  10          2HB       CYS  10   7.800   3.953   3.063
   62   2HB   CYS  10          3HB       CYS  10   8.696   2.461   3.290
   63    H    VAL  11           HN       VAL  11   4.886   0.388   2.721
   64    HA   VAL  11           HA       VAL  11   6.681  -1.939   2.490
   65    HB   VAL  11           HB       VAL  11   4.645  -2.559   4.322
   66   1HG1  VAL  11          1HG1      VAL  11   6.721  -3.797   4.035
   67   2HG1  VAL  11          2HG1      VAL  11   7.620  -2.433   4.735
   68   3HG1  VAL  11          3HG1      VAL  11   6.443  -3.319   5.718
   69   1HG2  VAL  11          3HG2      VAL  11   4.675  -0.185   4.938
   70   2HG2  VAL  11          1HG2      VAL  11   5.324  -1.216   6.242
   71   3HG2  VAL  11          2HG2      VAL  11   6.448  -0.298   5.217
   72    H    GLU  12           HN       GLU  12   5.863  -2.863   0.646
   73    HA   GLU  12           HA       GLU  12   3.174  -2.714  -0.395
   74   1HB   GLU  12          2HB       GLU  12   5.398  -4.747  -0.721
   75   2HB   GLU  12          3HB       GLU  12   3.799  -4.992  -1.421
   76   1HG   GLU  12          2HG       GLU  12   3.997  -2.893  -2.713
   77   2HG   GLU  12          3HG       GLU  12   5.638  -2.668  -2.054
   78    H    SER  13           HN       SER  13   4.786  -5.048   1.630
   79    HA   SER  13           HA       SER  13   2.475  -6.671   1.917
   80   1HB   SER  13          2HB       SER  13   4.023  -7.500   4.002
   81   2HB   SER  13          3HB       SER  13   4.459  -7.884   2.331
   82    HG   SER  13           HG       SER  13   6.207  -6.923   3.528
   83    H    ALA  14           HN       ALA  14   3.156  -3.694   3.420
   84    HA   ALA  14           HA       ALA  14   1.332  -4.212   5.650
   85   1HB   ALA  14          2HB       ALA  14   2.840  -2.261   5.721
   86   2HB   ALA  14          3HB       ALA  14   1.938  -1.528   4.376
   87   3HB   ALA  14          1HB       ALA  14   1.130  -1.891   5.926
   88    H    CYS  15           HN       CYS  15   1.027  -2.546   2.351
   89    HA   CYS  15           HA       CYS  15  -1.758  -2.223   2.532
   90   1HB   CYS  15          2HB       CYS  15   0.006  -2.814   0.081
   91   2HB   CYS  15          3HB       CYS  15  -1.659  -2.250   0.014
   92    H    GLU  16           HN       GLU  16   0.105  -4.973   1.180
   93    HA   GLU  16           HA       GLU  16  -1.996  -6.494   0.177
   94   1HB   GLU  16          2HB       GLU  16   0.573  -6.859   0.122
   95   2HB   GLU  16          3HB       GLU  16   0.370  -7.730   1.649
   96   1HG   GLU  16          2HG       GLU  16  -1.057  -8.394  -0.974
   97   2HG   GLU  16          3HG       GLU  16   0.446  -9.137  -0.431
   98    H    SER  17           HN       SER  17  -0.640  -6.539   3.493
   99    HA   SER  17           HA       SER  17  -2.684  -8.378   4.457
  100   1HB   SER  17          2HB       SER  17  -1.504  -8.203   6.565
  101   2HB   SER  17          3HB       SER  17  -0.373  -8.441   5.223
  102    HG   SER  17           HG       SER  17  -0.104  -6.094   5.221
  103    H    LEU  18           HN       LEU  18  -2.507  -4.942   4.111
  104    HA   LEU  18           HA       LEU  18  -4.225  -4.404   6.412
  105   1HB   LEU  18          2HB       LEU  18  -2.210  -2.932   5.241
  106   2HB   LEU  18          3HB       LEU  18  -3.598  -2.167   4.519
  107    HG   LEU  18           HG       LEU  18  -3.139  -0.938   6.378
  108   1HD1  LEU  18          2HD1      LEU  18  -5.431  -2.834   7.005
  109   2HD1  LEU  18          3HD1      LEU  18  -4.912  -1.684   8.169
  110   3HD1  LEU  18          1HD1      LEU  18  -5.439  -1.141   6.539
  111   1HD2  LEU  18          1HD2      LEU  18  -1.496  -2.582   7.385
  112   2HD2  LEU  18          2HD2      LEU  18  -2.511  -1.738   8.565
  113   3HD2  LEU  18          3HD2      LEU  18  -2.884  -3.408   8.127
  114    H    CYS  19           HN       CYS  19  -4.214  -3.671   2.938
  115    HA   CYS  19           HA       CYS  19  -6.967  -2.740   2.929
  116   1HB   CYS  19          2HB       CYS  19  -4.942  -3.029   0.686
  117   2HB   CYS  19          3HB       CYS  19  -6.508  -2.139   0.619
  118    H    THR  20           HN       THR  20  -8.628  -4.059   1.858
  119    HA   THR  20           HA       THR  20  -8.000  -6.839   2.046
  120    HB   THR  20           HB       THR  20 -10.495  -5.484   0.932
  121    HG1  THR  20          1HG       THR  20  -9.815  -6.713   3.409
  122   1HG2  THR  20          3HG2      THR  20  -9.763  -8.374   1.567
  123   2HG2  THR  20          1HG2      THR  20 -11.443  -7.784   1.403
  124   3HG2  THR  20          2HG2      THR  20 -10.332  -7.729   0.017
  125    H    GLU  21           HN       GLU  21  -9.271  -5.234  -0.839
  126    HA   GLU  21           HA       GLU  21  -7.524  -5.234  -2.768
  127   1HB   GLU  21          2HB       GLU  21  -7.003  -7.682  -2.401
  128   2HB   GLU  21          3HB       GLU  21  -8.681  -8.058  -2.791
  129   1HG   GLU  21          2HG       GLU  21  -8.249  -7.623  -5.083
  130   2HG   GLU  21          3HG       GLU  21  -7.042  -6.415  -4.718
  131    H    GLY  22           HN       GLY  22  -8.608  -4.657  -4.722
  132   1HA   GLY  22          1HA       GLY  22 -10.759  -5.183  -5.992
  133   2HA   GLY  22          2HA       GLY  22 -11.599  -4.554  -4.571
  134    H    GLU  23           HN       GLU  23  -9.851  -2.612  -3.778
  135    HA   GLU  23           HA       GLU  23  -9.299  -0.676  -5.871
  136   1HB   GLU  23          2HB       GLU  23 -10.995   0.932  -5.295
  137   2HB   GLU  23          3HB       GLU  23 -11.761  -0.561  -5.813
  138   1HG   GLU  23          2HG       GLU  23 -12.039  -1.145  -3.325
  139   2HG   GLU  23          3HG       GLU  23 -11.535   0.520  -2.970
  140    H    ASP  24           HN       ASP  24  -9.929  -1.258  -2.335
  141    HA   ASP  24           HA       ASP  24  -8.663   1.013  -1.462
  142   1HB   ASP  24          2HB       ASP  24 -10.020  -0.975  -0.216
  143   2HB   ASP  24          3HB       ASP  24  -8.490  -1.627   0.023
  144    NH1  ARG  25           NH2      ARG  25  -4.016  -8.566  -2.401
  145    NH2  ARG  25           NH1      ARG  25  -4.101  -8.756  -0.088
  146    H    ARG  25           HN       ARG  25  -7.392  -2.307  -1.843
  147    HA   ARG  25           HA       ARG  25  -4.693  -1.880  -1.324
  148   1HB   ARG  25          2HB       ARG  25  -6.046  -3.649  -3.405
  149   2HB   ARG  25          3HB       ARG  25  -4.288  -3.469  -3.370
  150   1HG   ARG  25          2HG       ARG  25  -4.204  -4.124  -1.004
  151   2HG   ARG  25          3HG       ARG  25  -5.955  -4.472  -1.060
  152   1HD   ARG  25          2HD       ARG  25  -5.406  -6.110  -2.934
  153   2HD   ARG  25          3HD       ARG  25  -3.691  -5.757  -2.670
  154    HE   ARG  25           HE       ARG  25  -4.953  -6.423  -0.186
  155   1HH1  ARG  25          2HH2      ARG  25  -4.313  -8.097  -3.254
  156   2HH1  ARG  25          1HH2      ARG  25  -3.624  -9.501  -2.490
  157   1HH2  ARG  25          2HH1      ARG  25  -4.186  -8.301   0.820
  158   2HH2  ARG  25          1HH1      ARG  25  -3.610  -9.649  -0.090
  159    H    THR  26           HN       THR  26  -6.373  -1.412  -4.486
  160    HA   THR  26           HA       THR  26  -4.244  -0.836  -6.028
  161    HB   THR  26           HB       THR  26  -6.842   0.760  -6.149
  162    HG1  THR  26          1HG       THR  26  -7.611  -0.949  -7.306
  163   1HG2  THR  26          3HG2      THR  26  -4.773   0.061  -8.248
  164   2HG2  THR  26          1HG2      THR  26  -6.357   0.826  -8.569
  165   3HG2  THR  26          2HG2      THR  26  -5.152   1.670  -7.614
  166    H    GLY  27           HN       GLY  27  -5.941   1.826  -4.227
  167   1HA   GLY  27          1HA       GLY  27  -4.107   3.854  -4.897
  168   2HA   GLY  27          2HA       GLY  27  -5.097   3.793  -3.420
  169    H    CYS  28           HN       CYS  28  -4.149   1.769  -2.003
  170    HA   CYS  28           HA       CYS  28  -1.955   2.894  -0.600
  171   1HB   CYS  28          2HB       CYS  28  -3.741   1.392   0.255
  172   2HB   CYS  28          3HB       CYS  28  -3.041   0.035  -0.617
  173    OH   TYR  29           OH       TYR  29   2.104  -6.166  -2.987
  174    H    TYR  29           HN       TYR  29  -2.184   0.241  -2.854
  175    HA   TYR  29           HA       TYR  29   0.510  -0.681  -2.628
  176   1HB   TYR  29          2HB       TYR  29  -1.904  -1.640  -3.754
  177   2HB   TYR  29          3HB       TYR  29  -0.939  -1.296  -5.160
  178    HD1  TYR  29           HD1      TYR  29   1.377  -2.382  -5.339
  179    HD2  TYR  29           HD2      TYR  29  -1.536  -3.510  -2.361
  180    HE1  TYR  29           HE1      TYR  29   2.597  -4.482  -4.923
  181    HE2  TYR  29           HE2      TYR  29  -0.236  -5.570  -1.869
  182    HH   TYR  29           HH       TYR  29   2.989  -6.000  -3.348
  183    H    MET  30           HN       MET  30  -1.272   1.083  -5.196
  184    HA   MET  30           HA       MET  30   0.721   1.735  -6.997
  185   1HB   MET  30          2HB       MET  30  -1.659   3.343  -6.032
  186   2HB   MET  30          3HB       MET  30  -0.625   3.855  -7.355
  187   1HG   MET  30          2HG       MET  30  -1.641   1.047  -7.554
  188   2HG   MET  30          3HG       MET  30  -2.856   2.321  -7.656
  189   1HE   MET  30          3HE       MET  30  -3.013   4.134  -9.322
  190   2HE   MET  30          1HE       MET  30  -1.338   4.703  -9.233
  191   3HE   MET  30          2HE       MET  30  -2.038   4.283 -10.800
  192    OH   TYR  31           OH       TYR  31   3.229   8.542   1.536
  193    H    TYR  31           HN       TYR  31  -0.071   3.376  -3.920
  194    HA   TYR  31           HA       TYR  31   1.789   5.500  -4.200
  195   1HB   TYR  31          2HB       TYR  31  -0.005   5.322  -2.448
  196   2HB   TYR  31          3HB       TYR  31   0.911   4.068  -1.653
  197    HD1  TYR  31           HD1      TYR  31   3.259   4.623  -0.700
  198    HD2  TYR  31           HD2      TYR  31   0.276   7.544  -1.781
  199    HE1  TYR  31           HE1      TYR  31   4.209   6.189   0.932
  200    HE2  TYR  31           HE2      TYR  31   1.086   9.004   0.030
  201    HH   TYR  31           HH       TYR  31   2.685   9.339   1.648
  202    H    ILE  32           HN       ILE  32   2.352   2.521  -2.221
  203    HA   ILE  32           HA       ILE  32   5.128   2.953  -1.824
  204    HB   ILE  32           HB       ILE  32   3.358   0.500  -1.989
  205   1HG1  ILE  32          2HG1      ILE  32   4.976   1.346   0.378
  206   2HG1  ILE  32          3HG1      ILE  32   3.587   2.377  -0.030
  207   1HG2  ILE  32          2HG2      ILE  32   6.343   0.495  -1.352
  208   2HG2  ILE  32          3HG2      ILE  32   5.232  -0.800  -0.946
  209   3HG2  ILE  32          1HG2      ILE  32   5.524  -0.409  -2.644
  210   1HD1  ILE  32          1HD1      ILE  32   3.268  -0.610   0.124
  211   2HD1  ILE  32          2HD1      ILE  32   3.201   0.396   1.584
  212   3HD1  ILE  32          3HD1      ILE  32   2.081   0.692   0.222
  213    OH   TYR  33           OH       TYR  33   2.934  -2.567 -11.308
  214    H    TYR  33           HN       TYR  33   3.447   1.205  -4.321
  215    HA   TYR  33           HA       TYR  33   5.473   0.086  -5.823
  216   1HB   TYR  33          2HB       TYR  33   3.043  -0.338  -5.858
  217   2HB   TYR  33          3HB       TYR  33   2.794   1.257  -6.570
  218    HD1  TYR  33           HD2      TYR  33   4.481  -2.036  -7.100
  219    HD2  TYR  33           HD1      TYR  33   2.249   1.196  -8.849
  220    HE1  TYR  33           HE2      TYR  33   4.399  -3.249  -9.258
  221    HE2  TYR  33           HE1      TYR  33   1.862  -0.172 -10.856
  222    HH   TYR  33           HH       TYR  33   2.197  -2.209 -11.824
  223    H    SER  34           HN       SER  34   4.327   3.493  -5.733
  224    HA   SER  34           HA       SER  34   6.616   4.211  -7.528
  225   1HB   SER  34          2HB       SER  34   3.818   5.394  -7.250
  226   2HB   SER  34          3HB       SER  34   5.190   6.143  -8.059
  227    HG   SER  34           HG       SER  34   5.340   4.132  -9.314
  228    H    ASN  35           HN       ASN  35   6.087   4.158  -4.472
  229    HA   ASN  35           HA       ASN  35   7.448   6.804  -3.901
  230   1HB   ASN  35          2HB       ASN  35   5.305   5.298  -2.352
  231   2HB   ASN  35          3HB       ASN  35   6.368   6.410  -1.583
  232   1HD2  ASN  35          2HD2      ASN  35   3.473   7.964  -4.022
  233   2HD2  ASN  35          1HD2      ASN  35   3.946   6.267  -4.183
  234    H    CYS  36           HN       CYS  36   7.865   3.439  -3.750
  235    HA   CYS  36           HA       CYS  36   9.895   3.715  -1.588
  236   1HB   CYS  36          2HB       CYS  36   7.572   2.296  -1.456
  237   2HB   CYS  36          3HB       CYS  36   8.660   1.084  -2.181
  238    HA   PRO  37           HA       PRO  37  12.739   2.429  -4.575
  239   1HB   PRO  37          2HB       PRO  37  14.889   1.618  -3.138
  240   2HB   PRO  37          3HB       PRO  37  14.303   3.311  -3.180
  241   1HG   PRO  37          2HG       PRO  37  13.751   1.227  -1.055
  242   2HG   PRO  37          3HG       PRO  37  14.289   2.917  -0.820
  243   1HD   PRO  37          2HD       PRO  37  11.685   2.128  -0.669
  244   2HD   PRO  37          3HD       PRO  37  12.126   3.750  -1.284
  245    HA   PRO  38           HA       PRO  38  14.494   1.314  -5.636
  246   1HB   PRO  38          2HB       PRO  38  15.050  -0.364  -7.659
  247   2HB   PRO  38          3HB       PRO  38  15.596  -0.732  -6.006
  248   1HG   PRO  38          2HG       PRO  38  13.094  -1.792  -7.373
  249   2HG   PRO  38          3HG       PRO  38  14.385  -2.716  -6.555
  250   1HD   PRO  38          2HD       PRO  38  12.057  -1.956  -5.281
  251   2HD   PRO  38          3HD       PRO  38  13.606  -2.134  -4.438
  252    OH   TYR  39           OH       TYR  39   8.823  -3.987  -5.222
  253    H    TYR  39           HN       TYR  39  11.320   1.267  -5.754
  254    HA   TYR  39           HA       TYR  39  10.882   1.455  -8.646
  255   1HB   TYR  39          2HB       TYR  39   8.763   1.972  -6.582
  256   2HB   TYR  39          3HB       TYR  39   8.685   1.262  -8.182
  257    HD1  TYR  39           HD1      TYR  39  10.413  -1.004  -8.236
  258    HD2  TYR  39           HD2      TYR  39   8.069   0.487  -4.938
  259    HE1  TYR  39           HE1      TYR  39  10.201  -3.300  -7.344
  260    HE2  TYR  39           HE2      TYR  39   7.812  -1.815  -4.086
  261    HH   TYR  39           HH       TYR  39   8.018  -4.057  -4.682
  262    H    VAL  40           HN       VAL  40   9.893   3.443  -5.885
  263    HA   VAL  40           HA       VAL  40   9.075   5.550  -5.894
  264    HB   VAL  40           HB       VAL  40  10.943   7.286  -5.997
  265   1HG1  VAL  40          2HG1      VAL  40  11.208   4.879  -4.171
  266   2HG1  VAL  40          3HG1      VAL  40  11.954   6.463  -3.909
  267   3HG1  VAL  40          1HG1      VAL  40  10.195   6.322  -3.926
  268   1HG2  VAL  40          1HG2      VAL  40  12.501   6.083  -7.453
  269   2HG2  VAL  40          2HG2      VAL  40  13.227   6.434  -5.873
  270   3HG2  VAL  40          3HG2      VAL  40  12.680   4.788  -6.228
   
  Start of MODEL          20
 Raw file had  270 H/Q atoms
  Start of MODEL   20
    1   1H    ASP   1          2HN       ASP   1  -9.652   0.396   7.414
    2   2H    ASP   1          3HN       ASP   1 -10.635   1.589   6.765
    3   3H    ASP   1          1HN       ASP   1  -9.486   0.870   5.854
    4    HA   ASP   1           HA       ASP   1  -8.719   2.991   6.403
    5   1HB   ASP   1          2HB       ASP   1 -10.127   2.944   8.605
    6   2HB   ASP   1          3HB       ASP   1  -8.554   2.455   9.240
    7    H    ALA   2           HN       ALA   2  -6.605   3.202   8.133
    8    HA   ALA   2           HA       ALA   2  -4.471   2.817   8.474
    9   1HB   ALA   2          3HB       ALA   2  -5.106   0.852   9.706
   10   2HB   ALA   2          1HB       ALA   2  -5.191  -0.065   8.183
   11   3HB   ALA   2          2HB       ALA   2  -3.619   0.532   8.775
   12    H    CYS   3           HN       CYS   3  -5.766   1.300   5.615
   13    HA   CYS   3           HA       CYS   3  -3.771   0.564   4.004
   14   1HB   CYS   3          2HB       CYS   3  -6.109   2.448   3.473
   15   2HB   CYS   3          3HB       CYS   3  -5.008   2.029   2.167
   16    H    GLU   4           HN       GLU   4  -4.598   4.072   4.333
   17    HA   GLU   4           HA       GLU   4  -2.459   4.890   2.632
   18   1HB   GLU   4          2HB       GLU   4  -3.879   6.450   4.837
   19   2HB   GLU   4          3HB       GLU   4  -2.837   7.103   3.577
   20   1HG   GLU   4          2HG       GLU   4  -4.658   5.566   2.099
   21   2HG   GLU   4          3HG       GLU   4  -5.674   6.207   3.393
   22    H    GLN   5           HN       GLN   5  -2.608   4.191   6.077
   23    HA   GLN   5           HA       GLN   5  -0.099   5.459   6.754
   24   1HB   GLN   5          2HB       GLN   5  -1.490   3.274   8.345
   25   2HB   GLN   5          3HB       GLN   5  -0.388   4.536   8.897
   26   1HG   GLN   5          2HG       GLN   5  -2.151   6.237   8.231
   27   2HG   GLN   5          3HG       GLN   5  -3.260   4.904   7.890
   28   1HE2  GLN   5          2HE2      GLN   5  -1.997   5.401  11.823
   29   2HE2  GLN   5          1HE2      GLN   5  -1.078   6.069  10.478
   30    H    ALA   6           HN       ALA   6  -1.204   2.164   5.913
   31    HA   ALA   6           HA       ALA   6   1.278   0.785   6.356
   32   1HB   ALA   6          1HB       ALA   6  -1.066   0.278   4.462
   33   2HB   ALA   6          2HB       ALA   6   0.296  -0.808   4.653
   34   3HB   ALA   6          3HB       ALA   6  -0.756  -0.463   6.043
   35    H    ALA   7           HN       ALA   7  -0.151   2.483   3.540
   36    HA   ALA   7           HA       ALA   7   2.154   2.005   1.919
   37   1HB   ALA   7          2HB       ALA   7  -0.262   3.733   1.608
   38   2HB   ALA   7          3HB       ALA   7   1.097   3.748   0.431
   39   3HB   ALA   7          1HB       ALA   7   0.252   2.252   0.767
   40    H    ILE   8           HN       ILE   8   1.317   4.741   3.896
   41    HA   ILE   8           HA       ILE   8   3.600   6.342   3.416
   42    HB   ILE   8           HB       ILE   8   1.518   6.062   5.432
   43   1HG1  ILE   8          2HG1      ILE   8   2.097   8.469   5.867
   44   2HG1  ILE   8          3HG1      ILE   8   3.386   8.304   4.655
   45   1HG2  ILE   8          2HG2      ILE   8   3.346   5.295   6.963
   46   2HG2  ILE   8          3HG2      ILE   8   4.119   6.874   6.693
   47   3HG2  ILE   8          1HG2      ILE   8   2.496   6.741   7.412
   48   1HD1  ILE   8          1HD1      ILE   8   1.655   7.640   2.984
   49   2HD1  ILE   8          2HD1      ILE   8   0.404   7.844   4.245
   50   3HD1  ILE   8          3HD1      ILE   8   1.336   9.248   3.682
   51    H    GLN   9           HN       GLN   9   3.196   3.408   5.407
   52    HA   GLN   9           HA       GLN   9   5.761   3.557   6.590
   53   1HB   GLN   9          2HB       GLN   9   3.703   2.291   7.395
   54   2HB   GLN   9          3HB       GLN   9   4.078   1.056   6.233
   55   1HG   GLN   9          2HG       GLN   9   4.786   0.588   8.508
   56   2HG   GLN   9          3HG       GLN   9   6.151   0.527   7.363
   57   1HE2  GLN   9          2HE2      GLN   9   5.996   3.563  10.155
   58   2HE2  GLN   9          1HE2      GLN   9   4.480   2.802   9.672
   59    H    CYS  10           HN       CYS  10   4.876   2.629   3.386
   60    HA   CYS  10           HA       CYS  10   6.193   2.177   1.611
   61   1HB   CYS  10          2HB       CYS  10   7.850   3.607   3.137
   62   2HB   CYS  10          3HB       CYS  10   8.692   2.078   3.333
   63    H    VAL  11           HN       VAL  11   4.862   0.088   2.824
   64    HA   VAL  11           HA       VAL  11   6.689  -2.192   2.467
   65    HB   VAL  11           HB       VAL  11   4.805  -2.949   4.308
   66   1HG1  VAL  11          1HG1      VAL  11   7.776  -2.308   4.624
   67   2HG1  VAL  11          2HG1      VAL  11   6.820  -3.279   5.761
   68   3HG1  VAL  11          3HG1      VAL  11   7.063  -3.851   4.109
   69   1HG2  VAL  11          3HG2      VAL  11   4.511  -0.575   4.842
   70   2HG2  VAL  11          1HG2      VAL  11   5.240  -1.489   6.193
   71   3HG2  VAL  11          2HG2      VAL  11   6.280  -0.471   5.172
   72    H    GLU  12           HN       GLU  12   5.832  -3.033   0.573
   73    HA   GLU  12           HA       GLU  12   3.163  -2.556  -0.350
   74   1HB   GLU  12          2HB       GLU  12   5.273  -3.153  -1.673
   75   2HB   GLU  12          3HB       GLU  12   4.899  -4.841  -1.283
   76   1HG   GLU  12          2HG       GLU  12   2.711  -4.559  -2.432
   77   2HG   GLU  12          3HG       GLU  12   3.069  -2.844  -2.739
   78    H    SER  13           HN       SER  13   4.618  -5.113   1.508
   79    HA   SER  13           HA       SER  13   2.163  -6.676   1.527
   80   1HB   SER  13          2HB       SER  13   4.133  -7.251   3.662
   81   2HB   SER  13          3HB       SER  13   3.407  -8.330   2.479
   82    HG   SER  13           HG       SER  13   4.887  -7.500   0.934
   83    H    ALA  14           HN       ALA  14   3.089  -3.868   3.248
   84    HA   ALA  14           HA       ALA  14   1.571  -4.469   5.652
   85   1HB   ALA  14          1HB       ALA  14   2.330  -1.769   4.495
   86   2HB   ALA  14          2HB       ALA  14   1.550  -2.087   6.056
   87   3HB   ALA  14          3HB       ALA  14   3.174  -2.693   5.758
   88    H    CYS  15           HN       CYS  15   0.905  -2.606   2.558
   89    HA   CYS  15           HA       CYS  15  -1.878  -2.191   2.864
   90   1HB   CYS  15          2HB       CYS  15  -0.295  -3.081   0.379
   91   2HB   CYS  15          3HB       CYS  15  -1.897  -2.352   0.371
   92    H    GLU  16           HN       GLU  16  -0.127  -5.069   1.559
   93    HA   GLU  16           HA       GLU  16  -2.441  -6.192   0.589
   94   1HB   GLU  16          2HB       GLU  16  -1.229  -7.936  -0.074
   95   2HB   GLU  16          3HB       GLU  16   0.111  -6.876   0.347
   96   1HG   GLU  16          2HG       GLU  16   0.264  -8.037   2.572
   97   2HG   GLU  16          3HG       GLU  16  -1.069  -9.099   2.088
   98    H    SER  17           HN       SER  17  -1.102  -6.628   3.869
   99    HA   SER  17           HA       SER  17  -3.630  -7.921   4.734
  100   1HB   SER  17          2HB       SER  17  -2.107  -8.434   6.794
  101   2HB   SER  17          3HB       SER  17  -2.085  -9.437   5.352
  102    HG   SER  17           HG       SER  17  -0.147  -8.802   4.852
  103    H    LEU  18           HN       LEU  18  -3.577  -5.207   4.131
  104    HA   LEU  18           HA       LEU  18  -4.665  -4.380   6.760
  105   1HB   LEU  18          2HB       LEU  18  -2.703  -2.826   5.084
  106   2HB   LEU  18          3HB       LEU  18  -4.200  -1.982   5.329
  107    HG   LEU  18           HG       LEU  18  -2.965  -1.130   6.872
  108   1HD1  LEU  18          1HD1      LEU  18  -5.181  -2.160   7.808
  109   2HD1  LEU  18          2HD1      LEU  18  -4.183  -3.399   8.563
  110   3HD1  LEU  18          3HD1      LEU  18  -3.951  -1.746   9.045
  111   1HD2  LEU  18          1HD2      LEU  18  -1.024  -2.614   6.891
  112   2HD2  LEU  18          2HD2      LEU  18  -1.533  -2.146   8.523
  113   3HD2  LEU  18          3HD2      LEU  18  -1.924  -3.767   7.908
  114    H    CYS  19           HN       CYS  19  -4.471  -3.676   3.317
  115    HA   CYS  19           HA       CYS  19  -7.121  -2.592   3.205
  116   1HB   CYS  19          2HB       CYS  19  -5.056  -3.225   1.085
  117   2HB   CYS  19          3HB       CYS  19  -6.609  -2.338   0.818
  118    H    THR  20           HN       THR  20  -8.735  -3.577   1.687
  119    HA   THR  20           HA       THR  20  -8.855  -6.449   1.751
  120    HB   THR  20           HB       THR  20 -10.465  -4.457   0.094
  121    HG1  THR  20          1HG       THR  20 -11.323  -5.925   2.310
  122   1HG2  THR  20          2HG2      THR  20 -10.737  -7.449   0.628
  123   2HG2  THR  20          3HG2      THR  20 -12.071  -6.423   0.050
  124   3HG2  THR  20          1HG2      THR  20 -10.648  -6.684  -0.956
  125    H    GLU  21           HN       GLU  21  -9.231  -5.021  -1.438
  126    HA   GLU  21           HA       GLU  21  -7.022  -5.331  -2.905
  127   1HB   GLU  21          2HB       GLU  21  -6.721  -7.707  -2.174
  128   2HB   GLU  21          3HB       GLU  21  -8.370  -8.065  -2.696
  129   1HG   GLU  21          2HG       GLU  21  -7.770  -7.775  -5.002
  130   2HG   GLU  21          3HG       GLU  21  -6.300  -6.881  -4.591
  131    H    GLY  22           HN       GLY  22  -7.767  -4.370  -4.776
  132   1HA   GLY  22          1HA       GLY  22  -9.513  -4.947  -6.604
  133   2HA   GLY  22          2HA       GLY  22 -10.672  -4.468  -5.344
  134    H    GLU  23           HN       GLU  23  -9.465  -2.575  -4.059
  135    HA   GLU  23           HA       GLU  23  -8.764  -0.212  -5.744
  136   1HB   GLU  23          2HB       GLU  23 -11.424  -0.717  -4.399
  137   2HB   GLU  23          3HB       GLU  23 -10.794   0.903  -4.617
  138   1HG   GLU  23          2HG       GLU  23 -11.106  -0.942  -7.010
  139   2HG   GLU  23          3HG       GLU  23 -12.416   0.075  -6.414
  140    H    ASP  24           HN       ASP  24  -9.772  -1.608  -2.538
  141    HA   ASP  24           HA       ASP  24  -8.729   0.505  -0.975
  142   1HB   ASP  24          2HB       ASP  24 -10.155  -1.756  -0.395
  143   2HB   ASP  24          3HB       ASP  24  -8.620  -2.453  -0.156
  144    NH1  ARG  25           NH2      ARG  25  -3.502  -8.533  -2.038
  145    NH2  ARG  25           NH1      ARG  25  -4.109  -8.984   0.137
  146    H    ARG  25           HN       ARG  25  -7.302  -2.619  -1.934
  147    HA   ARG  25           HA       ARG  25  -4.682  -1.943  -0.988
  148   1HB   ARG  25          2HB       ARG  25  -5.528  -3.807  -3.250
  149   2HB   ARG  25          3HB       ARG  25  -3.843  -3.480  -2.858
  150   1HG   ARG  25          2HG       ARG  25  -4.101  -4.213  -0.561
  151   2HG   ARG  25          3HG       ARG  25  -5.819  -4.589  -0.850
  152   1HD   ARG  25          2HD       ARG  25  -4.949  -6.166  -2.710
  153   2HD   ARG  25          3HD       ARG  25  -3.326  -5.832  -2.099
  154    HE   ARG  25           HE       ARG  25  -5.274  -6.709  -0.068
  155   1HH1  ARG  25          2HH2      ARG  25  -3.455  -7.913  -2.853
  156   2HH1  ARG  25          1HH2      ARG  25  -3.309  -9.523  -2.195
  157   1HH2  ARG  25          2HH1      ARG  25  -4.377  -8.637   1.056
  158   2HH2  ARG  25          1HH1      ARG  25  -3.567  -9.845   0.075
  159    H    THR  26           HN       THR  26  -6.211  -1.657  -4.297
  160    HA   THR  26           HA       THR  26  -4.089  -0.947  -5.668
  161    HB   THR  26           HB       THR  26  -6.706   0.514  -6.080
  162    HG1  THR  26          1HG       THR  26  -7.514  -1.422  -6.852
  163   1HG2  THR  26          2HG2      THR  26  -4.681  -0.794  -7.941
  164   2HG2  THR  26          3HG2      THR  26  -6.219  -0.054  -8.440
  165   3HG2  THR  26          1HG2      THR  26  -4.934   0.946  -7.724
  166    H    GLY  27           HN       GLY  27  -5.975   1.560  -3.794
  167   1HA   GLY  27          1HA       GLY  27  -4.306   3.735  -4.696
  168   2HA   GLY  27          2HA       GLY  27  -5.246   3.718  -3.194
  169    H    CYS  28           HN       CYS  28  -4.129   1.681  -1.814
  170    HA   CYS  28           HA       CYS  28  -1.915   2.852  -0.499
  171   1HB   CYS  28          2HB       CYS  28  -3.625   1.352   0.423
  172   2HB   CYS  28          3HB       CYS  28  -2.969  -0.012  -0.464
  173    OH   TYR  29           OH       TYR  29   0.601  -6.912  -3.628
  174    H    TYR  29           HN       TYR  29  -2.183   0.172  -2.737
  175    HA   TYR  29           HA       TYR  29   0.518  -0.732  -2.688
  176   1HB   TYR  29          2HB       TYR  29  -1.961  -1.622  -3.743
  177   2HB   TYR  29          3HB       TYR  29  -1.035  -1.239  -5.184
  178    HD1  TYR  29           HD2      TYR  29  -0.319  -2.821  -1.865
  179    HD2  TYR  29           HD1      TYR  29  -0.338  -3.250  -6.144
  180    HE1  TYR  29           HE2      TYR  29   0.227  -5.223  -1.614
  181    HE2  TYR  29           HE1      TYR  29   0.143  -5.661  -5.900
  182    HH   TYR  29           HH       TYR  29   0.959  -7.147  -2.758
  183    H    MET  30           HN       MET  30  -1.355   1.097  -5.160
  184    HA   MET  30           HA       MET  30   0.704   1.632  -6.966
  185   1HB   MET  30          2HB       MET  30  -1.783   3.195  -6.243
  186   2HB   MET  30          3HB       MET  30  -0.739   3.597  -7.608
  187   1HG   MET  30          2HG       MET  30  -2.133   0.892  -7.317
  188   2HG   MET  30          3HG       MET  30  -2.710   2.272  -8.235
  189   1HE   MET  30          1HE       MET  30   0.349  -0.309  -7.935
  190   2HE   MET  30          2HE       MET  30  -1.163  -1.068  -8.494
  191   3HE   MET  30          3HE       MET  30   0.215  -0.903  -9.602
  192    OH   TYR  31           OH       TYR  31   4.222   8.390   0.946
  193    H    TYR  31           HN       TYR  31  -0.176   3.475  -4.003
  194    HA   TYR  31           HA       TYR  31   1.719   5.556  -4.393
  195   1HB   TYR  31          2HB       TYR  31   0.068   5.623  -2.592
  196   2HB   TYR  31          3HB       TYR  31   0.783   4.221  -1.824
  197    HD1  TYR  31           HD1      TYR  31   3.043   4.368  -0.688
  198    HD2  TYR  31           HD2      TYR  31   0.937   7.836  -2.169
  199    HE1  TYR  31           HE1      TYR  31   4.480   5.815   0.666
  200    HE2  TYR  31           HE2      TYR  31   2.277   9.263  -0.657
  201    HH   TYR  31           HH       TYR  31   3.789   9.222   1.184
  202    H    ILE  32           HN       ILE  32   2.213   2.558  -2.450
  203    HA   ILE  32           HA       ILE  32   4.954   3.031  -1.865
  204    HB   ILE  32           HB       ILE  32   3.443   0.423  -2.297
  205   1HG1  ILE  32          2HG1      ILE  32   4.055   1.969   0.266
  206   2HG1  ILE  32          3HG1      ILE  32   2.473   1.905  -0.538
  207   1HG2  ILE  32          2HG2      ILE  32   6.035   0.199  -2.338
  208   2HG2  ILE  32          3HG2      ILE  32   5.966   0.686  -0.632
  209   3HG2  ILE  32          1HG2      ILE  32   5.158  -0.782  -1.207
  210   1HD1  ILE  32          1HD1      ILE  32   2.507  -0.555  -0.380
  211   2HD1  ILE  32          2HD1      ILE  32   4.021  -0.402   0.561
  212   3HD1  ILE  32          3HD1      ILE  32   2.515   0.150   1.237
  213    OH   TYR  33           OH       TYR  33   3.876  -2.327 -11.530
  214    H    TYR  33           HN       TYR  33   3.383   1.340  -4.453
  215    HA   TYR  33           HA       TYR  33   5.535   0.194  -5.824
  216   1HB   TYR  33          2HB       TYR  33   3.137  -0.365  -5.910
  217   2HB   TYR  33          3HB       TYR  33   2.827   1.183  -6.697
  218    HD1  TYR  33           HD2      TYR  33   4.245  -2.223  -7.013
  219    HD2  TYR  33           HD1      TYR  33   3.359   1.454  -9.083
  220    HE1  TYR  33           HE2      TYR  33   4.325  -3.422  -9.185
  221    HE2  TYR  33           HE1      TYR  33   3.423   0.256 -11.241
  222    HH   TYR  33           HH       TYR  33   3.412  -1.824 -12.215
  223    H    SER  34           HN       SER  34   4.301   3.509  -5.778
  224    HA   SER  34           HA       SER  34   6.296   4.359  -7.831
  225   1HB   SER  34          2HB       SER  34   3.654   5.579  -6.918
  226   2HB   SER  34          3HB       SER  34   4.793   6.170  -8.126
  227    HG   SER  34           HG       SER  34   4.412   4.033  -9.202
  228    H    ASN  35           HN       ASN  35   6.137   4.207  -4.669
  229    HA   ASN  35           HA       ASN  35   7.494   6.881  -4.191
  230   1HB   ASN  35          2HB       ASN  35   5.457   5.370  -2.516
  231   2HB   ASN  35          3HB       ASN  35   6.603   6.444  -1.786
  232   1HD2  ASN  35          2HD2      ASN  35   3.684   8.103  -4.141
  233   2HD2  ASN  35          1HD2      ASN  35   4.051   6.375  -4.267
  234    H    CYS  36           HN       CYS  36   7.556   3.456  -3.449
  235    HA   CYS  36           HA       CYS  36   9.584   3.786  -1.360
  236   1HB   CYS  36          2HB       CYS  36   7.418   2.236  -1.438
  237   2HB   CYS  36          3HB       CYS  36   8.556   1.163  -2.304
  238    HA   PRO  37           HA       PRO  37  12.695   2.788  -4.389
  239   1HB   PRO  37          2HB       PRO  37  14.759   1.810  -2.893
  240   2HB   PRO  37          3HB       PRO  37  14.255   3.521  -2.849
  241   1HG   PRO  37          2HG       PRO  37  13.539   1.335  -0.891
  242   2HG   PRO  37          3HG       PRO  37  14.077   2.997  -0.534
  243   1HD   PRO  37          2HD       PRO  37  11.459   2.165  -0.596
  244   2HD   PRO  37          3HD       PRO  37  11.890   3.852  -0.955
  245    HA   PRO  38           HA       PRO  38  14.423   1.480  -5.466
  246   1HB   PRO  38          2HB       PRO  38  14.631  -0.045  -7.666
  247   2HB   PRO  38          3HB       PRO  38  15.178  -0.657  -6.076
  248   1HG   PRO  38          2HG       PRO  38  12.498  -1.179  -7.417
  249   2HG   PRO  38          3HG       PRO  38  13.632  -2.390  -6.756
  250   1HD   PRO  38          2HD       PRO  38  11.533  -1.423  -5.291
  251   2HD   PRO  38          3HD       PRO  38  13.087  -1.864  -4.544
  252    OH   TYR  39           OH       TYR  39   8.310  -3.595  -6.077
  253    H    TYR  39           HN       TYR  39  11.069   1.367  -5.841
  254    HA   TYR  39           HA       TYR  39  10.902   2.046  -8.649
  255   1HB   TYR  39          2HB       TYR  39   8.665   2.473  -6.663
  256   2HB   TYR  39          3HB       TYR  39   8.628   1.995  -8.348
  257    HD1  TYR  39           HD1      TYR  39  10.213  -0.358  -8.627
  258    HD2  TYR  39           HD2      TYR  39   7.910   0.841  -5.186
  259    HE1  TYR  39           HE1      TYR  39   9.960  -2.720  -7.962
  260    HE2  TYR  39           HE2      TYR  39   7.482  -1.538  -4.645
  261    HH   TYR  39           HH       TYR  39   8.442  -4.109  -6.890
  262    H    VAL  40           HN       VAL  40   9.826   3.804  -5.753
  263    HA   VAL  40           HA       VAL  40   9.457   5.992  -5.390
  264    HB   VAL  40           HB       VAL  40  11.884   6.835  -6.885
  265   1HG1  VAL  40          1HG1      VAL  40  10.373   8.361  -5.485
  266   2HG1  VAL  40          2HG1      VAL  40  10.938   7.496  -4.064
  267   3HG1  VAL  40          3HG1      VAL  40  12.093   8.397  -5.067
  268   1HG2  VAL  40          1HG2      VAL  40  11.920   5.222  -4.288
  269   2HG2  VAL  40          2HG2      VAL  40  12.751   4.805  -5.806
  270   3HG2  VAL  40          3HG2      VAL  40  13.279   6.202  -4.869
   
   
  No H/Q in entry =         270