*HEADER    HYDROLASE                               02-JUL-14   2MR9              
*TITLE     NMR STRUCTURE OF UBA DOMAIN OF DNA-DAMAGE-INDUCIBLE 1 PROTEIN (DDI1)  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA DAMAGE-INDUCIBLE PROTEIN 1;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBIQUITIN ASSOCIATED DOMAIN, UNP RESIDUES 389-428;         
*COMPND   5 SYNONYM: V-SNARE-MASTER 1;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 559292;                                              
*SOURCE   5 STRAIN: ATCC 204508 / S288C;                                         
*SOURCE   6 GENE: DDI1, VSM1, YER143W;                                           
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PGEX 4T2                                   
*KEYWDS    DNA-DAMAGE-INDUCIBLE 1 PROTEIN, UBIQUITIN ASSOCIATED DOMAIN, DDI1,    
*KEYWDS   2 UBA, HYDROLASE                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    D.ZHANG, D.FUSHMAN                                                    
*REVDAT   1   04-FEB-15 2MR9    0                                                


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! pred_uba_mod.tab
!
! settings: min phiError=None, min psiError=None, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -60  29 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -98  52 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -64  19 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -53  10 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -65  15 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -63   5 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -58  10 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -72  28 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -78  30 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -61  10 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -63   9 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -70  25 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -105  48 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -62  15 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -50  23 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -65  27 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -67  16 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -62  14 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -59  12 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -60   8 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -63  16 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -65  11 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -61  14 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -89  37 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0  58  10 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0  80  42 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -63  84 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -68  43 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -64  10 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -67  16 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -61   7 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -61  11 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -67  19 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -65  16 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -63   9 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -69  26 2

! Talos derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 -36  22 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 120  66 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 138  42 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -42  18 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -36  27 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -43   6 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -45  10 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -42   8 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -31  24 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -41  16 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -36  29 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -26  37 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 113  70 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 147  17 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -40  24 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 -26  47 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -41  10 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -46  19 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -42  11 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -42  19 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 -42  11 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -44  16 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -34  25 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0  -8  41 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0  37  24 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0   5  28 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 129  84 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -21  43 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -36  13 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -43  10 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 -41  12 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 -33  28 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 -39  10 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 -44   8 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -30  28 2

! dihedral angle file generated by Csi2Aria.py

! CSI derived hbond restraint:
assign (resid  41 and name N) (resid  36: 38 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  41 and name HN) (resid  36: 38 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  42 and name N) (resid  37: 39 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  42 and name HN) (resid  37: 39 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  43 and name N) (resid  38: 40 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  43 and name HN) (resid  38: 40 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  44 and name N) (resid  39: 41 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  44 and name HN) (resid  39: 41 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  45 and name N) (resid  40: 42 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  45 and name HN) (resid  40: 42 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  46 and name N) (resid  41: 43 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  46 and name HN) (resid  41: 43 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  47 and name N) (resid  42: 44 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  47 and name HN) (resid  42: 44 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  48 and name N) (resid  43: 45 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  48 and name HN) (resid  43: 45 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  49 and name N) (resid  44: 46 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:
assign (resid  49 and name HN) (resid  44: 46 and name O) 2.2 1.0 0.0 

!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    7 and name N )
     ( resid    7 and name HN )  -3.510   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    8 and name N )
     ( resid    8 and name HN )  -4.296   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    9 and name N )
     ( resid    9 and name HN )  -1.433   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   10 and name N )
     ( resid   10 and name HN )  -3.482   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   11 and name N )
     ( resid   11 and name HN )  -5.850   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   12 and name N )
     ( resid   12 and name HN )  -3.030   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   13 and name N )
     ( resid   13 and name HN )  -1.739   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   14 and name N )
     ( resid   14 and name HN )  -4.350   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   20 and name N )
     ( resid   20 and name HN )   3.782   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   21 and name N )
     ( resid   21 and name HN )   2.582   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   22 and name N )
     ( resid   22 and name HN )   1.312   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   23 and name N )
     ( resid   23 and name HN )   4.233   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   24 and name N )
     ( resid   24 and name HN )   4.310   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   25 and name N )
     ( resid   25 and name HN )   1.941   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   26 and name N )
     ( resid   26 and name HN )   2.182   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   27 and name N )
     ( resid   27 and name HN )   4.500   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   28 and name N )
     ( resid   28 and name HN )   2.334   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   29 and name N )
     ( resid   29 and name HN )   1.472   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   30 and name N )
     ( resid   30 and name HN )   3.586   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   34 and name N )
     ( resid   34 and name HN )  -6.158   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   35 and name N )
     ( resid   35 and name HN )  -2.018   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   36 and name N )
     ( resid   36 and name HN )  -4.623   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   37 and name N )
     ( resid   37 and name HN )  -5.859   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   38 and name N )
     ( resid   38 and name HN )  -4.074   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   39 and name N )
     ( resid   39 and name HN )  -1.659   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   40 and name N )
     ( resid   40 and name HN )  -6.046   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   41 and name N )
     ( resid   41 and name HN )  -4.524   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   42 and name N )
     ( resid   42 and name HN )  -1.069   0.200

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1 -18.150   0.044  -2.962
    2    H2   GLY   1           2HT      GLY   1 -18.733   1.577  -2.535
    3    H3   GLY   1           3HT      GLY   1 -18.098   0.550  -1.348
    4    HA2  GLY   1           1HA      GLY   1 -16.556   1.702  -3.604
    5    HA3  GLY   1           2HA      GLY   1 -16.545   2.327  -1.958
    6    H    SER   2           H        SER   2 -15.478  -0.206  -4.084
    7    HA   SER   2           HA       SER   2 -14.209  -1.726  -1.997
    8    HB2  SER   2           2HB      SER   2 -13.208  -2.959  -3.993
    9    HB3  SER   2           1HB      SER   2 -14.969  -2.986  -3.863
   10    HG   SER   2           HG       SER   2 -13.314  -1.673  -5.698
   11    H    ALA   3           H        ALA   3 -12.988   0.010  -1.076
   12    HA   ALA   3           HA       ALA   3 -10.614   0.771  -2.639
   13    HB1  ALA   3           1HB      ALA   3 -11.818   2.124  -0.220
   14    HB2  ALA   3           2HB      ALA   3 -11.954   2.672  -1.893
   15    HB3  ALA   3           3HB      ALA   3 -10.382   2.660  -1.094
   16    H    THR   4           H        THR   4  -9.439  -1.099  -2.224
   17    HA   THR   4           HA       THR   4  -9.001  -2.087   0.393
   18    HB   THR   4           HB       THR   4  -7.069  -2.657  -1.767
   19    HG1  THR   4           1HG      THR   4  -9.099  -2.682  -2.843
   20   HG21  THR   4          3HG2      THR   4  -7.239  -4.937  -0.895
   21   HG22  THR   4          1HG2      THR   4  -8.513  -4.427   0.211
   22   HG23  THR   4          2HG2      THR   4  -6.877  -3.795   0.401
   23    H    PHE   5           H        PHE   5  -7.734   0.266  -1.439
   24    HA   PHE   5           HA       PHE   5  -5.404   0.612   0.216
   25    HB2  PHE   5           2HB      PHE   5  -5.752   1.697  -2.498
   26    HB3  PHE   5           1HB      PHE   5  -4.296   1.374  -1.641
   27    HD1  PHE   5           1HD      PHE   5  -4.171  -0.753  -0.882
   28    HD2  PHE   5           2HD      PHE   5  -6.514   0.084  -4.169
   29    HE1  PHE   5           1HE      PHE   5  -4.109  -3.001  -1.415
   30    HE2  PHE   5           2HE      PHE   5  -6.432  -2.337  -4.813
   31    HZ   PHE   5           HZ       PHE   5  -5.143  -3.878  -3.269
   32    HA   PRO   6           HA       PRO   6  -7.757   4.080   1.557
   33    HB2  PRO   6           2HB      PRO   6  -6.742   4.100   4.017
   34    HB3  PRO   6           1HB      PRO   6  -7.872   2.892   3.450
   35    HG2  PRO   6           2HG      PRO   6  -5.076   2.621   3.974
   36    HG3  PRO   6           1HG      PRO   6  -6.361   1.421   3.988
   37    HD2  PRO   6           2HD      PRO   6  -4.499   1.997   1.928
   38    HD3  PRO   6           1HD      PRO   6  -5.752   0.769   1.913
   39    H    GLU   7           H        GLU   7  -7.284   6.037   0.904
   40    HA   GLU   7           HA       GLU   7  -4.972   6.836  -0.219
   41    HB2  GLU   7           2HB      GLU   7  -6.926   8.672   1.157
   42    HB3  GLU   7           1HB      GLU   7  -5.827   9.090  -0.144
   43    HG2  GLU   7           2HG      GLU   7  -6.981   7.572  -1.645
   44    HG3  GLU   7           1HG      GLU   7  -8.083   7.121  -0.345
   45    H    GLN   8           H        GLN   8  -5.912   7.648   3.130
   46    HA   GLN   8           HA       GLN   8  -3.818   9.139   3.996
   47    HB2  GLN   8           2HB      GLN   8  -5.545   8.535   5.529
   48    HB3  GLN   8           1HB      GLN   8  -5.171   6.830   5.358
   49    HG2  GLN   8           2HG      GLN   8  -3.101   7.092   6.512
   50    HG3  GLN   8           1HG      GLN   8  -3.305   8.832   6.548
   51   HE21  GLN   8          1HE2      GLN   8  -5.924   6.595   7.137
   52   HE22  GLN   8          2HE2      GLN   8  -6.097   6.949   8.817
   53    H    THR   9           H        THR   9  -3.806   5.610   4.149
   54    HA   THR   9           HA       THR   9  -1.141   5.400   4.841
   55    HB   THR   9           HB       THR   9  -1.435   3.063   4.678
   56    HG1  THR   9           1HG      THR   9  -3.630   3.770   3.058
   57   HG21  THR   9          3HG2      THR   9  -2.507   4.077   6.598
   58   HG22  THR   9          1HG2      THR   9  -3.482   2.724   6.025
   59   HG23  THR   9          2HG2      THR   9  -3.960   4.379   5.646
   60    H    ILE  10           H        ILE  10  -2.775   5.457   1.870
   61    HA   ILE  10           HA       ILE  10  -0.952   4.254   0.160
   62    HB   ILE  10           HB       ILE  10  -2.910   6.473  -0.295
   63   HG12  ILE  10          2HG1      ILE  10  -2.940   3.554  -1.048
   64   HG13  ILE  10          1HG1      ILE  10  -3.850   4.284   0.270
   65   HG21  ILE  10          1HG2      ILE  10  -1.306   4.943  -2.323
   66   HG22  ILE  10          2HG2      ILE  10  -1.098   6.643  -1.905
   67   HG23  ILE  10          3HG2      ILE  10  -2.587   6.098  -2.677
   68   HD11  ILE  10          3HD1      ILE  10  -4.151   4.919  -2.635
   69   HD12  ILE  10          1HD1      ILE  10  -5.058   5.648  -1.312
   70   HD13  ILE  10          2HD1      ILE  10  -5.239   3.929  -1.662
   71    H    LYS  11           H        LYS  11  -1.480   7.546   1.102
   72    HA   LYS  11           HA       LYS  11   0.798   8.543  -0.187
   73    HB2  LYS  11           2HB      LYS  11  -0.773   9.806   2.021
   74    HB3  LYS  11           1HB      LYS  11   0.120  10.628   0.735
   75    HG2  LYS  11           2HG      LYS  11  -1.478   9.259  -0.815
   76    HG3  LYS  11           1HG      LYS  11  -2.463   9.143   0.633
   77    HD2  LYS  11           2HD      LYS  11  -2.551  11.573   0.813
   78    HD3  LYS  11           1HD      LYS  11  -1.579  11.718  -0.656
   79    HE2  LYS  11           2HE      LYS  11  -3.290  10.620  -1.950
   80    HE3  LYS  11           1HE      LYS  11  -4.232  10.294  -0.500
   81    HZ1  LYS  11           3HZ      LYS  11  -4.670  12.610  -0.235
   82    HZ2  LYS  11           1HZ      LYS  11  -5.056  12.180  -1.828
   83    HZ3  LYS  11           2HZ      LYS  11  -3.622  13.021  -1.506
   84    H    GLN  12           H        GLN  12   0.199   7.119   2.959
   85    HA   GLN  12           HA       GLN  12   2.592   7.975   4.157
   86    HB2  GLN  12           2HB      GLN  12   0.502   5.909   4.587
   87    HB3  GLN  12           1HB      GLN  12   1.971   5.822   5.487
   88    HG2  GLN  12           2HG      GLN  12  -0.006   8.059   5.471
   89    HG3  GLN  12           1HG      GLN  12   0.346   6.961   6.803
   90   HE21  GLN  12          1HE2      GLN  12   1.456   9.676   4.956
   91   HE22  GLN  12          2HE2      GLN  12   2.682  10.187   6.061
   92    H    LEU  13           H        LEU  13   1.761   5.427   1.967
   93    HA   LEU  13           HA       LEU  13   4.204   3.975   2.432
   94    HB2  LEU  13           2HB      LEU  13   1.976   3.493   0.475
   95    HB3  LEU  13           1HB      LEU  13   3.296   2.406   0.814
   96    HG   LEU  13           HG       LEU  13   1.173   3.260   2.721
   97   HD11  LEU  13          1HD1      LEU  13   0.378   1.627   1.107
   98   HD12  LEU  13          2HD1      LEU  13   0.516   0.893   2.705
   99   HD13  LEU  13          3HD1      LEU  13   1.743   0.575   1.480
  100   HD21  LEU  13          3HD2      LEU  13   3.495   1.411   3.173
  101   HD22  LEU  13          1HD2      LEU  13   2.176   1.702   4.306
  102   HD23  LEU  13          2HD2      LEU  13   3.274   3.014   3.878
  103    H    MET  14           H        MET  14   2.535   5.695  -0.177
  104    HA   MET  14           HA       MET  14   4.623   6.066  -1.937
  105    HB2  MET  14           2HB      MET  14   2.408   7.875  -1.003
  106    HB3  MET  14           1HB      MET  14   3.446   8.232  -2.373
  107    HG2  MET  14           2HG      MET  14   1.184   6.476  -2.196
  108    HG3  MET  14           1HG      MET  14   2.008   7.153  -3.563
  109    HE1  MET  14           3HE      MET  14   2.145   2.936  -2.235
  110    HE2  MET  14           1HE      MET  14   0.806   4.076  -2.381
  111    HE3  MET  14           2HE      MET  14   1.951   4.225  -1.047
  112    H    ASP  15           H        ASP  15   3.939   7.462   1.119
  113    HA   ASP  15           HA       ASP  15   5.810   9.517   1.247
  114    HB2  ASP  15           2HB      ASP  15   3.938   8.912   2.892
  115    HB3  ASP  15           1HB      ASP  15   5.067   7.744   3.555
  116    H    LEU  16           H        LEU  16   6.188   5.956   1.738
  117    HA   LEU  16           HA       LEU  16   8.868   6.259   2.675
  118    HB2  LEU  16           2HB      LEU  16   7.769   3.868   1.251
  119    HB3  LEU  16           1HB      LEU  16   8.963   3.935   2.521
  120    HG   LEU  16           HG       LEU  16   6.087   4.598   2.892
  121   HD11  LEU  16          1HD1      LEU  16   7.533   2.054   3.437
  122   HD12  LEU  16          2HD1      LEU  16   6.181   2.340   2.336
  123   HD13  LEU  16          3HD1      LEU  16   5.939   2.460   4.076
  124   HD21  LEU  16          3HD2      LEU  16   8.276   4.123   4.898
  125   HD22  LEU  16          1HD2      LEU  16   6.583   4.430   5.280
  126   HD23  LEU  16          2HD2      LEU  16   7.555   5.686   4.511
  127    H    GLY  17           H        GLY  17   7.427   6.751  -0.315
  128    HA2  GLY  17           2HA      GLY  17   8.780   7.802  -2.027
  129    HA3  GLY  17           1HA      GLY  17  10.054   6.652  -1.650
  130    H    PHE  18           H        PHE  18   6.808   5.437  -1.782
  131    HA   PHE  18           HA       PHE  18   7.630   3.849  -4.077
  132    HB2  PHE  18           2HB      PHE  18   5.470   3.538  -2.021
  133    HB3  PHE  18           1HB      PHE  18   5.810   2.356  -3.255
  134    HD1  PHE  18           2HD      PHE  18   8.688   2.246  -3.408
  135    HD2  PHE  18           1HD      PHE  18   6.084   2.739  -0.179
  136    HE1  PHE  18           2HE      PHE  18  10.405   1.338  -1.882
  137    HE2  PHE  18           1HE      PHE  18   7.686   1.905   1.320
  138    HZ   PHE  18           HZ       PHE  18   9.858   1.188   0.521
  139    HA   PRO  19           HA       PRO  19   4.299   5.367  -6.704
  140    HB2  PRO  19           2HB      PRO  19   3.801   3.282  -8.197
  141    HB3  PRO  19           1HB      PRO  19   5.455   3.901  -8.164
  142    HG2  PRO  19           2HG      PRO  19   4.309   1.688  -6.527
  143    HG3  PRO  19           1HG      PRO  19   5.671   1.673  -7.647
  144    HD2  PRO  19           2HD      PRO  19   6.054   2.083  -4.989
  145    HD3  PRO  19           1HD      PRO  19   7.052   2.898  -6.222
  146    H    ARG  20           H        ARG  20   2.089   4.990  -7.182
  147    HA   ARG  20           HA       ARG  20   0.543   4.311  -4.900
  148    HB2  ARG  20           2HB      ARG  20  -0.201   6.040  -6.419
  149    HB3  ARG  20           1HB      ARG  20  -0.231   4.908  -7.757
  150    HG2  ARG  20           2HG      ARG  20  -2.078   3.813  -6.976
  151    HG3  ARG  20           1HG      ARG  20  -1.878   4.429  -5.345
  152    HD2  ARG  20           2HD      ARG  20  -2.248   6.734  -6.433
  153    HD3  ARG  20           1HD      ARG  20  -2.928   5.816  -7.775
  154    HE   ARG  20           HE       ARG  20  -4.188   4.851  -5.535
  155   HH11  ARG  20          1HH1      ARG  20  -3.900   7.969  -7.118
  156   HH12  ARG  20          2HH1      ARG  20  -5.424   8.549  -6.507
  157   HH21  ARG  20          1HH2      ARG  20  -6.160   5.621  -4.709
  158   HH22  ARG  20          2HH2      ARG  20  -6.694   7.237  -5.105
  159    H    ASP  21           H        ASP  21   1.366   2.902  -7.884
  160    HA   ASP  21           HA       ASP  21  -0.128   0.586  -8.028
  161    HB2  ASP  21           2HB      ASP  21   1.330   1.197  -9.815
  162    HB3  ASP  21           1HB      ASP  21   2.742   1.159  -8.768
  163    H    ALA  22           H        ALA  22   2.589   1.335  -5.924
  164    HA   ALA  22           HA       ALA  22   3.079  -1.342  -5.083
  165    HB1  ALA  22           1HB      ALA  22   4.793   0.395  -4.928
  166    HB2  ALA  22           2HB      ALA  22   4.481  -0.350  -3.359
  167    HB3  ALA  22           3HB      ALA  22   3.820   1.243  -3.727
  168    H    VAL  23           H        VAL  23   1.036   1.301  -3.851
  169    HA   VAL  23           HA       VAL  23   0.343   0.054  -1.416
  170    HB   VAL  23           HB       VAL  23  -0.159   2.489  -2.526
  171   HG11  VAL  23          1HG1      VAL  23  -1.925   1.756  -3.923
  172   HG12  VAL  23          2HG1      VAL  23  -2.615   2.733  -2.618
  173   HG13  VAL  23          3HG1      VAL  23  -2.732   0.970  -2.567
  174   HG21  VAL  23          3HG2      VAL  23  -0.563   2.941  -0.410
  175   HG22  VAL  23          1HG2      VAL  23  -0.594   1.200  -0.094
  176   HG23  VAL  23          2HG2      VAL  23  -2.103   2.038  -0.489
  177    H    VAL  24           H        VAL  24  -0.984   0.062  -4.562
  178    HA   VAL  24           HA       VAL  24  -3.161  -1.540  -3.861
  179    HB   VAL  24           HB       VAL  24  -1.982  -0.727  -6.485
  180   HG11  VAL  24          1HG1      VAL  24  -4.011  -1.691  -7.555
  181   HG12  VAL  24          2HG1      VAL  24  -4.453  -2.415  -6.005
  182   HG13  VAL  24          3HG1      VAL  24  -2.984  -2.933  -6.833
  183   HG21  VAL  24          3HG2      VAL  24  -4.352   0.375  -6.471
  184   HG22  VAL  24          1HG2      VAL  24  -3.040   1.063  -5.503
  185   HG23  VAL  24          2HG2      VAL  24  -4.266   0.053  -4.727
  186    H    LYS  25           H        LYS  25  -0.082  -2.453  -5.441
  187    HA   LYS  25           HA       LYS  25  -0.847  -5.146  -5.761
  188    HB2  LYS  25           2HB      LYS  25   1.821  -3.779  -5.531
  189    HB3  LYS  25           1HB      LYS  25   1.713  -5.530  -5.639
  190    HG2  LYS  25           2HG      LYS  25   0.743  -5.428  -7.795
  191    HG3  LYS  25           1HG      LYS  25   0.476  -3.687  -7.666
  192    HD2  LYS  25           2HD      LYS  25   2.863  -3.295  -7.662
  193    HD3  LYS  25           1HD      LYS  25   3.177  -5.032  -7.702
  194    HE2  LYS  25           2HE      LYS  25   2.307  -5.236  -9.890
  195    HE3  LYS  25           1HE      LYS  25   1.597  -3.623  -9.838
  196    HZ1  LYS  25           3HZ      LYS  25   3.912  -2.755  -9.669
  197    HZ2  LYS  25           1HZ      LYS  25   3.549  -3.505 -11.145
  198    HZ3  LYS  25           2HZ      LYS  25   4.480  -4.325  -9.992
  199    H    ALA  26           H        ALA  26   0.566  -3.372  -3.050
  200    HA   ALA  26           HA       ALA  26   1.206  -5.868  -1.742
  201    HB1  ALA  26           1HB      ALA  26   2.212  -4.462  -0.021
  202    HB2  ALA  26           2HB      ALA  26   1.573  -3.024  -0.821
  203    HB3  ALA  26           3HB      ALA  26   2.787  -4.016  -1.628
  204    H    LEU  27           H        LEU  27  -1.083  -3.190  -1.378
  205    HA   LEU  27           HA       LEU  27  -1.998  -4.292   1.089
  206    HB2  LEU  27           2HB      LEU  27  -3.187  -2.194  -0.700
  207    HB3  LEU  27           1HB      LEU  27  -3.826  -2.622   0.863
  208    HG   LEU  27           HG       LEU  27  -2.389  -0.504   0.524
  209   HD11  LEU  27          1HD1      LEU  27  -1.848  -2.385   2.769
  210   HD12  LEU  27          2HD1      LEU  27  -3.218  -1.283   2.657
  211   HD13  LEU  27          3HD1      LEU  27  -1.581  -0.644   2.805
  212   HD21  LEU  27          3HD2      LEU  27  -0.052  -0.765   0.899
  213   HD22  LEU  27          1HD2      LEU  27  -0.593  -1.568  -0.584
  214   HD23  LEU  27          2HD2      LEU  27  -0.271  -2.522   0.862
  215    H    LYS  28           H        LYS  28  -2.841  -4.544  -2.325
  216    HA   LYS  28           HA       LYS  28  -5.251  -5.854  -2.070
  217    HB2  LYS  28           2HB      LYS  28  -3.468  -5.357  -4.133
  218    HB3  LYS  28           1HB      LYS  28  -3.630  -7.101  -4.125
  219    HG2  LYS  28           2HG      LYS  28  -5.340  -5.122  -5.219
  220    HG3  LYS  28           1HG      LYS  28  -5.497  -6.878  -5.298
  221    HD2  LYS  28           2HD      LYS  28  -6.697  -6.844  -3.159
  222    HD3  LYS  28           1HD      LYS  28  -6.509  -5.092  -3.108
  223    HE2  LYS  28           2HE      LYS  28  -7.804  -4.889  -5.176
  224    HE3  LYS  28           1HE      LYS  28  -7.997  -6.639  -5.219
  225    HZ1  LYS  28           3HZ      LYS  28  -8.992  -4.888  -3.034
  226    HZ2  LYS  28           1HZ      LYS  28  -9.256  -6.555  -3.194
  227    HZ3  LYS  28           2HZ      LYS  28  -9.942  -5.473  -4.308
  228    H    GLN  29           H        GLN  29  -1.927  -7.283  -1.916
  229    HA   GLN  29           HA       GLN  29  -3.055  -9.902  -1.621
  230    HB2  GLN  29           2HB      GLN  29  -0.762 -10.547  -1.247
  231    HB3  GLN  29           1HB      GLN  29  -0.918  -9.520  -2.621
  232    HG2  GLN  29           2HG      GLN  29  -0.257  -7.650  -1.011
  233    HG3  GLN  29           1HG      GLN  29   0.345  -8.982  -0.035
  234   HE21  GLN  29          1HE2      GLN  29   1.725  -6.823  -1.496
  235   HE22  GLN  29          2HE2      GLN  29   2.844  -7.612  -2.537
  236    H    THR  30           H        THR  30  -2.078  -7.394   0.519
  237    HA   THR  30           HA       THR  30  -2.354  -9.021   2.911
  238    HB   THR  30           HB       THR  30  -1.829  -6.879   4.056
  239    HG1  THR  30           1HG      THR  30  -1.199  -5.782   1.557
  240   HG21  THR  30          3HG2      THR  30   0.499  -6.745   3.312
  241   HG22  THR  30          1HG2      THR  30   0.081  -7.628   1.841
  242   HG23  THR  30          2HG2      THR  30  -0.024  -8.428   3.413
  243    H    ASN  31           H        ASN  31  -4.459  -7.582   0.917
  244    HA   ASN  31           HA       ASN  31  -6.410  -6.489   0.929
  245    HB2  ASN  31           2HB      ASN  31  -6.704  -8.036   3.510
  246    HB3  ASN  31           1HB      ASN  31  -8.012  -7.083   2.815
  247   HD21  ASN  31          1HD2      ASN  31  -6.164  -9.977   2.633
  248   HD22  ASN  31          2HD2      ASN  31  -7.061 -10.723   1.345
  249    H    GLY  32           H        GLY  32  -4.592  -4.675   1.422
  250    HA2  GLY  32           2HA      GLY  32  -4.754  -2.481   1.860
  251    HA3  GLY  32           1HA      GLY  32  -6.327  -2.770   2.576
  252    H    ASN  33           H        ASN  33  -3.994  -4.628   4.377
  253    HA   ASN  33           HA       ASN  33  -4.195  -2.602   6.371
  254    HB2  ASN  33           2HB      ASN  33  -3.466  -4.207   7.920
  255    HB3  ASN  33           1HB      ASN  33  -4.631  -4.960   6.883
  256   HD21  ASN  33          1HD2      ASN  33  -2.288  -5.079   4.876
  257   HD22  ASN  33          2HD2      ASN  33  -1.484  -6.526   5.363
  258    H    ALA  34           H        ALA  34  -2.898  -1.043   6.612
  259    HA   ALA  34           HA       ALA  34  -1.103  -0.419   4.664
  260    HB1  ALA  34           1HB      ALA  34  -0.541   1.535   5.929
  261    HB2  ALA  34           2HB      ALA  34  -1.120   0.782   7.414
  262    HB3  ALA  34           3HB      ALA  34  -2.258   1.184   6.127
  263    H    GLU  35           H        GLU  35  -0.004  -1.013   8.029
  264    HA   GLU  35           HA       GLU  35   2.573  -0.664   7.473
  265    HB2  GLU  35           2HB      GLU  35   1.100  -1.951   9.644
  266    HB3  GLU  35           1HB      GLU  35   2.840  -2.031   9.617
  267    HG2  GLU  35           2HG      GLU  35   1.321   0.489   9.387
  268    HG3  GLU  35           1HG      GLU  35   1.807  -0.202  10.908
  269    H    PHE  36           H        PHE  36   0.704  -3.447   7.471
  270    HA   PHE  36           HA       PHE  36   2.712  -5.385   7.191
  271    HB2  PHE  36           2HB      PHE  36  -0.238  -5.217   6.808
  272    HB3  PHE  36           1HB      PHE  36   0.577  -6.642   6.205
  273    HD1  PHE  36           1HD      PHE  36   0.816  -4.478   9.180
  274    HD2  PHE  36           2HD      PHE  36   0.435  -8.446   7.722
  275    HE1  PHE  36           1HE      PHE  36   0.832  -5.260  11.410
  276    HE2  PHE  36           2HE      PHE  36   0.443  -9.283  10.046
  277    HZ   PHE  36           HZ       PHE  36   0.644  -7.682  11.918
  278    H    ALA  37           H        ALA  37   0.652  -3.691   4.892
  279    HA   ALA  37           HA       ALA  37   1.607  -5.187   2.675
  280    HB1  ALA  37           1HB      ALA  37   0.300  -3.655   1.397
  281    HB2  ALA  37           2HB      ALA  37   0.141  -2.599   2.800
  282    HB3  ALA  37           3HB      ALA  37  -0.590  -4.202   2.815
  283    H    ALA  38           H        ALA  38   2.436  -2.091   4.109
  284    HA   ALA  38           HA       ALA  38   4.221  -1.131   2.236
  285    HB1  ALA  38           1HB      ALA  38   3.593   0.102   4.248
  286    HB2  ALA  38           2HB      ALA  38   5.344  -0.018   4.089
  287    HB3  ALA  38           3HB      ALA  38   4.490  -1.049   5.238
  288    H    SER  39           H        SER  39   4.618  -3.553   4.747
  289    HA   SER  39           HA       SER  39   7.429  -3.883   4.334
  290    HB2  SER  39           2HB      SER  39   5.413  -5.636   5.758
  291    HB3  SER  39           1HB      SER  39   7.167  -5.803   5.865
  292    HG   SER  39           HG       SER  39   7.120  -3.542   6.646
  293    H    LEU  40           H        LEU  40   4.531  -4.968   2.942
  294    HA   LEU  40           HA       LEU  40   5.601  -7.288   1.682
  295    HB2  LEU  40           2HB      LEU  40   3.072  -6.148   2.199
  296    HB3  LEU  40           1HB      LEU  40   3.273  -6.118   0.494
  297    HG   LEU  40           HG       LEU  40   2.132  -8.146   1.012
  298   HD11  LEU  40          1HD1      LEU  40   5.042  -8.763   0.541
  299   HD12  LEU  40          2HD1      LEU  40   3.834  -8.414  -0.695
  300   HD13  LEU  40          3HD1      LEU  40   3.703  -9.879   0.277
  301   HD21  LEU  40          3HD2      LEU  40   3.007  -9.775   2.613
  302   HD22  LEU  40          1HD2      LEU  40   2.668  -8.227   3.386
  303   HD23  LEU  40          2HD2      LEU  40   4.330  -8.678   3.006
  304    H    LEU  41           H        LEU  41   4.744  -3.902   0.823
  305    HA   LEU  41           HA       LEU  41   5.298  -4.307  -1.910
  306    HB2  LEU  41           2HB      LEU  41   4.842  -2.046  -2.212
  307    HB3  LEU  41           1HB      LEU  41   3.791  -2.606  -0.930
  308    HG   LEU  41           HG       LEU  41   5.422  -1.586   0.687
  309   HD11  LEU  41          1HD1      LEU  41   7.264  -1.518  -0.863
  310   HD12  LEU  41          2HD1      LEU  41   6.932   0.048  -0.115
  311   HD13  LEU  41          3HD1      LEU  41   6.432  -0.263  -1.781
  312   HD21  LEU  41          3HD2      LEU  41   4.517   0.648   0.350
  313   HD22  LEU  41          1HD2      LEU  41   3.292  -0.601   0.136
  314   HD23  LEU  41          2HD2      LEU  41   4.007   0.182  -1.273
  315    H    PHE  42           H        PHE  42   7.101  -3.613   0.842
  316    HA   PHE  42           HA       PHE  42   9.399  -2.433   0.037
  317    HB2  PHE  42           2HB      PHE  42   8.539  -4.047   2.239
  318    HB3  PHE  42           1HB      PHE  42  10.193  -4.464   1.801
  319    HD1  PHE  42           1HD      PHE  42   7.921  -1.780   2.399
  320    HD2  PHE  42           2HD      PHE  42  11.956  -3.021   2.506
  321    HE1  PHE  42           1HE      PHE  42   8.525   0.320   3.413
  322    HE2  PHE  42           2HE      PHE  42  12.604  -0.888   3.574
  323    HZ   PHE  42           HZ       PHE  42  10.868   0.812   4.036
  324    H    GLN  43           H        GLN  43   8.195  -5.646  -0.714
  325    HA   GLN  43           HA       GLN  43  10.660  -6.944  -1.177
  326    HB2  GLN  43           2HB      GLN  43   9.434  -8.754  -1.710
  327    HB3  GLN  43           1HB      GLN  43   8.078  -7.784  -1.167
  328    HG2  GLN  43           2HG      GLN  43   8.835  -7.441  -3.993
  329    HG3  GLN  43           1HG      GLN  43   8.216  -9.030  -3.564
  330   HE21  GLN  43          1HE2      GLN  43   6.310  -8.348  -1.678
  331   HE22  GLN  43          2HE2      GLN  43   5.076  -7.397  -2.418
  332    H    SER  44           H        SER  44   8.916  -4.715  -3.064
  333    HA   SER  44           HA       SER  44  10.784  -5.139  -5.300
  334    HB2  SER  44           2HB      SER  44   7.945  -4.083  -5.409
  335    HB3  SER  44           1HB      SER  44   9.043  -4.170  -6.784
  336    HG   SER  44           HG       SER  44   7.831  -6.267  -5.333
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1 -10.614   7.041  -1.119
    2    H2   GLY   1           2HT      GLY   1 -11.675   6.592   0.127
    3    H3   GLY   1           3HT      GLY   1 -11.934   8.031  -0.723
    4    HA2  GLY   1           1HA      GLY   1 -13.491   6.373  -1.460
    5    HA3  GLY   1           2HA      GLY   1 -12.370   6.784  -2.750
    6    H    SER   2           H        SER   2 -11.761   4.720   0.069
    7    HA   SER   2           HA       SER   2 -12.087   2.236  -1.207
    8    HB2  SER   2           2HB      SER   2 -10.173   2.984  -2.588
    9    HB3  SER   2           1HB      SER   2  -9.223   3.242  -1.126
   10    HG   SER   2           HG       SER   2 -10.356   0.725  -1.809
   11    H    ALA   3           H        ALA   3 -11.437   0.485   0.153
   12    HA   ALA   3           HA       ALA   3 -10.847   1.314   2.918
   13    HB1  ALA   3           1HB      ALA   3 -12.159  -1.209   1.903
   14    HB2  ALA   3           2HB      ALA   3 -12.968   0.152   2.680
   15    HB3  ALA   3           3HB      ALA   3 -11.831  -0.838   3.595
   16    H    THR   4           H        THR   4  -9.758  -0.507   0.217
   17    HA   THR   4           HA       THR   4  -7.763  -1.937   1.690
   18    HB   THR   4           HB       THR   4  -7.169  -2.646  -0.757
   19    HG1  THR   4           1HG      THR   4  -9.271  -2.642  -1.923
   20   HG21  THR   4          3HG2      THR   4  -9.642  -3.608   0.688
   21   HG22  THR   4          1HG2      THR   4  -7.996  -4.181   0.959
   22   HG23  THR   4          2HG2      THR   4  -8.791  -4.484  -0.586
   23    H    PHE   5           H        PHE   5  -7.917   0.282  -0.758
   24    HA   PHE   5           HA       PHE   5  -5.083   1.027  -0.554
   25    HB2  PHE   5           2HB      PHE   5  -6.964   1.319  -2.757
   26    HB3  PHE   5           1HB      PHE   5  -5.213   1.335  -2.909
   27    HD1  PHE   5           1HD      PHE   5  -4.590  -0.923  -1.314
   28    HD2  PHE   5           2HD      PHE   5  -7.670  -0.504  -4.163
   29    HE1  PHE   5           1HE      PHE   5  -4.609  -3.196  -1.591
   30    HE2  PHE   5           2HE      PHE   5  -7.677  -2.977  -4.441
   31    HZ   PHE   5           HZ       PHE   5  -6.077  -4.307  -3.043
   32    HA   PRO   6           HA       PRO   6  -8.077   4.873  -0.134
   33    HB2  PRO   6           2HB      PRO   6  -7.816   5.314   2.516
   34    HB3  PRO   6           1HB      PRO   6  -9.063   4.316   1.794
   35    HG2  PRO   6           2HG      PRO   6  -6.554   3.473   3.003
   36    HG3  PRO   6           1HG      PRO   6  -8.184   2.839   3.197
   37    HD2  PRO   6           2HD      PRO   6  -6.444   1.663   1.552
   38    HD3  PRO   6           1HD      PRO   6  -8.139   1.730   1.142
   39    H    GLU   7           H        GLU   7  -7.470   6.951   0.101
   40    HA   GLU   7           HA       GLU   7  -4.971   7.629  -0.739
   41    HB2  GLU   7           2HB      GLU   7  -6.895   9.393   0.758
   42    HB3  GLU   7           1HB      GLU   7  -5.615   9.929  -0.308
   43    HG2  GLU   7           2HG      GLU   7  -7.335  10.060  -1.757
   44    HG3  GLU   7           1HG      GLU   7  -6.909   8.372  -2.004
   45    H    GLN   8           H        GLN   8  -6.122   7.601   2.620
   46    HA   GLN   8           HA       GLN   8  -3.949   8.759   3.892
   47    HB2  GLN   8           2HB      GLN   8  -5.092   6.220   4.997
   48    HB3  GLN   8           1HB      GLN   8  -4.620   7.686   5.842
   49    HG2  GLN   8           2HG      GLN   8  -6.598   8.659   4.399
   50    HG3  GLN   8           1HG      GLN   8  -7.144   6.996   4.502
   51   HE21  GLN   8          1HE2      GLN   8  -5.912   6.539   7.086
   52   HE22  GLN   8          2HE2      GLN   8  -6.893   7.370   8.243
   53    H    THR   9           H        THR   9  -4.426   5.325   3.277
   54    HA   THR   9           HA       THR   9  -1.865   4.568   3.979
   55    HB   THR   9           HB       THR   9  -2.437   2.409   3.025
   56    HG1  THR   9           1HG      THR   9  -4.225   3.863   1.632
   57   HG21  THR   9          3HG2      THR   9  -3.168   2.923   5.281
   58   HG22  THR   9          1HG2      THR   9  -4.357   1.910   4.462
   59   HG23  THR   9          2HG2      THR   9  -4.645   3.641   4.637
   60    H    ILE  10           H        ILE  10  -3.332   5.440   1.030
   61    HA   ILE  10           HA       ILE  10  -1.440   4.804  -0.860
   62    HB   ILE  10           HB       ILE  10  -3.137   7.297  -0.589
   63   HG12  ILE  10          2HG1      ILE  10  -4.265   5.047  -0.971
   64   HG13  ILE  10          1HG1      ILE  10  -4.659   6.331  -2.105
   65   HG21  ILE  10          1HG2      ILE  10  -1.520   6.401  -2.949
   66   HG22  ILE  10          2HG2      ILE  10  -1.208   7.804  -1.932
   67   HG23  ILE  10          3HG2      ILE  10  -2.656   7.747  -2.936
   68   HD11  ILE  10          3HD1      ILE  10  -4.358   4.255  -3.266
   69   HD12  ILE  10          1HD1      ILE  10  -2.757   4.058  -2.555
   70   HD13  ILE  10          2HD1      ILE  10  -3.060   5.370  -3.695
   71    H    LYS  11           H        LYS  11  -1.783   7.790   0.978
   72    HA   LYS  11           HA       LYS  11   0.683   8.711   0.016
   73    HB2  LYS  11           2HB      LYS  11  -1.088   9.783   2.178
   74    HB3  LYS  11           1HB      LYS  11   0.313  10.629   1.533
   75    HG2  LYS  11           2HG      LYS  11  -0.670  10.750  -0.632
   76    HG3  LYS  11           1HG      LYS  11  -2.007   9.701  -0.139
   77    HD2  LYS  11           2HD      LYS  11  -2.909  11.382   1.263
   78    HD3  LYS  11           1HD      LYS  11  -1.437  12.355   1.168
   79    HE2  LYS  11           2HE      LYS  11  -3.351  11.779  -1.093
   80    HE3  LYS  11           1HE      LYS  11  -3.198  13.306  -0.223
   81    HZ1  LYS  11           3HZ      LYS  11  -1.142  12.031  -1.951
   82    HZ2  LYS  11           1HZ      LYS  11  -0.871  13.413  -1.007
   83    HZ3  LYS  11           2HZ      LYS  11  -1.999  13.460  -2.268
   84    H    GLN  12           H        GLN  12  -0.191   7.006   2.929
   85    HA   GLN  12           HA       GLN  12   2.154   7.525   4.328
   86    HB2  GLN  12           2HB      GLN  12  -0.055   5.550   4.311
   87    HB3  GLN  12           1HB      GLN  12   1.387   5.132   5.179
   88    HG2  GLN  12           2HG      GLN  12  -0.431   7.452   5.644
   89    HG3  GLN  12           1HG      GLN  12  -0.107   6.100   6.725
   90   HE21  GLN  12          1HE2      GLN  12   1.060   9.104   5.461
   91   HE22  GLN  12          2HE2      GLN  12   2.332   9.330   6.609
   92    H    LEU  13           H        LEU  13   1.311   5.194   1.860
   93    HA   LEU  13           HA       LEU  13   3.719   3.686   2.352
   94    HB2  LEU  13           2HB      LEU  13   1.431   3.132   0.490
   95    HB3  LEU  13           1HB      LEU  13   2.733   2.043   0.898
   96    HG   LEU  13           HG       LEU  13   0.718   3.136   2.796
   97   HD11  LEU  13          1HD1      LEU  13  -0.106   0.830   2.940
   98   HD12  LEU  13          2HD1      LEU  13   1.054   0.347   1.703
   99   HD13  LEU  13          3HD1      LEU  13  -0.244   1.473   1.305
  100   HD21  LEU  13          3HD2      LEU  13   1.682   1.565   4.424
  101   HD22  LEU  13          1HD2      LEU  13   2.826   2.805   3.912
  102   HD23  LEU  13          2HD2      LEU  13   2.947   1.171   3.260
  103    H    MET  14           H        MET  14   2.090   5.557  -0.207
  104    HA   MET  14           HA       MET  14   4.240   5.512  -1.982
  105    HB2  MET  14           2HB      MET  14   1.995   7.364  -1.356
  106    HB3  MET  14           1HB      MET  14   3.163   7.727  -2.621
  107    HG2  MET  14           2HG      MET  14   1.134   6.681  -3.407
  108    HG3  MET  14           1HG      MET  14   2.560   5.785  -3.797
  109    HE1  MET  14           3HE      MET  14   3.245   3.798  -1.709
  110    HE2  MET  14           1HE      MET  14   2.803   3.249  -3.325
  111    HE3  MET  14           2HE      MET  14   2.094   2.474  -1.906
  112    H    ASP  15           H        ASP  15   3.663   7.161   0.976
  113    HA   ASP  15           HA       ASP  15   5.625   9.162   0.905
  114    HB2  ASP  15           2HB      ASP  15   3.985   9.115   2.661
  115    HB3  ASP  15           1HB      ASP  15   4.542   7.541   3.218
  116    H    LEU  16           H        LEU  16   5.851   5.659   1.652
  117    HA   LEU  16           HA       LEU  16   8.429   5.471   2.486
  118    HB2  LEU  16           2HB      LEU  16   6.382   3.994   0.985
  119    HB3  LEU  16           1HB      LEU  16   7.981   3.346   0.980
  120    HG   LEU  16           HG       LEU  16   7.945   2.956   3.231
  121   HD11  LEU  16          1HD1      LEU  16   7.106   5.048   4.061
  122   HD12  LEU  16          2HD1      LEU  16   6.193   3.715   4.774
  123   HD13  LEU  16          3HD1      LEU  16   5.503   4.653   3.448
  124   HD21  LEU  16          3HD2      LEU  16   5.913   1.632   3.607
  125   HD22  LEU  16          1HD2      LEU  16   6.618   1.370   2.011
  126   HD23  LEU  16          2HD2      LEU  16   5.206   2.412   2.191
  127    H    GLY  17           H        GLY  17   7.217   6.472  -0.546
  128    HA2  GLY  17           2HA      GLY  17   8.749   7.521  -2.140
  129    HA3  GLY  17           1HA      GLY  17   9.876   6.206  -1.810
  130    H    PHE  18           H        PHE  18   6.865   4.991  -1.738
  131    HA   PHE  18           HA       PHE  18   7.274   3.577  -4.211
  132    HB2  PHE  18           2HB      PHE  18   5.410   3.280  -1.878
  133    HB3  PHE  18           1HB      PHE  18   5.433   2.162  -3.213
  134    HD1  PHE  18           2HD      PHE  18   8.169   1.799  -3.896
  135    HD2  PHE  18           1HD      PHE  18   6.325   2.343  -0.148
  136    HE1  PHE  18           2HE      PHE  18  10.050   0.644  -2.786
  137    HE2  PHE  18           1HE      PHE  18   8.107   1.261   0.913
  138    HZ   PHE  18           HZ       PHE  18   9.978   0.411  -0.333
  139    HA   PRO  19           HA       PRO  19   4.007   5.639  -6.459
  140    HB2  PRO  19           2HB      PRO  19   3.447   3.861  -8.307
  141    HB3  PRO  19           1HB      PRO  19   5.090   4.495  -8.202
  142    HG2  PRO  19           2HG      PRO  19   4.027   1.973  -7.022
  143    HG3  PRO  19           1HG      PRO  19   5.377   2.223  -8.130
  144    HD2  PRO  19           2HD      PRO  19   5.777   2.084  -5.463
  145    HD3  PRO  19           1HD      PRO  19   6.742   3.161  -6.492
  146    H    ARG  20           H        ARG  20   1.784   5.339  -7.103
  147    HA   ARG  20           HA       ARG  20   0.108   4.524  -5.007
  148    HB2  ARG  20           2HB      ARG  20  -0.653   6.187  -6.518
  149    HB3  ARG  20           1HB      ARG  20  -0.366   5.164  -7.907
  150    HG2  ARG  20           2HG      ARG  20  -2.164   3.721  -7.280
  151    HG3  ARG  20           1HG      ARG  20  -2.427   4.658  -5.816
  152    HD2  ARG  20           2HD      ARG  20  -2.954   6.617  -7.157
  153    HD3  ARG  20           1HD      ARG  20  -2.680   5.688  -8.627
  154    HE   ARG  20           HE       ARG  20  -4.602   4.322  -7.166
  155   HH11  ARG  20          1HH1      ARG  20  -4.256   7.451  -8.714
  156   HH12  ARG  20          2HH1      ARG  20  -5.951   7.584  -9.090
  157   HH21  ARG  20          1HH2      ARG  20  -6.811   4.507  -7.609
  158   HH22  ARG  20          2HH2      ARG  20  -7.422   5.904  -8.445
  159    H    ASP  21           H        ASP  21   0.998   3.077  -8.025
  160    HA   ASP  21           HA       ASP  21  -0.560   0.783  -8.076
  161    HB2  ASP  21           2HB      ASP  21   0.842   1.450  -9.946
  162    HB3  ASP  21           1HB      ASP  21   2.295   1.171  -8.994
  163    H    ALA  22           H        ALA  22   2.191   1.539  -6.084
  164    HA   ALA  22           HA       ALA  22   2.742  -1.154  -5.290
  165    HB1  ALA  22           1HB      ALA  22   4.480   0.566  -5.236
  166    HB2  ALA  22           2HB      ALA  22   4.249  -0.183  -3.657
  167    HB3  ALA  22           3HB      ALA  22   3.591   1.422  -3.975
  168    H    VAL  23           H        VAL  23   0.643   1.435  -4.064
  169    HA   VAL  23           HA       VAL  23   0.102   0.215  -1.568
  170    HB   VAL  23           HB       VAL  23  -0.621   2.611  -2.705
  171   HG11  VAL  23          1HG1      VAL  23  -3.072   0.907  -2.494
  172   HG12  VAL  23          2HG1      VAL  23  -2.413   1.649  -3.954
  173   HG13  VAL  23          3HG1      VAL  23  -3.076   2.666  -2.665
  174   HG21  VAL  23          3HG2      VAL  23  -1.832   3.029  -0.661
  175   HG22  VAL  23          1HG2      VAL  23  -0.349   2.132  -0.331
  176   HG23  VAL  23          2HG2      VAL  23  -1.915   1.298  -0.336
  177    H    VAL  24           H        VAL  24  -1.417   0.188  -4.676
  178    HA   VAL  24           HA       VAL  24  -3.449  -1.552  -3.932
  179    HB   VAL  24           HB       VAL  24  -2.320  -0.745  -6.586
  180   HG11  VAL  24          1HG1      VAL  24  -4.204  -1.940  -7.664
  181   HG12  VAL  24          2HG1      VAL  24  -4.629  -2.649  -6.103
  182   HG13  VAL  24          3HG1      VAL  24  -3.092  -3.055  -6.868
  183   HG21  VAL  24          3HG2      VAL  24  -4.626   0.251  -6.754
  184   HG22  VAL  24          1HG2      VAL  24  -3.613   0.913  -5.469
  185   HG23  VAL  24          2HG2      VAL  24  -4.881  -0.249  -5.078
  186    H    LYS  25           H        LYS  25  -0.342  -2.353  -5.555
  187    HA   LYS  25           HA       LYS  25  -0.860  -5.100  -5.773
  188    HB2  LYS  25           2HB      LYS  25   1.644  -3.478  -5.492
  189    HB3  LYS  25           1HB      LYS  25   1.728  -5.233  -5.452
  190    HG2  LYS  25           2HG      LYS  25   0.867  -5.406  -7.653
  191    HG3  LYS  25           1HG      LYS  25   0.461  -3.686  -7.691
  192    HD2  LYS  25           2HD      LYS  25   2.718  -3.047  -7.742
  193    HD3  LYS  25           1HD      LYS  25   3.275  -4.659  -7.286
  194    HE2  LYS  25           2HE      LYS  25   3.692  -4.261  -9.644
  195    HE3  LYS  25           1HE      LYS  25   2.487  -5.531  -9.441
  196    HZ1  LYS  25           3HZ      LYS  25   1.919  -2.687 -10.096
  197    HZ2  LYS  25           1HZ      LYS  25   0.756  -3.911  -9.916
  198    HZ3  LYS  25           2HZ      LYS  25   1.875  -3.985 -11.190
  199    H    ALA  26           H        ALA  26   0.252  -3.132  -3.098
  200    HA   ALA  26           HA       ALA  26   1.156  -5.467  -1.633
  201    HB1  ALA  26           1HB      ALA  26   2.434  -3.368  -1.535
  202    HB2  ALA  26           2HB      ALA  26   1.907  -3.906   0.060
  203    HB3  ALA  26           3HB      ALA  26   1.061  -2.586  -0.753
  204    H    LEU  27           H        LEU  27  -1.338  -3.022  -1.368
  205    HA   LEU  27           HA       LEU  27  -2.381  -4.112   1.035
  206    HB2  LEU  27           2HB      LEU  27  -3.489  -2.203  -0.996
  207    HB3  LEU  27           1HB      LEU  27  -4.319  -2.614   0.480
  208    HG   LEU  27           HG       LEU  27  -3.017  -0.415   0.284
  209   HD11  LEU  27          1HD1      LEU  27  -2.541  -2.230   2.612
  210   HD12  LEU  27          2HD1      LEU  27  -3.986  -1.257   2.348
  211   HD13  LEU  27          3HD1      LEU  27  -2.433  -0.471   2.642
  212   HD21  LEU  27          3HD2      LEU  27  -1.002  -1.314  -0.579
  213   HD22  LEU  27          1HD2      LEU  27  -0.781  -2.245   0.896
  214   HD23  LEU  27          2HD2      LEU  27  -0.728  -0.479   0.955
  215    H    LYS  28           H        LYS  28  -2.748  -4.662  -2.380
  216    HA   LYS  28           HA       LYS  28  -5.074  -6.149  -2.403
  217    HB2  LYS  28           2HB      LYS  28  -2.688  -6.058  -4.100
  218    HB3  LYS  28           1HB      LYS  28  -3.606  -7.558  -4.168
  219    HG2  LYS  28           2HG      LYS  28  -5.540  -6.471  -4.923
  220    HG3  LYS  28           1HG      LYS  28  -4.918  -4.873  -4.477
  221    HD2  LYS  28           2HD      LYS  28  -4.718  -5.091  -6.845
  222    HD3  LYS  28           1HD      LYS  28  -3.108  -5.216  -6.131
  223    HE2  LYS  28           2HE      LYS  28  -3.346  -6.892  -7.856
  224    HE3  LYS  28           1HE      LYS  28  -3.266  -7.678  -6.280
  225    HZ1  LYS  28           3HZ      LYS  28  -4.991  -8.681  -7.587
  226    HZ2  LYS  28           1HZ      LYS  28  -5.714  -7.173  -7.884
  227    HZ3  LYS  28           2HZ      LYS  28  -5.714  -7.817  -6.315
  228    H    GLN  29           H        GLN  29  -1.670  -7.412  -1.811
  229    HA   GLN  29           HA       GLN  29  -2.882 -10.004  -1.406
  230    HB2  GLN  29           2HB      GLN  29  -0.702 -10.749  -0.990
  231    HB3  GLN  29           1HB      GLN  29  -0.650  -9.657  -2.322
  232    HG2  GLN  29           2HG      GLN  29  -0.180  -8.235   0.052
  233    HG3  GLN  29           1HG      GLN  29   0.882  -9.638  -0.020
  234   HE21  GLN  29          1HE2      GLN  29   1.439  -6.803  -0.307
  235   HE22  GLN  29          2HE2      GLN  29   2.145  -6.609  -1.860
  236    H    THR  30           H        THR  30  -1.864  -7.411   0.617
  237    HA   THR  30           HA       THR  30  -2.200  -8.869   3.078
  238    HB   THR  30           HB       THR  30  -1.843  -6.633   4.107
  239    HG1  THR  30           1HG      THR  30  -1.218  -5.669   1.538
  240   HG21  THR  30          3HG2      THR  30   0.506  -6.446   3.436
  241   HG22  THR  30          1HG2      THR  30   0.176  -7.432   2.011
  242   HG23  THR  30          2HG2      THR  30   0.043  -8.138   3.624
  243    H    ASN  31           H        ASN  31  -4.261  -7.488   0.920
  244    HA   ASN  31           HA       ASN  31  -6.381  -6.753   0.861
  245    HB2  ASN  31           2HB      ASN  31  -6.615  -8.146   3.542
  246    HB3  ASN  31           1HB      ASN  31  -7.963  -7.625   2.540
  247   HD21  ASN  31          1HD2      ASN  31  -6.847  -8.441   0.021
  248   HD22  ASN  31          2HD2      ASN  31  -6.842 -10.167   0.006
  249    H    GLY  32           H        GLY  32  -4.796  -4.705   1.438
  250    HA2  GLY  32           2HA      GLY  32  -5.320  -2.557   1.883
  251    HA3  GLY  32           1HA      GLY  32  -6.785  -3.091   2.685
  252    H    ASN  33           H        ASN  33  -4.279  -4.688   4.387
  253    HA   ASN  33           HA       ASN  33  -4.398  -2.526   6.276
  254    HB2  ASN  33           2HB      ASN  33  -3.831  -4.013   7.962
  255    HB3  ASN  33           1HB      ASN  33  -4.948  -4.856   6.935
  256   HD21  ASN  33          1HD2      ASN  33  -2.711  -5.348   5.011
  257   HD22  ASN  33          2HD2      ASN  33  -1.881  -6.701   5.699
  258    H    ALA  34           H        ALA  34  -2.944  -1.074   6.529
  259    HA   ALA  34           HA       ALA  34  -1.130  -0.803   4.452
  260    HB1  ALA  34           1HB      ALA  34  -0.549   1.327   5.404
  261    HB2  ALA  34           2HB      ALA  34  -1.252   0.855   6.950
  262    HB3  ALA  34           3HB      ALA  34  -2.288   1.065   5.538
  263    H    GLU  35           H        GLU  35  -0.356  -1.450   7.880
  264    HA   GLU  35           HA       GLU  35   2.250  -1.013   7.694
  265    HB2  GLU  35           2HB      GLU  35   0.309  -2.135   9.433
  266    HB3  GLU  35           1HB      GLU  35   1.851  -2.883   9.591
  267    HG2  GLU  35           2HG      GLU  35   1.882  -1.207  11.119
  268    HG3  GLU  35           1HG      GLU  35   2.792  -0.589   9.769
  269    H    PHE  36           H        PHE  36   0.445  -3.838   7.477
  270    HA   PHE  36           HA       PHE  36   2.477  -5.685   6.945
  271    HB2  PHE  36           2HB      PHE  36  -0.485  -5.563   6.713
  272    HB3  PHE  36           1HB      PHE  36   0.323  -6.894   5.912
  273    HD1  PHE  36           1HD      PHE  36   0.593  -5.044   9.089
  274    HD2  PHE  36           2HD      PHE  36   0.426  -8.854   7.223
  275    HE1  PHE  36           1HE      PHE  36   0.780  -6.052  11.215
  276    HE2  PHE  36           2HE      PHE  36   0.610  -9.928   9.438
  277    HZ   PHE  36           HZ       PHE  36   0.790  -8.526  11.464
  278    H    ALA  37           H        ALA  37   0.529  -3.615   4.925
  279    HA   ALA  37           HA       ALA  37   1.120  -4.942   2.494
  280    HB1  ALA  37           1HB      ALA  37   0.179  -2.152   3.052
  281    HB2  ALA  37           2HB      ALA  37  -0.843  -3.572   2.824
  282    HB3  ALA  37           3HB      ALA  37   0.135  -2.964   1.488
  283    H    ALA  38           H        ALA  38   2.387  -2.063   4.076
  284    HA   ALA  38           HA       ALA  38   4.239  -1.285   2.160
  285    HB1  ALA  38           1HB      ALA  38   3.629   0.110   4.065
  286    HB2  ALA  38           2HB      ALA  38   5.375  -0.120   3.979
  287    HB3  ALA  38           3HB      ALA  38   4.422  -1.025   5.155
  288    H    SER  39           H        SER  39   4.445  -3.645   4.754
  289    HA   SER  39           HA       SER  39   7.299  -3.882   4.575
  290    HB2  SER  39           2HB      SER  39   5.266  -5.598   6.030
  291    HB3  SER  39           1HB      SER  39   7.014  -5.622   6.287
  292    HG   SER  39           HG       SER  39   5.210  -3.485   6.816
  293    H    LEU  40           H        LEU  40   4.479  -5.183   3.234
  294    HA   LEU  40           HA       LEU  40   5.693  -7.549   2.177
  295    HB2  LEU  40           2HB      LEU  40   3.232  -6.991   2.882
  296    HB3  LEU  40           1HB      LEU  40   3.132  -6.360   1.268
  297    HG   LEU  40           HG       LEU  40   2.261  -8.577   1.186
  298   HD11  LEU  40          1HD1      LEU  40   3.780  -9.806  -0.261
  299   HD12  LEU  40          2HD1      LEU  40   5.113  -8.761   0.228
  300   HD13  LEU  40          3HD1      LEU  40   3.760  -8.093  -0.686
  301   HD21  LEU  40          3HD2      LEU  40   3.101  -9.337   3.325
  302   HD22  LEU  40          1HD2      LEU  40   4.734  -9.445   2.669
  303   HD23  LEU  40          2HD2      LEU  40   3.469 -10.517   2.067
  304    H    LEU  41           H        LEU  41   4.716  -4.263   1.074
  305    HA   LEU  41           HA       LEU  41   5.249  -4.873  -1.637
  306    HB2  LEU  41           2HB      LEU  41   4.692  -2.687  -2.129
  307    HB3  LEU  41           1HB      LEU  41   3.691  -3.136  -0.767
  308    HG   LEU  41           HG       LEU  41   5.350  -1.912   0.683
  309   HD11  LEU  41          1HD1      LEU  41   6.717  -0.270  -0.402
  310   HD12  LEU  41          2HD1      LEU  41   6.219  -0.900  -1.976
  311   HD13  LEU  41          3HD1      LEU  41   7.140  -1.917  -0.867
  312   HD21  LEU  41          3HD2      LEU  41   4.380   0.263   0.128
  313   HD22  LEU  41          1HD2      LEU  41   3.180  -1.031   0.160
  314   HD23  LEU  41          2HD2      LEU  41   3.774  -0.418  -1.385
  315    H    PHE  42           H        PHE  42   7.058  -3.847   1.040
  316    HA   PHE  42           HA       PHE  42   9.294  -2.697   0.030
  317    HB2  PHE  42           2HB      PHE  42   8.553  -4.088   2.438
  318    HB3  PHE  42           1HB      PHE  42  10.238  -4.384   2.025
  319    HD1  PHE  42           1HD      PHE  42   7.707  -1.880   2.270
  320    HD2  PHE  42           2HD      PHE  42  11.831  -2.710   2.596
  321    HE1  PHE  42           1HE      PHE  42   8.088   0.377   3.014
  322    HE2  PHE  42           2HE      PHE  42  12.252  -0.412   3.400
  323    HZ   PHE  42           HZ       PHE  42  10.355   1.160   3.615
  324    H    GLN  43           H        GLN  43   8.221  -5.991  -0.273
  325    HA   GLN  43           HA       GLN  43   9.089  -7.935  -0.795
  326    HB2  GLN  43           2HB      GLN  43   9.533  -5.886  -2.748
  327    HB3  GLN  43           1HB      GLN  43  10.715  -7.153  -2.862
  328    HG2  GLN  43           2HG      GLN  43   8.685  -7.487  -4.272
  329    HG3  GLN  43           1HG      GLN  43   9.100  -8.790  -3.175
  330   HE21  GLN  43          1HE2      GLN  43   6.949  -6.027  -3.509
  331   HE22  GLN  43          2HE2      GLN  43   5.666  -6.698  -2.555
  332    H    SER  44           H        SER  44  10.307  -6.859   1.320
  333    HA   SER  44           HA       SER  44  12.106  -6.930   2.687
  334    HB2  SER  44           2HB      SER  44  12.700  -9.176   0.784
  335    HB3  SER  44           1HB      SER  44  13.611  -8.915   2.273
  336    HG   SER  44           HG       SER  44  11.581  -9.111   3.400
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1 -10.322  -4.641   4.806
    2    H2   GLY   1           2HT      GLY   1 -11.357  -5.955   4.517
    3    H3   GLY   1           3HT      GLY   1 -10.981  -5.508   6.108
    4    HA2  GLY   1           1HA      GLY   1 -13.202  -4.779   5.509
    5    HA3  GLY   1           2HA      GLY   1 -12.136  -3.422   5.848
    6    H    SER   2           H        SER   2 -13.204  -1.936   4.604
    7    HA   SER   2           HA       SER   2 -13.359  -2.499   1.724
    8    HB2  SER   2           2HB      SER   2 -14.908  -0.491   1.713
    9    HB3  SER   2           1HB      SER   2 -15.508  -1.907   2.576
   10    HG   SER   2           HG       SER   2 -14.871   0.594   3.513
   11    H    ALA   3           H        ALA   3 -11.658  -0.786   4.087
   12    HA   ALA   3           HA       ALA   3 -10.640   1.207   2.208
   13    HB1  ALA   3           1HB      ALA   3 -11.136   1.949   4.480
   14    HB2  ALA   3           2HB      ALA   3  -9.415   2.104   4.131
   15    HB3  ALA   3           3HB      ALA   3  -9.996   0.768   5.126
   16    H    THR   4           H        THR   4  -9.655  -0.309   0.787
   17    HA   THR   4           HA       THR   4  -7.484  -1.886   1.795
   18    HB   THR   4           HB       THR   4  -7.334  -2.525  -0.711
   19    HG1  THR   4           1HG      THR   4 -10.063  -2.057  -0.810
   20   HG21  THR   4          3HG2      THR   4  -9.683  -3.374   0.985
   21   HG22  THR   4          1HG2      THR   4  -8.053  -4.037   1.095
   22   HG23  THR   4          2HG2      THR   4  -9.000  -4.266  -0.374
   23    H    PHE   5           H        PHE   5  -7.906   0.241  -0.706
   24    HA   PHE   5           HA       PHE   5  -5.100   1.063  -0.736
   25    HB2  PHE   5           2HB      PHE   5  -7.125   1.231  -2.815
   26    HB3  PHE   5           1HB      PHE   5  -5.387   1.232  -3.078
   27    HD1  PHE   5           1HD      PHE   5  -4.607  -0.971  -1.489
   28    HD2  PHE   5           2HD      PHE   5  -7.977  -0.629  -4.010
   29    HE1  PHE   5           1HE      PHE   5  -4.658  -3.252  -1.693
   30    HE2  PHE   5           2HE      PHE   5  -8.022  -3.105  -4.200
   31    HZ   PHE   5           HZ       PHE   5  -6.290  -4.400  -2.952
   32    HA   PRO   6           HA       PRO   6  -8.123   4.879  -0.382
   33    HB2  PRO   6           2HB      PRO   6  -7.736   5.489   2.227
   34    HB3  PRO   6           1HB      PRO   6  -9.021   4.456   1.633
   35    HG2  PRO   6           2HG      PRO   6  -6.464   3.686   2.780
   36    HG3  PRO   6           1HG      PRO   6  -8.083   3.058   3.072
   37    HD2  PRO   6           2HD      PRO   6  -6.387   1.802   1.429
   38    HD3  PRO   6           1HD      PRO   6  -8.097   1.818   1.091
   39    H    GLU   7           H        GLU   7  -7.431   7.002  -0.330
   40    HA   GLU   7           HA       GLU   7  -4.867   7.324  -1.272
   41    HB2  GLU   7           2HB      GLU   7  -5.371   9.784  -1.122
   42    HB3  GLU   7           1HB      GLU   7  -6.482   8.811  -2.069
   43    HG2  GLU   7           2HG      GLU   7  -7.992   9.993  -0.891
   44    HG3  GLU   7           1HG      GLU   7  -7.709   8.677   0.245
   45    H    GLN   8           H        GLN   8  -6.069   7.725   1.986
   46    HA   GLN   8           HA       GLN   8  -3.933   9.049   3.155
   47    HB2  GLN   8           2HB      GLN   8  -4.851   6.739   4.704
   48    HB3  GLN   8           1HB      GLN   8  -4.868   8.441   5.129
   49    HG2  GLN   8           2HG      GLN   8  -6.868   8.654   3.634
   50    HG3  GLN   8           1HG      GLN   8  -6.894   6.903   3.542
   51   HE21  GLN   8          1HE2      GLN   8  -5.982   6.606   6.315
   52   HE22  GLN   8          2HE2      GLN   8  -7.349   6.965   7.306
   53    H    THR   9           H        THR   9  -4.370   5.533   3.001
   54    HA   THR   9           HA       THR   9  -1.843   4.906   3.910
   55    HB   THR   9           HB       THR   9  -2.389   2.634   3.149
   56    HG1  THR   9           1HG      THR   9  -4.201   2.240   2.020
   57   HG21  THR   9          3HG2      THR   9  -3.075   3.397   5.354
   58   HG22  THR   9          1HG2      THR   9  -4.272   2.298   4.670
   59   HG23  THR   9          2HG2      THR   9  -4.565   4.037   4.662
   60    H    ILE  10           H        ILE  10  -3.179   5.370   0.823
   61    HA   ILE  10           HA       ILE  10  -1.205   4.435  -0.847
   62    HB   ILE  10           HB       ILE  10  -3.016   6.806  -1.081
   63   HG12  ILE  10          2HG1      ILE  10  -2.957   4.123  -2.467
   64   HG13  ILE  10          1HG1      ILE  10  -4.021   4.565  -1.137
   65   HG21  ILE  10          1HG2      ILE  10  -1.016   7.273  -2.366
   66   HG22  ILE  10          2HG2      ILE  10  -2.384   6.944  -3.426
   67   HG23  ILE  10          3HG2      ILE  10  -1.152   5.709  -3.168
   68   HD11  ILE  10          3HD1      ILE  10  -3.965   5.874  -3.826
   69   HD12  ILE  10          1HD1      ILE  10  -5.051   6.258  -2.492
   70   HD13  ILE  10          2HD1      ILE  10  -5.144   4.681  -3.278
   71    H    LYS  11           H        LYS  11  -1.600   7.635   0.530
   72    HA   LYS  11           HA       LYS  11   0.850   8.610  -0.371
   73    HB2  LYS  11           2HB      LYS  11  -0.932   9.585   1.830
   74    HB3  LYS  11           1HB      LYS  11   0.412  10.493   1.152
   75    HG2  LYS  11           2HG      LYS  11  -0.646  10.731  -0.919
   76    HG3  LYS  11           1HG      LYS  11  -1.817   9.449  -0.557
   77    HD2  LYS  11           2HD      LYS  11  -2.883  10.855   1.100
   78    HD3  LYS  11           1HD      LYS  11  -1.652  12.101   0.892
   79    HE2  LYS  11           2HE      LYS  11  -2.378  12.473  -1.391
   80    HE3  LYS  11           1HE      LYS  11  -3.554  11.166  -1.253
   81    HZ1  LYS  11           3HZ      LYS  11  -3.584  13.599   0.449
   82    HZ2  LYS  11           1HZ      LYS  11  -4.782  12.400   0.351
   83    HZ3  LYS  11           2HZ      LYS  11  -4.497  13.426  -0.967
   84    H    GLN  12           H        GLN  12  -0.033   6.870   2.582
   85    HA   GLN  12           HA       GLN  12   2.293   7.336   3.988
   86    HB2  GLN  12           2HB      GLN  12   0.041   5.482   3.913
   87    HB3  GLN  12           1HB      GLN  12   1.500   4.804   4.578
   88    HG2  GLN  12           2HG      GLN  12   0.378   5.676   6.391
   89    HG3  GLN  12           1HG      GLN  12   1.608   6.868   6.008
   90   HE21  GLN  12          1HE2      GLN  12   1.023   8.841   5.152
   91   HE22  GLN  12          2HE2      GLN  12  -0.610   9.400   5.177
   92    H    LEU  13           H        LEU  13   1.579   5.093   1.370
   93    HA   LEU  13           HA       LEU  13   4.105   3.770   1.721
   94    HB2  LEU  13           2HB      LEU  13   1.911   3.305  -0.273
   95    HB3  LEU  13           1HB      LEU  13   3.298   2.278   0.006
   96    HG   LEU  13           HG       LEU  13   1.150   2.914   1.969
   97   HD11  LEU  13          1HD1      LEU  13   0.606   0.539   1.870
   98   HD12  LEU  13          2HD1      LEU  13   1.878   0.298   0.665
   99   HD13  LEU  13          3HD1      LEU  13   0.470   1.285   0.274
  100   HD21  LEU  13          3HD2      LEU  13   3.622   1.236   2.308
  101   HD22  LEU  13          1HD2      LEU  13   2.280   1.298   3.453
  102   HD23  LEU  13          2HD2      LEU  13   3.238   2.746   3.136
  103    H    MET  14           H        MET  14   2.426   5.747  -0.701
  104    HA   MET  14           HA       MET  14   4.444   6.385  -2.398
  105    HB2  MET  14           2HB      MET  14   2.562   8.306  -1.040
  106    HB3  MET  14           1HB      MET  14   3.439   8.556  -2.538
  107    HG2  MET  14           2HG      MET  14   2.030   6.208  -2.910
  108    HG3  MET  14           1HG      MET  14   0.922   7.282  -2.089
  109    HE1  MET  14           3HE      MET  14   3.472   6.846  -4.292
  110    HE2  MET  14           1HE      MET  14   3.610   8.344  -5.240
  111    HE3  MET  14           2HE      MET  14   2.724   6.961  -5.905
  112    H    ASP  15           H        ASP  15   3.966   7.230   0.900
  113    HA   ASP  15           HA       ASP  15   5.812   9.305   1.216
  114    HB2  ASP  15           2HB      ASP  15   4.036   8.944   2.776
  115    HB3  ASP  15           1HB      ASP  15   4.630   7.336   3.166
  116    H    LEU  16           H        LEU  16   6.231   5.714   1.707
  117    HA   LEU  16           HA       LEU  16   8.851   5.834   2.563
  118    HB2  LEU  16           2HB      LEU  16   7.122   3.984   1.058
  119    HB3  LEU  16           1HB      LEU  16   8.788   3.626   1.278
  120    HG   LEU  16           HG       LEU  16   7.812   2.541   2.946
  121   HD11  LEU  16          1HD1      LEU  16   8.429   3.604   5.029
  122   HD12  LEU  16          2HD1      LEU  16   8.485   5.159   4.197
  123   HD13  LEU  16          3HD1      LEU  16   9.647   3.899   3.785
  124   HD21  LEU  16          3HD2      LEU  16   5.609   3.390   2.652
  125   HD22  LEU  16          1HD2      LEU  16   6.071   4.876   3.473
  126   HD23  LEU  16          2HD2      LEU  16   6.039   3.352   4.362
  127    H    GLY  17           H        GLY  17   7.419   6.441  -0.480
  128    HA2  GLY  17           2HA      GLY  17   8.826   7.763  -2.060
  129    HA3  GLY  17           1HA      GLY  17  10.055   6.527  -1.811
  130    H    PHE  18           H        PHE  18   6.899   5.357  -1.774
  131    HA   PHE  18           HA       PHE  18   7.441   3.919  -4.237
  132    HB2  PHE  18           2HB      PHE  18   5.527   3.496  -1.974
  133    HB3  PHE  18           1HB      PHE  18   5.650   2.409  -3.333
  134    HD1  PHE  18           2HD      PHE  18   8.463   2.180  -3.879
  135    HD2  PHE  18           1HD      PHE  18   6.358   2.588  -0.294
  136    HE1  PHE  18           2HE      PHE  18  10.333   1.120  -2.658
  137    HE2  PHE  18           1HE      PHE  18   8.124   1.604   0.915
  138    HZ   PHE  18           HZ       PHE  18  10.119   0.858  -0.217
  139    HA   PRO  19           HA       PRO  19   4.038   5.677  -6.477
  140    HB2  PRO  19           2HB      PRO  19   3.304   3.664  -8.009
  141    HB3  PRO  19           1HB      PRO  19   4.946   4.295  -8.119
  142    HG2  PRO  19           2HG      PRO  19   3.986   1.946  -6.561
  143    HG3  PRO  19           1HG      PRO  19   5.275   2.065  -7.762
  144    HD2  PRO  19           2HD      PRO  19   5.802   2.256  -5.106
  145    HD3  PRO  19           1HD      PRO  19   6.716   3.173  -6.330
  146    H    ARG  20           H        ARG  20   1.828   5.431  -6.965
  147    HA   ARG  20           HA       ARG  20   0.081   4.722  -4.870
  148    HB2  ARG  20           2HB      ARG  20  -0.646   6.338  -6.445
  149    HB3  ARG  20           1HB      ARG  20  -0.266   5.305  -7.801
  150    HG2  ARG  20           2HG      ARG  20  -2.090   3.832  -7.220
  151    HG3  ARG  20           1HG      ARG  20  -2.470   4.858  -5.844
  152    HD2  ARG  20           2HD      ARG  20  -2.925   6.722  -7.339
  153    HD3  ARG  20           1HD      ARG  20  -2.491   5.728  -8.724
  154    HE   ARG  20           HE       ARG  20  -4.634   4.634  -7.150
  155   HH11  ARG  20          1HH1      ARG  20  -3.790   6.841  -9.731
  156   HH12  ARG  20          2HH1      ARG  20  -5.353   6.752 -10.494
  157   HH21  ARG  20          1HH2      ARG  20  -6.700   4.536  -8.113
  158   HH22  ARG  20          2HH2      ARG  20  -7.022   5.470  -9.551
  159    H    ASP  21           H        ASP  21   1.050   3.207  -7.830
  160    HA   ASP  21           HA       ASP  21  -0.437   0.863  -7.765
  161    HB2  ASP  21           2HB      ASP  21   2.404   1.210  -8.749
  162    HB3  ASP  21           1HB      ASP  21   1.311  -0.099  -9.189
  163    H    ALA  22           H        ALA  22   2.301   1.830  -5.821
  164    HA   ALA  22           HA       ALA  22   3.016  -0.830  -5.016
  165    HB1  ALA  22           1HB      ALA  22   4.364   0.236  -3.286
  166    HB2  ALA  22           2HB      ALA  22   3.631   1.794  -3.667
  167    HB3  ALA  22           3HB      ALA  22   4.641   0.978  -4.861
  168    H    VAL  23           H        VAL  23   0.768   1.618  -3.873
  169    HA   VAL  23           HA       VAL  23   0.119   0.350  -1.434
  170    HB   VAL  23           HB       VAL  23  -0.639   2.719  -2.654
  171   HG11  VAL  23          1HG1      VAL  23  -3.038   0.945  -2.425
  172   HG12  VAL  23          2HG1      VAL  23  -2.373   1.651  -3.901
  173   HG13  VAL  23          3HG1      VAL  23  -3.083   2.694  -2.662
  174   HG21  VAL  23          3HG2      VAL  23  -0.532   2.878  -0.411
  175   HG22  VAL  23          1HG2      VAL  23  -1.316   1.304  -0.165
  176   HG23  VAL  23          2HG2      VAL  23  -2.296   2.704  -0.592
  177    H    VAL  24           H        VAL  24  -1.269   0.303  -4.623
  178    HA   VAL  24           HA       VAL  24  -3.270  -1.507  -3.978
  179    HB   VAL  24           HB       VAL  24  -2.010  -0.697  -6.564
  180   HG11  VAL  24          1HG1      VAL  24  -3.829  -1.952  -7.719
  181   HG12  VAL  24          2HG1      VAL  24  -4.278  -2.671  -6.168
  182   HG13  VAL  24          3HG1      VAL  24  -2.701  -3.021  -6.878
  183   HG21  VAL  24          3HG2      VAL  24  -4.298   0.265  -6.877
  184   HG22  VAL  24          1HG2      VAL  24  -3.414   0.922  -5.498
  185   HG23  VAL  24          2HG2      VAL  24  -4.686  -0.274  -5.238
  186    H    LYS  25           H        LYS  25  -0.069  -2.220  -5.436
  187    HA   LYS  25           HA       LYS  25  -0.603  -4.965  -5.728
  188    HB2  LYS  25           2HB      LYS  25   1.994  -3.473  -5.381
  189    HB3  LYS  25           1HB      LYS  25   1.902  -5.194  -5.731
  190    HG2  LYS  25           2HG      LYS  25   0.812  -4.758  -7.833
  191    HG3  LYS  25           1HG      LYS  25   0.743  -3.030  -7.469
  192    HD2  LYS  25           2HD      LYS  25   3.133  -2.886  -7.480
  193    HD3  LYS  25           1HD      LYS  25   3.285  -4.631  -7.706
  194    HE2  LYS  25           2HE      LYS  25   1.937  -4.281  -9.852
  195    HE3  LYS  25           1HE      LYS  25   2.281  -2.564  -9.642
  196    HZ1  LYS  25           3HZ      LYS  25   3.934  -3.464 -11.063
  197    HZ2  LYS  25           1HZ      LYS  25   4.239  -4.760 -10.012
  198    HZ3  LYS  25           2HZ      LYS  25   4.679  -3.187  -9.564
  199    H    ALA  26           H        ALA  26   0.538  -3.057  -2.996
  200    HA   ALA  26           HA       ALA  26   1.397  -5.415  -1.556
  201    HB1  ALA  26           1HB      ALA  26   2.004  -3.843   0.203
  202    HB2  ALA  26           2HB      ALA  26   1.222  -2.536  -0.686
  203    HB3  ALA  26           3HB      ALA  26   2.649  -3.328  -1.355
  204    H    LEU  27           H        LEU  27  -1.196  -3.039  -1.461
  205    HA   LEU  27           HA       LEU  27  -2.324  -4.095   0.926
  206    HB2  LEU  27           2HB      LEU  27  -3.314  -2.166  -1.144
  207    HB3  LEU  27           1HB      LEU  27  -4.243  -2.594   0.270
  208    HG   LEU  27           HG       LEU  27  -2.890  -0.413   0.238
  209   HD11  LEU  27          1HD1      LEU  27  -3.982  -1.358   2.210
  210   HD12  LEU  27          2HD1      LEU  27  -2.456  -0.566   2.610
  211   HD13  LEU  27          3HD1      LEU  27  -2.542  -2.326   2.507
  212   HD21  LEU  27          3HD2      LEU  27  -0.731  -2.307   0.934
  213   HD22  LEU  27          1HD2      LEU  27  -0.645  -0.545   0.982
  214   HD23  LEU  27          2HD2      LEU  27  -0.854  -1.382  -0.560
  215    H    LYS  28           H        LYS  28  -2.800  -4.575  -2.539
  216    HA   LYS  28           HA       LYS  28  -4.945  -6.319  -2.345
  217    HB2  LYS  28           2HB      LYS  28  -2.653  -6.206  -4.238
  218    HB3  LYS  28           1HB      LYS  28  -3.796  -7.499  -4.368
  219    HG2  LYS  28           2HG      LYS  28  -4.446  -4.564  -4.537
  220    HG3  LYS  28           1HG      LYS  28  -4.211  -5.645  -5.928
  221    HD2  LYS  28           2HD      LYS  28  -6.052  -6.275  -3.740
  222    HD3  LYS  28           1HD      LYS  28  -6.598  -5.255  -5.073
  223    HE2  LYS  28           2HE      LYS  28  -5.908  -7.104  -6.617
  224    HE3  LYS  28           1HE      LYS  28  -5.588  -8.102  -5.198
  225    HZ1  LYS  28           3HZ      LYS  28  -7.941  -7.791  -4.560
  226    HZ2  LYS  28           1HZ      LYS  28  -7.751  -8.607  -6.036
  227    HZ3  LYS  28           2HZ      LYS  28  -8.206  -6.976  -6.026
  228    H    GLN  29           H        GLN  29  -1.438  -6.975  -1.894
  229    HA   GLN  29           HA       GLN  29  -1.782  -9.750  -1.511
  230    HB2  GLN  29           2HB      GLN  29   0.377  -7.813  -0.759
  231    HB3  GLN  29           1HB      GLN  29   0.537  -9.535  -0.617
  232    HG2  GLN  29           2HG      GLN  29   0.309  -9.814  -2.953
  233    HG3  GLN  29           1HG      GLN  29  -0.096  -8.122  -3.170
  234   HE21  GLN  29          1HE2      GLN  29   1.989  -7.096  -1.456
  235   HE22  GLN  29          2HE2      GLN  29   3.448  -7.325  -2.302
  236    H    THR  30           H        THR  30  -2.006  -6.988   0.618
  237    HA   THR  30           HA       THR  30  -2.033  -8.683   2.993
  238    HB   THR  30           HB       THR  30  -1.911  -6.494   4.161
  239    HG1  THR  30           1HG      THR  30  -1.201  -5.212   1.801
  240   HG21  THR  30          3HG2      THR  30   0.195  -6.957   2.063
  241   HG22  THR  30          1HG2      THR  30   0.116  -7.760   3.634
  242   HG23  THR  30          2HG2      THR  30   0.404  -6.020   3.547
  243    H    ASN  31           H        ASN  31  -4.132  -7.202   0.872
  244    HA   ASN  31           HA       ASN  31  -6.314  -6.720   0.789
  245    HB2  ASN  31           2HB      ASN  31  -6.293  -8.414   3.251
  246    HB3  ASN  31           1HB      ASN  31  -7.753  -7.529   2.826
  247   HD21  ASN  31          1HD2      ASN  31  -5.519  -8.786   0.455
  248   HD22  ASN  31          2HD2      ASN  31  -6.572  -9.999  -0.177
  249    H    GLY  32           H        GLY  32  -4.758  -4.642   1.416
  250    HA2  GLY  32           2HA      GLY  32  -5.315  -2.488   1.806
  251    HA3  GLY  32           1HA      GLY  32  -6.798  -3.022   2.570
  252    H    ASN  33           H        ASN  33  -4.192  -4.489   4.314
  253    HA   ASN  33           HA       ASN  33  -4.379  -2.282   6.163
  254    HB2  ASN  33           2HB      ASN  33  -3.817  -3.726   7.891
  255    HB3  ASN  33           1HB      ASN  33  -4.898  -4.618   6.863
  256   HD21  ASN  33          1HD2      ASN  33  -2.592  -5.046   4.985
  257   HD22  ASN  33          2HD2      ASN  33  -1.748  -6.374   5.697
  258    H    ALA  34           H        ALA  34  -2.778  -0.973   6.786
  259    HA   ALA  34           HA       ALA  34  -0.974  -0.568   4.628
  260    HB1  ALA  34           1HB      ALA  34  -1.246   1.076   7.122
  261    HB2  ALA  34           2HB      ALA  34  -2.290   1.209   5.707
  262    HB3  ALA  34           3HB      ALA  34  -0.570   1.585   5.575
  263    H    GLU  35           H        GLU  35  -0.271  -1.492   8.013
  264    HA   GLU  35           HA       GLU  35   2.385  -0.949   7.858
  265    HB2  GLU  35           2HB      GLU  35   0.598  -1.893   9.678
  266    HB3  GLU  35           1HB      GLU  35   1.745  -3.186   9.493
  267    HG2  GLU  35           2HG      GLU  35   2.623  -0.417   9.917
  268    HG3  GLU  35           1HG      GLU  35   2.076  -1.388  11.250
  269    H    PHE  36           H        PHE  36   0.602  -3.748   7.488
  270    HA   PHE  36           HA       PHE  36   2.606  -5.515   6.656
  271    HB2  PHE  36           2HB      PHE  36  -0.372  -5.383   6.479
  272    HB3  PHE  36           1HB      PHE  36   0.466  -6.639   5.595
  273    HD1  PHE  36           1HD      PHE  36   0.794  -5.053   8.916
  274    HD2  PHE  36           2HD      PHE  36   0.445  -8.682   6.741
  275    HE1  PHE  36           1HE      PHE  36   0.951  -6.248  10.950
  276    HE2  PHE  36           2HE      PHE  36   0.600  -9.945   8.857
  277    HZ   PHE  36           HZ       PHE  36   0.857  -8.725  10.990
  278    H    ALA  37           H        ALA  37   0.857  -2.999   5.116
  279    HA   ALA  37           HA       ALA  37   0.981  -3.871   2.438
  280    HB1  ALA  37           1HB      ALA  37   0.450  -1.553   1.943
  281    HB2  ALA  37           2HB      ALA  37   0.830  -1.107   3.606
  282    HB3  ALA  37           3HB      ALA  37  -0.540  -2.165   3.265
  283    H    ALA  38           H        ALA  38   2.885  -1.496   4.197
  284    HA   ALA  38           HA       ALA  38   4.683  -0.872   2.195
  285    HB1  ALA  38           1HB      ALA  38   6.123  -0.008   3.957
  286    HB2  ALA  38           2HB      ALA  38   5.157  -0.846   5.168
  287    HB3  ALA  38           3HB      ALA  38   4.446   0.464   4.227
  288    H    SER  39           H        SER  39   4.668  -3.465   4.588
  289    HA   SER  39           HA       SER  39   7.389  -4.174   4.121
  290    HB2  SER  39           2HB      SER  39   5.158  -5.738   5.445
  291    HB3  SER  39           1HB      SER  39   6.887  -6.056   5.599
  292    HG   SER  39           HG       SER  39   5.360  -3.924   6.649
  293    H    LEU  40           H        LEU  40   4.279  -4.860   2.792
  294    HA   LEU  40           HA       LEU  40   5.102  -7.250   1.448
  295    HB2  LEU  40           2HB      LEU  40   2.733  -5.941   2.286
  296    HB3  LEU  40           1HB      LEU  40   2.669  -6.110   0.587
  297    HG   LEU  40           HG       LEU  40   1.563  -8.017   1.532
  298   HD11  LEU  40          1HD1      LEU  40   4.317  -8.888   0.683
  299   HD12  LEU  40          2HD1      LEU  40   2.974  -8.526  -0.402
  300   HD13  LEU  40          3HD1      LEU  40   2.864  -9.887   0.712
  301   HD21  LEU  40          3HD2      LEU  40   4.066  -8.470   3.152
  302   HD22  LEU  40          1HD2      LEU  40   2.623  -9.484   3.149
  303   HD23  LEU  40          2HD2      LEU  40   2.540  -7.834   3.769
  304    H    LEU  41           H        LEU  41   4.625  -3.787   0.786
  305    HA   LEU  41           HA       LEU  41   5.095  -4.246  -1.993
  306    HB2  LEU  41           2HB      LEU  41   4.984  -1.940  -2.287
  307    HB3  LEU  41           1HB      LEU  41   3.801  -2.366  -1.066
  308    HG   LEU  41           HG       LEU  41   5.467  -1.617   0.641
  309   HD11  LEU  41          1HD1      LEU  41   7.393  -1.777  -0.773
  310   HD12  LEU  41          2HD1      LEU  41   7.217  -0.157  -0.090
  311   HD13  LEU  41          3HD1      LEU  41   6.777  -0.464  -1.774
  312   HD21  LEU  41          3HD2      LEU  41   3.536  -0.334   0.041
  313   HD22  LEU  41          1HD2      LEU  41   4.378   0.334  -1.355
  314   HD23  LEU  41          2HD2      LEU  41   4.916   0.743   0.277
  315    H    PHE  42           H        PHE  42   6.946  -4.006   0.806
  316    HA   PHE  42           HA       PHE  42   9.271  -2.779  -0.067
  317    HB2  PHE  42           2HB      PHE  42   8.362  -4.007   2.307
  318    HB3  PHE  42           1HB      PHE  42   9.968  -4.643   1.949
  319    HD1  PHE  42           1HD      PHE  42   7.948  -1.722   2.223
  320    HD2  PHE  42           2HD      PHE  42  11.882  -3.242   2.332
  321    HE1  PHE  42           1HE      PHE  42   8.744   0.449   2.908
  322    HE2  PHE  42           2HE      PHE  42  12.732  -1.041   3.065
  323    HZ   PHE  42           HZ       PHE  42  11.151   0.835   3.358
  324    H    GLN  43           H        GLN  43   8.087  -5.983  -0.784
  325    HA   GLN  43           HA       GLN  43  10.604  -7.223  -1.241
  326    HB2  GLN  43           2HB      GLN  43   7.939  -7.654  -2.522
  327    HB3  GLN  43           1HB      GLN  43   9.320  -8.681  -2.826
  328    HG2  GLN  43           2HG      GLN  43   8.707  -9.927  -1.099
  329    HG3  GLN  43           1HG      GLN  43   9.124  -8.575  -0.053
  330   HE21  GLN  43          1HE2      GLN  43   6.421  -8.704  -2.315
  331   HE22  GLN  43          2HE2      GLN  43   5.194  -8.559  -1.124
  332    H    SER  44           H        SER  44   9.154  -4.641  -2.787
  333    HA   SER  44           HA       SER  44  10.209  -5.026  -5.420
  334    HB2  SER  44           2HB      SER  44   8.235  -3.573  -4.882
  335    HB3  SER  44           1HB      SER  44   9.337  -2.439  -4.108
  336    HG   SER  44           HG       SER  44  10.226  -1.944  -6.041
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1 -16.856   3.972  -0.987
    2    H2   GLY   1           2HT      GLY   1 -16.507   5.408  -0.149
    3    H3   GLY   1           3HT      GLY   1 -16.557   3.928   0.678
    4    HA2  GLY   1           1HA      GLY   1 -14.627   4.481  -1.495
    5    HA3  GLY   1           2HA      GLY   1 -14.275   4.812   0.195
    6    H    SER   2           H        SER   2 -12.514   3.223  -0.522
    7    HA   SER   2           HA       SER   2 -13.354   0.642   0.558
    8    HB2  SER   2           2HB      SER   2 -13.168   0.426  -1.945
    9    HB3  SER   2           1HB      SER   2 -11.470   0.881  -1.807
   10    HG   SER   2           HG       SER   2 -11.448  -1.302  -1.776
   11    H    ALA   3           H        ALA   3 -12.011  -0.044   2.127
   12    HA   ALA   3           HA       ALA   3  -9.911   1.835   2.859
   13    HB1  ALA   3           1HB      ALA   3 -11.613   1.294   4.507
   14    HB2  ALA   3           2HB      ALA   3 -10.017   0.781   5.055
   15    HB3  ALA   3           3HB      ALA   3 -11.160  -0.407   4.429
   16    H    THR   4           H        THR   4  -9.558  -0.250   0.746
   17    HA   THR   4           HA       THR   4  -7.489  -1.913   1.844
   18    HB   THR   4           HB       THR   4  -7.297  -2.603  -0.627
   19    HG1  THR   4           1HG      THR   4  -9.438  -2.189  -1.644
   20   HG21  THR   4          3HG2      THR   4  -9.805  -3.197   0.949
   21   HG22  THR   4          1HG2      THR   4  -8.264  -4.036   1.110
   22   HG23  THR   4          2HG2      THR   4  -9.179  -4.155  -0.392
   23    H    PHE   5           H        PHE   5  -7.733   0.108  -0.763
   24    HA   PHE   5           HA       PHE   5  -4.935   0.963  -0.689
   25    HB2  PHE   5           2HB      PHE   5  -6.918   1.110  -2.815
   26    HB3  PHE   5           1HB      PHE   5  -5.171   1.101  -3.041
   27    HD1  PHE   5           1HD      PHE   5  -4.484  -1.078  -1.357
   28    HD2  PHE   5           2HD      PHE   5  -7.706  -0.764  -4.058
   29    HE1  PHE   5           1HE      PHE   5  -4.532  -3.354  -1.528
   30    HE2  PHE   5           2HE      PHE   5  -7.753  -3.242  -4.214
   31    HZ   PHE   5           HZ       PHE   5  -6.093  -4.526  -2.851
   32    HA   PRO   6           HA       PRO   6  -7.803   4.874  -0.557
   33    HB2  PRO   6           2HB      PRO   6  -7.847   5.444   2.055
   34    HB3  PRO   6           1HB      PRO   6  -9.013   4.389   1.282
   35    HG2  PRO   6           2HG      PRO   6  -6.634   3.655   2.792
   36    HG3  PRO   6           1HG      PRO   6  -8.278   3.030   2.873
   37    HD2  PRO   6           2HD      PRO   6  -6.367   1.767   1.473
   38    HD3  PRO   6           1HD      PRO   6  -8.032   1.740   0.951
   39    H    GLU   7           H        GLU   7  -7.123   7.003  -0.030
   40    HA   GLU   7           HA       GLU   7  -4.479   7.483  -0.697
   41    HB2  GLU   7           2HB      GLU   7  -6.614   9.217   0.523
   42    HB3  GLU   7           1HB      GLU   7  -5.041   9.845   0.075
   43    HG2  GLU   7           2HG      GLU   7  -6.811   8.417  -1.875
   44    HG3  GLU   7           1HG      GLU   7  -6.913  10.155  -1.590
   45    H    GLN   8           H        GLN   8  -5.987   7.241   2.466
   46    HA   GLN   8           HA       GLN   8  -4.019   8.245   4.112
   47    HB2  GLN   8           2HB      GLN   8  -5.067   5.623   4.953
   48    HB3  GLN   8           1HB      GLN   8  -5.093   7.162   5.799
   49    HG2  GLN   8           2HG      GLN   8  -6.918   7.832   4.221
   50    HG3  GLN   8           1HG      GLN   8  -6.980   6.160   3.701
   51   HE21  GLN   8          1HE2      GLN   8  -7.556   8.360   6.345
   52   HE22  GLN   8          2HE2      GLN   8  -8.518   7.272   7.294
   53    H    THR   9           H        THR   9  -4.319   4.875   3.090
   54    HA   THR   9           HA       THR   9  -1.822   4.137   4.064
   55    HB   THR   9           HB       THR   9  -2.301   1.999   2.946
   56    HG1  THR   9           1HG      THR   9  -4.216   1.755   1.824
   57   HG21  THR   9          3HG2      THR   9  -3.089   2.385   5.217
   58   HG22  THR   9          1HG2      THR   9  -4.242   1.403   4.313
   59   HG23  THR   9          2HG2      THR   9  -4.561   3.118   4.578
   60    H    ILE  10           H        ILE  10  -3.100   4.932   0.992
   61    HA   ILE  10           HA       ILE  10  -1.041   4.325  -0.711
   62    HB   ILE  10           HB       ILE  10  -2.980   6.601  -0.730
   63   HG12  ILE  10          2HG1      ILE  10  -2.731   4.090  -2.384
   64   HG13  ILE  10          1HG1      ILE  10  -3.851   4.331  -1.049
   65   HG21  ILE  10          1HG2      ILE  10  -2.308   7.036  -3.025
   66   HG22  ILE  10          2HG2      ILE  10  -1.023   5.839  -2.878
   67   HG23  ILE  10          3HG2      ILE  10  -0.976   7.306  -1.903
   68   HD11  ILE  10          3HD1      ILE  10  -4.922   6.119  -2.268
   69   HD12  ILE  10          1HD1      ILE  10  -4.951   4.607  -3.171
   70   HD13  ILE  10          2HD1      ILE  10  -3.804   5.873  -3.610
   71    H    LYS  11           H        LYS  11  -1.600   7.371   0.963
   72    HA   LYS  11           HA       LYS  11   0.832   8.432   0.061
   73    HB2  LYS  11           2HB      LYS  11  -1.098   9.360   2.145
   74    HB3  LYS  11           1HB      LYS  11   0.327  10.282   1.673
   75    HG2  LYS  11           2HG      LYS  11  -0.466  10.584  -0.518
   76    HG3  LYS  11           1HG      LYS  11  -1.707   9.334  -0.322
   77    HD2  LYS  11           2HD      LYS  11  -3.143  10.767   0.679
   78    HD3  LYS  11           1HD      LYS  11  -1.866  11.576   1.585
   79    HE2  LYS  11           2HE      LYS  11  -2.985  13.063  -0.034
   80    HE3  LYS  11           1HE      LYS  11  -1.261  12.885  -0.345
   81    HZ1  LYS  11           3HZ      LYS  11  -3.347  11.324  -1.780
   82    HZ2  LYS  11           1HZ      LYS  11  -1.699  11.458  -2.167
   83    HZ3  LYS  11           2HZ      LYS  11  -2.720  12.795  -2.343
   84    H    GLN  12           H        GLN  12  -0.047   6.631   2.936
   85    HA   GLN  12           HA       GLN  12   2.251   7.137   4.386
   86    HB2  GLN  12           2HB      GLN  12   0.110   5.089   4.207
   87    HB3  GLN  12           1HB      GLN  12   1.508   4.755   5.167
   88    HG2  GLN  12           2HG      GLN  12   1.177   6.750   6.449
   89    HG3  GLN  12           1HG      GLN  12  -0.201   7.109   5.450
   90   HE21  GLN  12          1HE2      GLN  12  -2.084   5.997   5.689
   91   HE22  GLN  12          2HE2      GLN  12  -2.416   5.019   7.072
   92    H    LEU  13           H        LEU  13   1.594   4.833   1.777
   93    HA   LEU  13           HA       LEU  13   4.126   3.552   2.168
   94    HB2  LEU  13           2HB      LEU  13   2.040   3.170   0.050
   95    HB3  LEU  13           1HB      LEU  13   3.403   2.127   0.374
   96    HG   LEU  13           HG       LEU  13   1.134   2.689   2.215
   97   HD11  LEU  13          1HD1      LEU  13   0.660   0.284   1.948
   98   HD12  LEU  13          2HD1      LEU  13   1.941   0.199   0.736
   99   HD13  LEU  13          3HD1      LEU  13   0.510   1.187   0.440
  100   HD21  LEU  13          3HD2      LEU  13   3.506   0.891   2.653
  101   HD22  LEU  13          1HD2      LEU  13   2.127   1.073   3.737
  102   HD23  LEU  13          2HD2      LEU  13   3.215   2.434   3.457
  103    H    MET  14           H        MET  14   2.504   5.600  -0.223
  104    HA   MET  14           HA       MET  14   4.622   6.114  -1.917
  105    HB2  MET  14           2HB      MET  14   2.415   7.853  -0.838
  106    HB3  MET  14           1HB      MET  14   3.490   8.339  -2.134
  107    HG2  MET  14           2HG      MET  14   1.188   6.627  -2.221
  108    HG3  MET  14           1HG      MET  14   2.070   7.424  -3.480
  109    HE1  MET  14           3HE      MET  14   1.907   4.239  -1.270
  110    HE2  MET  14           1HE      MET  14   2.058   3.086  -2.596
  111    HE3  MET  14           2HE      MET  14   0.760   4.283  -2.607
  112    H    ASP  15           H        ASP  15   3.878   7.265   1.240
  113    HA   ASP  15           HA       ASP  15   5.802   9.222   1.627
  114    HB2  ASP  15           2HB      ASP  15   4.020   8.866   3.194
  115    HB3  ASP  15           1HB      ASP  15   4.564   7.226   3.529
  116    H    LEU  16           H        LEU  16   6.096   5.627   1.863
  117    HA   LEU  16           HA       LEU  16   8.763   5.804   2.860
  118    HB2  LEU  16           2HB      LEU  16   7.608   3.502   1.352
  119    HB3  LEU  16           1HB      LEU  16   8.777   3.490   2.646
  120    HG   LEU  16           HG       LEU  16   5.918   4.256   2.983
  121   HD11  LEU  16          1HD1      LEU  16   7.267   1.639   3.426
  122   HD12  LEU  16          2HD1      LEU  16   5.944   2.025   2.322
  123   HD13  LEU  16          3HD1      LEU  16   5.678   2.064   4.062
  124   HD21  LEU  16          3HD2      LEU  16   6.370   3.970   5.374
  125   HD22  LEU  16          1HD2      LEU  16   7.402   5.214   4.671
  126   HD23  LEU  16          2HD2      LEU  16   8.056   3.611   5.006
  127    H    GLY  17           H        GLY  17   7.431   6.450  -0.159
  128    HA2  GLY  17           2HA      GLY  17   8.856   7.441  -1.832
  129    HA3  GLY  17           1HA      GLY  17  10.102   6.286  -1.392
  130    H    PHE  18           H        PHE  18   6.758   5.338  -1.842
  131    HA   PHE  18           HA       PHE  18   7.612   3.728  -4.135
  132    HB2  PHE  18           2HB      PHE  18   5.378   3.427  -2.161
  133    HB3  PHE  18           1HB      PHE  18   5.710   2.289  -3.429
  134    HD1  PHE  18           2HD      PHE  18   8.503   1.846  -3.504
  135    HD2  PHE  18           1HD      PHE  18   5.943   2.724  -0.327
  136    HE1  PHE  18           2HE      PHE  18  10.091   0.801  -1.918
  137    HE2  PHE  18           1HE      PHE  18   7.409   1.761   1.214
  138    HZ   PHE  18           HZ       PHE  18   9.485   0.797   0.474
  139    HA   PRO  19           HA       PRO  19   4.286   5.453  -6.693
  140    HB2  PRO  19           2HB      PRO  19   3.717   3.452  -8.270
  141    HB3  PRO  19           1HB      PRO  19   5.384   4.032  -8.235
  142    HG2  PRO  19           2HG      PRO  19   4.211   1.771  -6.687
  143    HG3  PRO  19           1HG      PRO  19   5.558   1.775  -7.827
  144    HD2  PRO  19           2HD      PRO  19   5.984   2.061  -5.154
  145    HD3  PRO  19           1HD      PRO  19   6.985   2.905  -6.364
  146    H    ARG  20           H        ARG  20   2.084   5.093  -7.227
  147    HA   ARG  20           HA       ARG  20   0.441   4.501  -4.995
  148    HB2  ARG  20           2HB      ARG  20  -0.172   6.213  -6.562
  149    HB3  ARG  20           1HB      ARG  20  -0.097   5.092  -7.902
  150    HG2  ARG  20           2HG      ARG  20  -2.013   3.931  -7.131
  151    HG3  ARG  20           1HG      ARG  20  -2.054   4.906  -5.671
  152    HD2  ARG  20           2HD      ARG  20  -2.312   6.922  -7.124
  153    HD3  ARG  20           1HD      ARG  20  -2.480   5.835  -8.498
  154    HE   ARG  20           HE       ARG  20  -4.426   6.276  -6.358
  155   HH11  ARG  20          1HH1      ARG  20  -3.486   4.475  -9.219
  156   HH12  ARG  20          2HH1      ARG  20  -5.112   4.019  -9.614
  157   HH21  ARG  20          1HH2      ARG  20  -6.562   5.687  -6.886
  158   HH22  ARG  20          2HH2      ARG  20  -6.871   4.704  -8.290
  159    H    ASP  21           H        ASP  21   1.188   2.962  -7.995
  160    HA   ASP  21           HA       ASP  21  -0.471   0.749  -7.974
  161    HB2  ASP  21           2HB      ASP  21   2.384   1.036  -8.912
  162    HB3  ASP  21           1HB      ASP  21   1.442  -0.427  -9.170
  163    H    ALA  22           H        ALA  22   2.406   1.394  -6.081
  164    HA   ALA  22           HA       ALA  22   2.845  -1.268  -5.215
  165    HB1  ALA  22           1HB      ALA  22   4.605   0.418  -5.175
  166    HB2  ALA  22           2HB      ALA  22   4.357  -0.292  -3.579
  167    HB3  ALA  22           3HB      ALA  22   3.724   1.314  -3.938
  168    H    VAL  23           H        VAL  23   0.904   1.409  -3.915
  169    HA   VAL  23           HA       VAL  23   0.247   0.202  -1.469
  170    HB   VAL  23           HB       VAL  23  -0.397   2.598  -2.601
  171   HG11  VAL  23          1HG1      VAL  23  -2.917   0.980  -2.507
  172   HG12  VAL  23          2HG1      VAL  23  -2.167   1.700  -3.938
  173   HG13  VAL  23          3HG1      VAL  23  -2.837   2.739  -2.675
  174   HG21  VAL  23          3HG2      VAL  23  -2.106   2.616  -0.587
  175   HG22  VAL  23          1HG2      VAL  23  -0.345   2.641  -0.351
  176   HG23  VAL  23          2HG2      VAL  23  -1.251   1.122  -0.204
  177    H    VAL  24           H        VAL  24  -1.238   0.184  -4.586
  178    HA   VAL  24           HA       VAL  24  -3.318  -1.524  -3.838
  179    HB   VAL  24           HB       VAL  24  -2.157  -0.722  -6.480
  180   HG11  VAL  24          1HG1      VAL  24  -4.504  -2.573  -5.986
  181   HG12  VAL  24          2HG1      VAL  24  -3.001  -2.974  -6.820
  182   HG13  VAL  24          3HG1      VAL  24  -4.132  -1.827  -7.543
  183   HG21  VAL  24          3HG2      VAL  24  -3.394   0.965  -5.316
  184   HG22  VAL  24          1HG2      VAL  24  -4.734  -0.147  -5.023
  185   HG23  VAL  24          2HG2      VAL  24  -4.378   0.397  -6.667
  186    H    LYS  25           H        LYS  25  -0.197  -2.271  -5.360
  187    HA   LYS  25           HA       LYS  25  -0.713  -5.015  -5.703
  188    HB2  LYS  25           2HB      LYS  25   1.901  -3.575  -5.221
  189    HB3  LYS  25           1HB      LYS  25   1.764  -5.255  -5.722
  190    HG2  LYS  25           2HG      LYS  25   0.822  -4.647  -7.809
  191    HG3  LYS  25           1HG      LYS  25   0.630  -2.966  -7.304
  192    HD2  LYS  25           2HD      LYS  25   3.050  -2.728  -7.169
  193    HD3  LYS  25           1HD      LYS  25   3.253  -4.414  -7.654
  194    HE2  LYS  25           2HE      LYS  25   1.928  -2.266  -9.312
  195    HE3  LYS  25           1HE      LYS  25   3.581  -2.839  -9.526
  196    HZ1  LYS  25           3HZ      LYS  25   2.047  -3.880 -11.082
  197    HZ2  LYS  25           1HZ      LYS  25   1.131  -4.504  -9.802
  198    HZ3  LYS  25           2HZ      LYS  25   2.726  -5.031 -10.043
  199    H    ALA  26           H        ALA  26   0.423  -3.120  -2.966
  200    HA   ALA  26           HA       ALA  26   1.308  -5.493  -1.553
  201    HB1  ALA  26           1HB      ALA  26   1.999  -3.984   0.199
  202    HB2  ALA  26           2HB      ALA  26   1.152  -2.649  -0.584
  203    HB3  ALA  26           3HB      ALA  26   2.555  -3.381  -1.363
  204    H    LEU  27           H        LEU  27  -1.203  -3.060  -1.312
  205    HA   LEU  27           HA       LEU  27  -2.268  -4.123   1.091
  206    HB2  LEU  27           2HB      LEU  27  -3.332  -2.180  -0.938
  207    HB3  LEU  27           1HB      LEU  27  -4.184  -2.588   0.529
  208    HG   LEU  27           HG       LEU  27  -2.802  -0.409   0.389
  209   HD11  LEU  27          1HD1      LEU  27  -3.837  -1.310   2.415
  210   HD12  LEU  27          2HD1      LEU  27  -2.284  -0.539   2.746
  211   HD13  LEU  27          3HD1      LEU  27  -2.405  -2.298   2.676
  212   HD21  LEU  27          3HD2      LEU  27  -0.534  -0.594   1.068
  213   HD22  LEU  27          1HD2      LEU  27  -0.821  -1.410  -0.471
  214   HD23  LEU  27          2HD2      LEU  27  -0.664  -2.357   1.009
  215    H    LYS  28           H        LYS  28  -2.715  -4.626  -2.342
  216    HA   LYS  28           HA       LYS  28  -4.943  -6.271  -2.296
  217    HB2  LYS  28           2HB      LYS  28  -2.643  -5.921  -4.025
  218    HB3  LYS  28           1HB      LYS  28  -3.200  -7.588  -3.988
  219    HG2  LYS  28           2HG      LYS  28  -5.277  -7.049  -4.861
  220    HG3  LYS  28           1HG      LYS  28  -5.132  -5.339  -4.409
  221    HD2  LYS  28           2HD      LYS  28  -3.546  -4.937  -6.091
  222    HD3  LYS  28           1HD      LYS  28  -3.301  -6.658  -6.400
  223    HE2  LYS  28           2HE      LYS  28  -4.641  -5.600  -8.159
  224    HE3  LYS  28           1HE      LYS  28  -5.539  -6.848  -7.302
  225    HZ1  LYS  28           3HZ      LYS  28  -5.788  -3.923  -6.848
  226    HZ2  LYS  28           1HZ      LYS  28  -6.651  -5.125  -6.021
  227    HZ3  LYS  28           2HZ      LYS  28  -6.893  -4.897  -7.680
  228    H    GLN  29           H        GLN  29  -1.477  -7.192  -1.647
  229    HA   GLN  29           HA       GLN  29  -2.275  -9.889  -1.132
  230    HB2  GLN  29           2HB      GLN  29   0.224  -8.497  -0.256
  231    HB3  GLN  29           1HB      GLN  29  -0.019 -10.187  -0.550
  232    HG2  GLN  29           2HG      GLN  29   0.251  -9.996  -2.746
  233    HG3  GLN  29           1HG      GLN  29  -0.597  -8.447  -2.811
  234   HE21  GLN  29          1HE2      GLN  29   0.907  -7.171  -0.855
  235   HE22  GLN  29          2HE2      GLN  29   2.437  -6.832  -1.526
  236    H    THR  30           H        THR  30  -1.734  -7.048   0.892
  237    HA   THR  30           HA       THR  30  -2.037  -8.556   3.332
  238    HB   THR  30           HB       THR  30  -1.733  -6.382   4.416
  239    HG1  THR  30           1HG      THR  30  -1.462  -4.531   3.210
  240   HG21  THR  30          3HG2      THR  30   0.239  -6.925   2.210
  241   HG22  THR  30          1HG2      THR  30   0.223  -7.697   3.796
  242   HG23  THR  30          2HG2      THR  30   0.558  -5.971   3.660
  243    H    ASN  31           H        ASN  31  -4.153  -7.487   1.123
  244    HA   ASN  31           HA       ASN  31  -6.292  -6.808   1.018
  245    HB2  ASN  31           2HB      ASN  31  -6.332  -8.257   3.665
  246    HB3  ASN  31           1HB      ASN  31  -7.786  -7.558   2.959
  247   HD21  ASN  31          1HD2      ASN  31  -5.411 -10.073   2.731
  248   HD22  ASN  31          2HD2      ASN  31  -6.227 -11.014   1.529
  249    H    GLY  32           H        GLY  32  -4.677  -4.725   1.583
  250    HA2  GLY  32           2HA      GLY  32  -5.198  -2.551   1.915
  251    HA3  GLY  32           1HA      GLY  32  -6.697  -3.042   2.674
  252    H    ASN  33           H        ASN  33  -3.985  -4.451   4.406
  253    HA   ASN  33           HA       ASN  33  -4.268  -2.243   6.230
  254    HB2  ASN  33           2HB      ASN  33  -3.831  -3.593   8.001
  255    HB3  ASN  33           1HB      ASN  33  -4.730  -4.637   6.930
  256   HD21  ASN  33          1HD2      ASN  33  -3.493  -5.886   5.523
  257   HD22  ASN  33          2HD2      ASN  33  -2.078  -6.693   6.130
  258    H    ALA  34           H        ALA  34  -2.571  -0.981   6.895
  259    HA   ALA  34           HA       ALA  34  -0.799  -0.689   4.699
  260    HB1  ALA  34           1HB      ALA  34  -0.946   1.000   7.174
  261    HB2  ALA  34           2HB      ALA  34  -1.973   1.194   5.753
  262    HB3  ALA  34           3HB      ALA  34  -0.232   1.447   5.624
  263    H    GLU  35           H        GLU  35  -0.173  -1.671   8.053
  264    HA   GLU  35           HA       GLU  35   2.486  -1.097   7.925
  265    HB2  GLU  35           2HB      GLU  35   0.615  -2.209   9.738
  266    HB3  GLU  35           1HB      GLU  35   2.139  -3.033   9.816
  267    HG2  GLU  35           2HG      GLU  35   1.898  -0.098   9.910
  268    HG3  GLU  35           1HG      GLU  35   1.756  -1.088  11.334
  269    H    PHE  36           H        PHE  36   0.675  -3.895   7.593
  270    HA   PHE  36           HA       PHE  36   2.702  -5.714   6.918
  271    HB2  PHE  36           2HB      PHE  36  -0.268  -5.541   6.607
  272    HB3  PHE  36           1HB      PHE  36   0.572  -6.834   5.786
  273    HD1  PHE  36           1HD      PHE  36   0.982  -5.195   9.069
  274    HD2  PHE  36           2HD      PHE  36   0.266  -8.837   7.003
  275    HE1  PHE  36           1HE      PHE  36   0.996  -6.331  11.144
  276    HE2  PHE  36           2HE      PHE  36   0.273 -10.041   9.160
  277    HZ   PHE  36           HZ       PHE  36   0.637  -8.786  11.258
  278    H    ALA  37           H        ALA  37   0.974  -3.271   5.212
  279    HA   ALA  37           HA       ALA  37   1.368  -4.317   2.597
  280    HB1  ALA  37           1HB      ALA  37   0.806  -1.525   3.537
  281    HB2  ALA  37           2HB      ALA  37  -0.412  -2.756   3.201
  282    HB3  ALA  37           3HB      ALA  37   0.599  -2.133   1.896
  283    H    ALA  38           H        ALA  38   2.902  -1.869   4.526
  284    HA   ALA  38           HA       ALA  38   4.746  -0.922   2.717
  285    HB1  ALA  38           1HB      ALA  38   4.276   0.148   4.860
  286    HB2  ALA  38           2HB      ALA  38   6.002  -0.140   4.637
  287    HB3  ALA  38           3HB      ALA  38   5.061  -1.193   5.692
  288    H    SER  39           H        SER  39   4.923  -3.657   4.960
  289    HA   SER  39           HA       SER  39   7.738  -3.987   4.493
  290    HB2  SER  39           2HB      SER  39   5.745  -5.791   5.883
  291    HB3  SER  39           1HB      SER  39   7.500  -5.948   5.961
  292    HG   SER  39           HG       SER  39   7.457  -3.743   6.843
  293    H    LEU  40           H        LEU  40   4.751  -5.089   3.254
  294    HA   LEU  40           HA       LEU  40   5.873  -7.317   1.825
  295    HB2  LEU  40           2HB      LEU  40   3.543  -6.997   2.829
  296    HB3  LEU  40           1HB      LEU  40   3.219  -6.051   1.414
  297    HG   LEU  40           HG       LEU  40   3.433  -7.926  -0.035
  298   HD11  LEU  40          1HD1      LEU  40   4.234 -10.116   0.734
  299   HD12  LEU  40          2HD1      LEU  40   4.546  -9.438   2.331
  300   HD13  LEU  40          3HD1      LEU  40   5.467  -8.872   0.939
  301   HD21  LEU  40          3HD2      LEU  40   1.860  -9.552   0.887
  302   HD22  LEU  40          1HD2      LEU  40   1.344  -7.898   1.224
  303   HD23  LEU  40          2HD2      LEU  40   2.091  -8.867   2.495
  304    H    LEU  41           H        LEU  41   4.808  -3.985   1.131
  305    HA   LEU  41           HA       LEU  41   5.147  -4.337  -1.663
  306    HB2  LEU  41           2HB      LEU  41   4.280  -2.317  -1.856
  307    HB3  LEU  41           1HB      LEU  41   3.747  -2.667  -0.237
  308    HG   LEU  41           HG       LEU  41   6.145  -1.503   0.212
  309   HD11  LEU  41          1HD1      LEU  41   6.260   0.311  -1.329
  310   HD12  LEU  41          2HD1      LEU  41   4.745  -0.212  -2.090
  311   HD13  LEU  41          3HD1      LEU  41   6.195  -1.217  -2.211
  312   HD21  LEU  41          3HD2      LEU  41   3.972  -1.113   1.283
  313   HD22  LEU  41          1HD2      LEU  41   3.475  -0.181  -0.125
  314   HD23  LEU  41          2HD2      LEU  41   4.814   0.389   0.881
  315    H    PHE  42           H        PHE  42   7.070  -3.531   1.022
  316    HA   PHE  42           HA       PHE  42   9.274  -2.240   0.093
  317    HB2  PHE  42           2HB      PHE  42   8.598  -3.798   2.367
  318    HB3  PHE  42           1HB      PHE  42  10.215  -4.256   1.837
  319    HD1  PHE  42           1HD      PHE  42   8.019  -1.548   2.574
  320    HD2  PHE  42           2HD      PHE  42  12.046  -2.786   2.308
  321    HE1  PHE  42           1HE      PHE  42   8.710   0.569   3.490
  322    HE2  PHE  42           2HE      PHE  42  12.791  -0.636   3.279
  323    HZ   PHE  42           HZ       PHE  42  11.103   1.072   3.877
  324    H    GLN  43           H        GLN  43   8.182  -5.427  -0.675
  325    HA   GLN  43           HA       GLN  43  10.501  -6.765  -1.413
  326    HB2  GLN  43           2HB      GLN  43   7.749  -6.791  -2.597
  327    HB3  GLN  43           1HB      GLN  43   9.006  -7.874  -3.152
  328    HG2  GLN  43           2HG      GLN  43   9.126  -8.986  -1.079
  329    HG3  GLN  43           1HG      GLN  43   8.171  -7.747  -0.274
  330   HE21  GLN  43          1HE2      GLN  43   6.063  -7.523  -2.148
  331   HE22  GLN  43          2HE2      GLN  43   5.169  -8.985  -2.123
  332    H    SER  44           H        SER  44   8.879  -4.177  -2.931
  333    HA   SER  44           HA       SER  44  10.959  -4.071  -5.000
  334    HB2  SER  44           2HB      SER  44   7.998  -3.625  -5.473
  335    HB3  SER  44           1HB      SER  44   9.271  -3.377  -6.668
  336    HG   SER  44           HG       SER  44   9.791  -5.712  -6.090
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1 -17.614  -1.957  -1.434
    2    H2   GLY   1           2HT      GLY   1 -16.267  -2.802  -2.014
    3    H3   GLY   1           3HT      GLY   1 -17.164  -1.818  -3.061
    4    HA2  GLY   1           1HA      GLY   1 -15.128  -0.708  -2.467
    5    HA3  GLY   1           2HA      GLY   1 -16.517   0.146  -1.811
    6    H    SER   2           H        SER   2 -13.505  -0.953  -1.113
    7    HA   SER   2           HA       SER   2 -14.066  -0.968   1.771
    8    HB2  SER   2           2HB      SER   2 -12.186  -2.640   1.969
    9    HB3  SER   2           1HB      SER   2 -13.631  -3.257   1.168
   10    HG   SER   2           HG       SER   2 -12.352  -3.741  -0.420
   11    H    ALA   3           H        ALA   3 -12.330  -0.181   3.087
   12    HA   ALA   3           HA       ALA   3 -10.688   1.824   1.809
   13    HB1  ALA   3           1HB      ALA   3 -11.718   2.275   3.978
   14    HB2  ALA   3           2HB      ALA   3  -9.959   2.367   4.080
   15    HB3  ALA   3           3HB      ALA   3 -10.804   0.946   4.694
   16    H    THR   4           H        THR   4  -9.809  -0.185   0.545
   17    HA   THR   4           HA       THR   4  -7.761  -1.635   1.901
   18    HB   THR   4           HB       THR   4  -7.415  -2.363  -0.636
   19    HG1  THR   4           1HG      THR   4 -10.176  -2.190  -0.700
   20   HG21  THR   4          3HG2      THR   4  -8.905  -4.249  -0.188
   21   HG22  THR   4          1HG2      THR   4  -9.620  -3.376   1.166
   22   HG23  THR   4          2HG2      THR   4  -7.930  -3.873   1.233
   23    H    PHE   5           H        PHE   5  -7.845   0.311  -0.792
   24    HA   PHE   5           HA       PHE   5  -5.017   1.015  -0.654
   25    HB2  PHE   5           2HB      PHE   5  -6.917   1.219  -2.853
   26    HB3  PHE   5           1HB      PHE   5  -5.168   1.087  -3.014
   27    HD1  PHE   5           1HD      PHE   5  -4.594  -1.109  -1.368
   28    HD2  PHE   5           2HD      PHE   5  -7.889  -0.618  -3.952
   29    HE1  PHE   5           1HE      PHE   5  -4.798  -3.374  -1.481
   30    HE2  PHE   5           2HE      PHE   5  -8.108  -3.089  -4.056
   31    HZ   PHE   5           HZ       PHE   5  -6.491  -4.456  -2.735
   32    HA   PRO   6           HA       PRO   6  -7.695   5.086  -0.734
   33    HB2  PRO   6           2HB      PRO   6  -7.984   5.686   1.844
   34    HB3  PRO   6           1HB      PRO   6  -9.082   4.619   0.991
   35    HG2  PRO   6           2HG      PRO   6  -6.839   3.900   2.707
   36    HG3  PRO   6           1HG      PRO   6  -8.498   3.311   2.687
   37    HD2  PRO   6           2HD      PRO   6  -6.525   1.967   1.459
   38    HD3  PRO   6           1HD      PRO   6  -8.151   1.966   0.825
   39    H    GLU   7           H        GLU   7  -6.977   7.229  -0.068
   40    HA   GLU   7           HA       GLU   7  -4.242   7.398  -0.626
   41    HB2  GLU   7           2HB      GLU   7  -6.335   9.422   0.062
   42    HB3  GLU   7           1HB      GLU   7  -4.659   9.884  -0.187
   43    HG2  GLU   7           2HG      GLU   7  -4.715   8.894  -2.420
   44    HG3  GLU   7           1HG      GLU   7  -6.398   8.444  -2.169
   45    H    GLN   8           H        GLN   8  -5.951   7.458   2.439
   46    HA   GLN   8           HA       GLN   8  -4.008   8.528   4.104
   47    HB2  GLN   8           2HB      GLN   8  -5.169   5.970   5.029
   48    HB3  GLN   8           1HB      GLN   8  -5.123   7.531   5.830
   49    HG2  GLN   8           2HG      GLN   8  -6.894   8.245   4.210
   50    HG3  GLN   8           1HG      GLN   8  -7.041   6.563   3.749
   51   HE21  GLN   8          1HE2      GLN   8  -7.523   8.879   6.313
   52   HE22  GLN   8          2HE2      GLN   8  -8.527   7.872   7.299
   53    H    THR   9           H        THR   9  -4.387   5.160   3.164
   54    HA   THR   9           HA       THR   9  -1.931   4.344   4.193
   55    HB   THR   9           HB       THR   9  -2.483   2.200   3.134
   56    HG1  THR   9           1HG      THR   9  -4.353   1.983   1.966
   57   HG21  THR   9          3HG2      THR   9  -4.443   1.714   4.502
   58   HG22  THR   9          1HG2      THR   9  -4.739   3.442   4.678
   59   HG23  THR   9          2HG2      THR   9  -3.292   2.720   5.381
   60    H    ILE  10           H        ILE  10  -3.122   5.264   1.149
   61    HA   ILE  10           HA       ILE  10  -1.112   4.475  -0.560
   62    HB   ILE  10           HB       ILE  10  -2.989   6.792  -0.601
   63   HG12  ILE  10          2HG1      ILE  10  -2.649   4.386  -2.389
   64   HG13  ILE  10          1HG1      ILE  10  -3.798   4.505  -1.063
   65   HG21  ILE  10          1HG2      ILE  10  -0.947   7.568  -1.652
   66   HG22  ILE  10          2HG2      ILE  10  -2.217   7.325  -2.850
   67   HG23  ILE  10          3HG2      ILE  10  -0.921   6.141  -2.684
   68   HD11  ILE  10          3HD1      ILE  10  -4.866   4.909  -3.183
   69   HD12  ILE  10          1HD1      ILE  10  -3.745   6.230  -3.507
   70   HD13  ILE  10          2HD1      ILE  10  -4.888   6.351  -2.169
   71    H    LYS  11           H        LYS  11  -1.514   7.546   1.102
   72    HA   LYS  11           HA       LYS  11   0.992   8.456   0.280
   73    HB2  LYS  11           2HB      LYS  11  -0.717   9.401   2.558
   74    HB3  LYS  11           1HB      LYS  11   0.639  10.286   1.878
   75    HG2  LYS  11           2HG      LYS  11  -0.504  10.692  -0.126
   76    HG3  LYS  11           1HG      LYS  11  -1.718   9.447   0.227
   77    HD2  LYS  11           2HD      LYS  11  -2.541  10.809   2.095
   78    HD3  LYS  11           1HD      LYS  11  -1.329  12.037   1.741
   79    HE2  LYS  11           2HE      LYS  11  -3.460  11.154  -0.196
   80    HE3  LYS  11           1HE      LYS  11  -3.622  12.544   0.874
   81    HZ1  LYS  11           3HZ      LYS  11  -1.672  13.528  -0.194
   82    HZ2  LYS  11           1HZ      LYS  11  -2.910  13.225  -1.312
   83    HZ3  LYS  11           2HZ      LYS  11  -1.562  12.196  -1.246
   84    H    GLN  12           H        GLN  12  -0.020   6.508   2.987
   85    HA   GLN  12           HA       GLN  12   2.270   6.796   4.521
   86    HB2  GLN  12           2HB      GLN  12   0.024   4.916   4.182
   87    HB3  GLN  12           1HB      GLN  12   1.442   4.289   4.967
   88    HG2  GLN  12           2HG      GLN  12  -0.268   6.584   5.813
   89    HG3  GLN  12           1HG      GLN  12   0.007   5.063   6.661
   90   HE21  GLN  12          1HE2      GLN  12   1.321   8.164   5.841
   91   HE22  GLN  12          2HE2      GLN  12   2.639   8.137   6.953
   92    H    LEU  13           H        LEU  13   1.524   4.665   1.796
   93    HA   LEU  13           HA       LEU  13   3.961   3.218   2.136
   94    HB2  LEU  13           2HB      LEU  13   1.841   3.010   0.026
   95    HB3  LEU  13           1HB      LEU  13   3.144   1.884   0.302
   96    HG   LEU  13           HG       LEU  13   0.906   2.504   2.158
   97   HD11  LEU  13          1HD1      LEU  13   1.622  -0.045   0.716
   98   HD12  LEU  13          2HD1      LEU  13   0.292   1.034   0.298
   99   HD13  LEU  13          3HD1      LEU  13   0.272   0.165   1.832
  100   HD21  LEU  13          3HD2      LEU  13   1.849   0.753   3.610
  101   HD22  LEU  13          1HD2      LEU  13   2.896   2.164   3.451
  102   HD23  LEU  13          2HD2      LEU  13   3.265   0.688   2.559
  103    H    MET  14           H        MET  14   2.443   5.406  -0.239
  104    HA   MET  14           HA       MET  14   4.647   5.699  -1.901
  105    HB2  MET  14           2HB      MET  14   2.333   7.385  -1.075
  106    HB3  MET  14           1HB      MET  14   3.510   7.960  -2.245
  107    HG2  MET  14           2HG      MET  14   1.571   7.006  -3.264
  108    HG3  MET  14           1HG      MET  14   3.003   6.129  -3.686
  109    HE1  MET  14           3HE      MET  14   3.171   3.533  -3.454
  110    HE2  MET  14           1HE      MET  14   2.368   2.642  -2.162
  111    HE3  MET  14           2HE      MET  14   3.537   3.906  -1.770
  112    H    ASP  15           H        ASP  15   3.951   6.860   1.243
  113    HA   ASP  15           HA       ASP  15   5.813   8.931   1.538
  114    HB2  ASP  15           2HB      ASP  15   4.107   8.589   3.172
  115    HB3  ASP  15           1HB      ASP  15   4.670   6.958   3.526
  116    H    LEU  16           H        LEU  16   6.213   5.353   1.874
  117    HA   LEU  16           HA       LEU  16   8.841   5.347   2.705
  118    HB2  LEU  16           2HB      LEU  16   7.090   3.656   1.038
  119    HB3  LEU  16           1HB      LEU  16   8.743   3.250   1.267
  120    HG   LEU  16           HG       LEU  16   7.702   2.056   2.819
  121   HD11  LEU  16          1HD1      LEU  16   8.287   2.968   5.007
  122   HD12  LEU  16          2HD1      LEU  16   8.457   4.559   4.262
  123   HD13  LEU  16          3HD1      LEU  16   9.558   3.255   3.817
  124   HD21  LEU  16          3HD2      LEU  16   5.531   3.024   2.545
  125   HD22  LEU  16          1HD2      LEU  16   6.027   4.388   3.539
  126   HD23  LEU  16          2HD2      LEU  16   5.917   2.777   4.250
  127    H    GLY  17           H        GLY  17   7.428   6.166  -0.341
  128    HA2  GLY  17           2HA      GLY  17   8.845   7.552  -1.841
  129    HA3  GLY  17           1HA      GLY  17  10.105   6.348  -1.591
  130    H    PHE  18           H        PHE  18   7.045   5.003  -1.715
  131    HA   PHE  18           HA       PHE  18   7.594   3.764  -4.262
  132    HB2  PHE  18           2HB      PHE  18   5.513   3.335  -2.161
  133    HB3  PHE  18           1HB      PHE  18   5.676   2.331  -3.564
  134    HD1  PHE  18           2HD      PHE  18   8.373   1.658  -3.921
  135    HD2  PHE  18           1HD      PHE  18   6.210   2.491  -0.452
  136    HE1  PHE  18           2HE      PHE  18   9.958   0.293  -2.596
  137    HE2  PHE  18           1HE      PHE  18   7.676   1.198   0.850
  138    HZ   PHE  18           HZ       PHE  18   9.556   0.091  -0.167
  139    HA   PRO  19           HA       PRO  19   4.290   5.706  -6.623
  140    HB2  PRO  19           2HB      PRO  19   3.759   3.841  -8.366
  141    HB3  PRO  19           1HB      PRO  19   5.428   4.410  -8.245
  142    HG2  PRO  19           2HG      PRO  19   4.218   2.045  -6.889
  143    HG3  PRO  19           1HG      PRO  19   5.578   2.122  -8.008
  144    HD2  PRO  19           2HD      PRO  19   5.990   2.209  -5.323
  145    HD3  PRO  19           1HD      PRO  19   6.989   3.158  -6.458
  146    H    ARG  20           H        ARG  20   2.063   5.356  -7.277
  147    HA   ARG  20           HA       ARG  20   0.387   4.670  -5.120
  148    HB2  ARG  20           2HB      ARG  20  -0.278   6.316  -6.744
  149    HB3  ARG  20           1HB      ARG  20  -0.150   5.159  -8.048
  150    HG2  ARG  20           2HG      ARG  20  -2.017   3.952  -7.276
  151    HG3  ARG  20           1HG      ARG  20  -2.093   4.910  -5.808
  152    HD2  ARG  20           2HD      ARG  20  -2.441   6.924  -7.276
  153    HD3  ARG  20           1HD      ARG  20  -2.634   5.807  -8.624
  154    HE   ARG  20           HE       ARG  20  -4.387   5.032  -6.574
  155   HH11  ARG  20          1HH1      ARG  20  -3.944   7.651  -8.853
  156   HH12  ARG  20          2HH1      ARG  20  -5.637   8.040  -8.934
  157   HH21  ARG  20          1HH2      ARG  20  -6.604   5.547  -6.659
  158   HH22  ARG  20          2HH2      ARG  20  -7.151   6.854  -7.666
  159    H    ASP  21           H        ASP  21   1.147   3.046  -8.130
  160    HA   ASP  21           HA       ASP  21  -0.561   0.854  -7.963
  161    HB2  ASP  21           2HB      ASP  21   2.199   1.124  -9.141
  162    HB3  ASP  21           1HB      ASP  21   1.332  -0.407  -9.191
  163    H    ALA  22           H        ALA  22   2.342   1.555  -6.204
  164    HA   ALA  22           HA       ALA  22   2.835  -1.082  -5.271
  165    HB1  ALA  22           1HB      ALA  22   4.414  -0.068  -3.756
  166    HB2  ALA  22           2HB      ALA  22   3.739   1.527  -4.083
  167    HB3  ALA  22           3HB      ALA  22   4.570   0.643  -5.363
  168    H    VAL  23           H        VAL  23   0.853   1.600  -4.048
  169    HA   VAL  23           HA       VAL  23   0.318   0.509  -1.511
  170    HB   VAL  23           HB       VAL  23  -0.424   2.840  -2.682
  171   HG11  VAL  23          1HG1      VAL  23  -2.855   2.933  -2.827
  172   HG12  VAL  23          2HG1      VAL  23  -2.932   1.186  -2.566
  173   HG13  VAL  23          3HG1      VAL  23  -2.166   1.833  -4.024
  174   HG21  VAL  23          3HG2      VAL  23  -1.933   1.583  -0.423
  175   HG22  VAL  23          1HG2      VAL  23  -1.646   3.302  -0.703
  176   HG23  VAL  23          2HG2      VAL  23  -0.293   2.247  -0.285
  177    H    VAL  24           H        VAL  24  -1.211   0.309  -4.588
  178    HA   VAL  24           HA       VAL  24  -3.280  -1.381  -3.768
  179    HB   VAL  24           HB       VAL  24  -2.088  -0.802  -6.457
  180   HG11  VAL  24          1HG1      VAL  24  -4.464  -2.557  -5.776
  181   HG12  VAL  24          2HG1      VAL  24  -2.974  -3.062  -6.579
  182   HG13  VAL  24          3HG1      VAL  24  -4.091  -1.970  -7.401
  183   HG21  VAL  24          3HG2      VAL  24  -4.287   0.337  -6.748
  184   HG22  VAL  24          1HG2      VAL  24  -3.302   1.007  -5.444
  185   HG23  VAL  24          2HG2      VAL  24  -4.658  -0.054  -5.066
  186    H    LYS  25           H        LYS  25  -0.212  -2.243  -5.415
  187    HA   LYS  25           HA       LYS  25  -0.737  -4.984  -5.504
  188    HB2  LYS  25           2HB      LYS  25   1.948  -3.642  -5.266
  189    HB3  LYS  25           1HB      LYS  25   1.671  -5.275  -5.810
  190    HG2  LYS  25           2HG      LYS  25   0.878  -2.737  -7.178
  191    HG3  LYS  25           1HG      LYS  25   2.054  -3.931  -7.725
  192    HD2  LYS  25           2HD      LYS  25   0.047  -5.497  -7.471
  193    HD3  LYS  25           1HD      LYS  25  -0.907  -4.045  -7.638
  194    HE2  LYS  25           2HE      LYS  25   1.177  -4.982  -9.610
  195    HE3  LYS  25           1HE      LYS  25  -0.564  -5.184  -9.803
  196    HZ1  LYS  25           3HZ      LYS  25  -0.761  -2.733  -9.670
  197    HZ2  LYS  25           1HZ      LYS  25   0.112  -3.270 -11.020
  198    HZ3  LYS  25           2HZ      LYS  25   0.931  -2.627  -9.689
  199    H    ALA  26           H        ALA  26   0.658  -2.936  -3.028
  200    HA   ALA  26           HA       ALA  26   1.540  -5.144  -1.405
  201    HB1  ALA  26           1HB      ALA  26   2.179  -3.507   0.223
  202    HB2  ALA  26           2HB      ALA  26   1.213  -2.272  -0.587
  203    HB3  ALA  26           3HB      ALA  26   2.644  -2.931  -1.380
  204    H    LEU  27           H        LEU  27  -1.185  -2.900  -1.338
  205    HA   LEU  27           HA       LEU  27  -2.200  -3.961   1.102
  206    HB2  LEU  27           2HB      LEU  27  -3.444  -2.266  -0.957
  207    HB3  LEU  27           1HB      LEU  27  -4.155  -2.649   0.596
  208    HG   LEU  27           HG       LEU  27  -1.492  -1.336   0.288
  209   HD11  LEU  27          1HD1      LEU  27  -4.226  -0.256   0.490
  210   HD12  LEU  27          2HD1      LEU  27  -3.090  -0.091  -0.848
  211   HD13  LEU  27          3HD1      LEU  27  -2.760   0.706   0.696
  212   HD21  LEU  27          3HD2      LEU  27  -3.493  -1.426   2.534
  213   HD22  LEU  27          1HD2      LEU  27  -1.921  -0.631   2.573
  214   HD23  LEU  27          2HD2      LEU  27  -2.019  -2.389   2.457
  215    H    LYS  28           H        LYS  28  -2.906  -4.401  -2.320
  216    HA   LYS  28           HA       LYS  28  -4.826  -6.410  -2.121
  217    HB2  LYS  28           2HB      LYS  28  -2.576  -6.076  -4.046
  218    HB3  LYS  28           1HB      LYS  28  -3.609  -7.458  -4.174
  219    HG2  LYS  28           2HG      LYS  28  -4.438  -4.576  -4.395
  220    HG3  LYS  28           1HG      LYS  28  -4.196  -5.698  -5.743
  221    HD2  LYS  28           2HD      LYS  28  -5.981  -6.280  -3.485
  222    HD3  LYS  28           1HD      LYS  28  -6.576  -5.378  -4.876
  223    HE2  LYS  28           2HE      LYS  28  -5.905  -7.280  -6.310
  224    HE3  LYS  28           1HE      LYS  28  -5.400  -8.163  -4.870
  225    HZ1  LYS  28           3HZ      LYS  28  -7.804  -7.757  -4.099
  226    HZ2  LYS  28           1HZ      LYS  28  -7.523  -8.952  -5.268
  227    HZ3  LYS  28           2HZ      LYS  28  -8.126  -7.444  -5.734
  228    H    GLN  29           H        GLN  29  -1.303  -6.653  -1.740
  229    HA   GLN  29           HA       GLN  29  -1.114  -9.414  -1.365
  230    HB2  GLN  29           2HB      GLN  29   0.492  -7.052  -1.156
  231    HB3  GLN  29           1HB      GLN  29   0.809  -8.085   0.222
  232    HG2  GLN  29           2HG      GLN  29   2.094  -9.298  -0.997
  233    HG3  GLN  29           1HG      GLN  29   0.774  -9.698  -2.081
  234   HE21  GLN  29          1HE2      GLN  29   2.354  -6.581  -1.546
  235   HE22  GLN  29          2HE2      GLN  29   2.952  -6.406  -3.157
  236    H    THR  30           H        THR  30  -2.093  -6.829   0.754
  237    HA   THR  30           HA       THR  30  -1.875  -8.574   3.102
  238    HB   THR  30           HB       THR  30  -1.712  -6.381   4.298
  239    HG1  THR  30           1HG      THR  30  -1.014  -5.197   1.864
  240   HG21  THR  30          3HG2      THR  30   0.636  -6.025   3.680
  241   HG22  THR  30          1HG2      THR  30   0.377  -6.942   2.192
  242   HG23  THR  30          2HG2      THR  30   0.264  -7.749   3.760
  243    H    ASN  31           H        ASN  31  -4.132  -7.542   1.079
  244    HA   ASN  31           HA       ASN  31  -6.281  -6.889   1.061
  245    HB2  ASN  31           2HB      ASN  31  -6.194  -8.439   3.641
  246    HB3  ASN  31           1HB      ASN  31  -7.687  -7.724   3.040
  247   HD21  ASN  31          1HD2      ASN  31  -5.335 -10.214   2.633
  248   HD22  ASN  31          2HD2      ASN  31  -6.183 -11.102   1.417
  249    H    GLY  32           H        GLY  32  -4.800  -4.713   1.590
  250    HA2  GLY  32           2HA      GLY  32  -5.640  -2.602   1.973
  251    HA3  GLY  32           1HA      GLY  32  -6.840  -3.274   3.055
  252    H    ASN  33           H        ASN  33  -4.219  -4.578   4.576
  253    HA   ASN  33           HA       ASN  33  -4.163  -2.243   6.238
  254    HB2  ASN  33           2HB      ASN  33  -3.451  -3.614   7.992
  255    HB3  ASN  33           1HB      ASN  33  -4.708  -4.464   7.154
  256   HD21  ASN  33          1HD2      ASN  33  -2.551  -5.110   5.080
  257   HD22  ASN  33          2HD2      ASN  33  -1.780  -6.493   5.778
  258    H    ALA  34           H        ALA  34  -2.625  -0.834   6.401
  259    HA   ALA  34           HA       ALA  34  -0.855  -0.828   4.194
  260    HB1  ALA  34           1HB      ALA  34  -2.087   1.148   4.969
  261    HB2  ALA  34           2HB      ALA  34  -0.357   1.439   4.787
  262    HB3  ALA  34           3HB      ALA  34  -1.047   1.203   6.393
  263    H    GLU  35           H        GLU  35  -0.170  -1.199   7.662
  264    HA   GLU  35           HA       GLU  35   2.477  -0.641   7.392
  265    HB2  GLU  35           2HB      GLU  35   0.684  -1.606   9.432
  266    HB3  GLU  35           1HB      GLU  35   2.346  -2.070   9.630
  267    HG2  GLU  35           2HG      GLU  35   1.549   0.712   9.100
  268    HG3  GLU  35           1HG      GLU  35   1.513   0.042  10.704
  269    H    PHE  36           H        PHE  36   0.658  -3.455   7.506
  270    HA   PHE  36           HA       PHE  36   2.666  -5.357   7.078
  271    HB2  PHE  36           2HB      PHE  36  -0.292  -5.172   6.792
  272    HB3  PHE  36           1HB      PHE  36   0.496  -6.566   6.079
  273    HD1  PHE  36           1HD      PHE  36   0.815  -4.556   9.159
  274    HD2  PHE  36           2HD      PHE  36   0.465  -8.446   7.503
  275    HE1  PHE  36           1HE      PHE  36   0.929  -5.454  11.343
  276    HE2  PHE  36           2HE      PHE  36   0.574  -9.404   9.777
  277    HZ   PHE  36           HZ       PHE  36   0.810  -7.904  11.726
  278    H    ALA  37           H        ALA  37   0.973  -3.157   5.033
  279    HA   ALA  37           HA       ALA  37   1.461  -4.558   2.577
  280    HB1  ALA  37           1HB      ALA  37  -0.412  -3.006   2.815
  281    HB2  ALA  37           2HB      ALA  37   0.657  -2.537   1.493
  282    HB3  ALA  37           3HB      ALA  37   0.725  -1.675   3.030
  283    H    ALA  38           H        ALA  38   2.838  -1.778   4.163
  284    HA   ALA  38           HA       ALA  38   4.783  -1.075   2.352
  285    HB1  ALA  38           1HB      ALA  38   5.930  -0.008   4.200
  286    HB2  ALA  38           2HB      ALA  38   4.934  -0.903   5.349
  287    HB3  ALA  38           3HB      ALA  38   4.194   0.291   4.283
  288    H    SER  39           H        SER  39   4.808  -3.484   4.908
  289    HA   SER  39           HA       SER  39   7.637  -3.848   4.843
  290    HB2  SER  39           2HB      SER  39   5.451  -5.598   6.011
  291    HB3  SER  39           1HB      SER  39   7.175  -5.721   6.372
  292    HG   SER  39           HG       SER  39   5.365  -3.640   7.042
  293    H    LEU  40           H        LEU  40   4.845  -5.016   3.275
  294    HA   LEU  40           HA       LEU  40   6.109  -7.321   2.115
  295    HB2  LEU  40           2HB      LEU  40   3.657  -6.857   2.835
  296    HB3  LEU  40           1HB      LEU  40   3.537  -6.075   1.293
  297    HG   LEU  40           HG       LEU  40   2.664  -8.275   1.012
  298   HD11  LEU  40          1HD1      LEU  40   4.196  -9.381  -0.540
  299   HD12  LEU  40          2HD1      LEU  40   5.498  -8.317  -0.005
  300   HD13  LEU  40          3HD1      LEU  40   4.095  -7.646  -0.839
  301   HD21  LEU  40          3HD2      LEU  40   3.876 -10.290   1.688
  302   HD22  LEU  40          1HD2      LEU  40   3.530  -9.237   3.061
  303   HD23  LEU  40          2HD2      LEU  40   5.153  -9.286   2.372
  304    H    LEU  41           H        LEU  41   5.015  -4.051   1.009
  305    HA   LEU  41           HA       LEU  41   5.663  -4.694  -1.661
  306    HB2  LEU  41           2HB      LEU  41   4.751  -2.774  -2.219
  307    HB3  LEU  41           1HB      LEU  41   3.986  -3.061  -0.670
  308    HG   LEU  41           HG       LEU  41   6.364  -1.661  -0.205
  309   HD11  LEU  41          1HD1      LEU  41   6.081   0.183  -1.641
  310   HD12  LEU  41          2HD1      LEU  41   4.511  -0.419  -2.194
  311   HD13  LEU  41          3HD1      LEU  41   5.997  -1.270  -2.637
  312   HD21  LEU  41          3HD2      LEU  41   3.553  -0.672  -0.215
  313   HD22  LEU  41          1HD2      LEU  41   4.881  -0.195   0.849
  314   HD23  LEU  41          2HD2      LEU  41   4.169  -1.814   0.977
  315    H    PHE  42           H        PHE  42   7.261  -3.538   1.051
  316    HA   PHE  42           HA       PHE  42   9.506  -2.259   0.228
  317    HB2  PHE  42           2HB      PHE  42   8.687  -3.738   2.521
  318    HB3  PHE  42           1HB      PHE  42  10.363  -4.132   2.146
  319    HD1  PHE  42           1HD      PHE  42   7.987  -1.499   2.534
  320    HD2  PHE  42           2HD      PHE  42  12.066  -2.566   2.737
  321    HE1  PHE  42           1HE      PHE  42   8.500   0.690   3.402
  322    HE2  PHE  42           2HE      PHE  42  12.627  -0.341   3.654
  323    HZ   PHE  42           HZ       PHE  42  10.821   1.317   3.995
  324    H    GLN  43           H        GLN  43   8.489  -5.492  -0.528
  325    HA   GLN  43           HA       GLN  43  11.019  -6.689  -0.945
  326    HB2  GLN  43           2HB      GLN  43   9.869  -8.488  -1.683
  327    HB3  GLN  43           1HB      GLN  43   8.561  -7.644  -0.892
  328    HG2  GLN  43           2HG      GLN  43   9.123  -7.637  -3.828
  329    HG3  GLN  43           1HG      GLN  43   7.914  -8.591  -3.006
  330   HE21  GLN  43          1HE2      GLN  43   6.116  -7.533  -2.102
  331   HE22  GLN  43          2HE2      GLN  43   5.561  -6.025  -2.738
  332    H    SER  44           H        SER  44   9.655  -4.134  -2.524
  333    HA   SER  44           HA       SER  44  10.819  -4.579  -5.127
  334    HB2  SER  44           2HB      SER  44   9.708  -2.047  -3.883
  335    HB3  SER  44           1HB      SER  44  10.127  -2.257  -5.583
  336    HG   SER  44           HG       SER  44   8.344  -4.079  -4.414
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1 -14.940  -1.042  -1.680
    2    H2   GLY   1           2HT      GLY   1 -13.865  -0.714  -2.951
    3    H3   GLY   1           3HT      GLY   1 -14.450   0.552  -1.988
    4    HA2  GLY   1           1HA      GLY   1 -12.741  -1.664  -1.012
    5    HA3  GLY   1           2HA      GLY   1 -12.156  -0.058  -1.432
    6    H    SER   2           H        SER   2 -13.048  -1.964   1.080
    7    HA   SER   2           HA       SER   2 -14.522  -0.155   2.695
    8    HB2  SER   2           2HB      SER   2 -14.422  -2.604   3.106
    9    HB3  SER   2           1HB      SER   2 -12.726  -2.443   3.557
   10    HG   SER   2           HG       SER   2 -13.316  -1.796   5.456
   11    H    ALA   3           H        ALA   3 -11.110  -1.138   2.800
   12    HA   ALA   3           HA       ALA   3 -10.142   1.512   3.087
   13    HB1  ALA   3           1HB      ALA   3  -9.244   1.344   5.361
   14    HB2  ALA   3           2HB      ALA   3 -10.044  -0.214   5.565
   15    HB3  ALA   3           3HB      ALA   3 -11.005   1.252   5.369
   16    H    THR   4           H        THR   4  -9.490  -0.239   1.242
   17    HA   THR   4           HA       THR   4  -7.245  -1.834   2.068
   18    HB   THR   4           HB       THR   4  -7.290  -2.481  -0.426
   19    HG1  THR   4           1HG      THR   4  -9.451  -2.174  -1.274
   20   HG21  THR   4          3HG2      THR   4  -7.958  -4.001   1.367
   21   HG22  THR   4          1HG2      THR   4  -9.053  -4.137  -0.009
   22   HG23  THR   4          2HG2      THR   4  -9.550  -3.244   1.430
   23    H    PHE   5           H        PHE   5  -7.857   0.299  -0.388
   24    HA   PHE   5           HA       PHE   5  -5.080   1.183  -0.606
   25    HB2  PHE   5           2HB      PHE   5  -7.260   1.304  -2.527
   26    HB3  PHE   5           1HB      PHE   5  -5.547   1.365  -2.922
   27    HD1  PHE   5           1HD      PHE   5  -4.648  -0.839  -1.336
   28    HD2  PHE   5           2HD      PHE   5  -8.072  -0.559  -3.787
   29    HE1  PHE   5           1HE      PHE   5  -4.635  -3.108  -1.574
   30    HE2  PHE   5           2HE      PHE   5  -8.048  -3.032  -4.015
   31    HZ   PHE   5           HZ       PHE   5  -6.254  -4.292  -2.820
   32    HA   PRO   6           HA       PRO   6  -8.049   4.996  -0.104
   33    HB2  PRO   6           2HB      PRO   6  -7.764   5.541   2.509
   34    HB3  PRO   6           1HB      PRO   6  -9.005   4.483   1.862
   35    HG2  PRO   6           2HG      PRO   6  -6.457   3.756   3.066
   36    HG3  PRO   6           1HG      PRO   6  -8.070   3.096   3.319
   37    HD2  PRO   6           2HD      PRO   6  -6.305   1.903   1.684
   38    HD3  PRO   6           1HD      PRO   6  -8.016   1.852   1.348
   39    H    GLU   7           H        GLU   7  -7.333   7.060  -0.092
   40    HA   GLU   7           HA       GLU   7  -4.727   7.483  -0.904
   41    HB2  GLU   7           2HB      GLU   7  -6.728   9.485   0.146
   42    HB3  GLU   7           1HB      GLU   7  -5.316   9.858  -0.828
   43    HG2  GLU   7           2HG      GLU   7  -6.225   9.006  -2.746
   44    HG3  GLU   7           1HG      GLU   7  -7.297   7.911  -1.874
   45    H    GLN   8           H        GLN   8  -6.147   7.872   2.300
   46    HA   GLN   8           HA       GLN   8  -4.152   9.285   3.597
   47    HB2  GLN   8           2HB      GLN   8  -5.224   6.949   5.061
   48    HB3  GLN   8           1HB      GLN   8  -5.161   8.640   5.541
   49    HG2  GLN   8           2HG      GLN   8  -6.983   8.919   3.720
   50    HG3  GLN   8           1HG      GLN   8  -7.203   7.190   3.939
   51   HE21  GLN   8          1HE2      GLN   8  -7.489  10.321   5.407
   52   HE22  GLN   8          2HE2      GLN   8  -8.468   9.819   6.746
   53    H    THR   9           H        THR   9  -4.441   5.769   3.371
   54    HA   THR   9           HA       THR   9  -1.933   5.254   4.452
   55    HB   THR   9           HB       THR   9  -2.411   2.930   3.733
   56    HG1  THR   9           1HG      THR   9  -3.999   2.570   2.390
   57   HG21  THR   9          3HG2      THR   9  -3.069   3.709   5.942
   58   HG22  THR   9          1HG2      THR   9  -4.273   2.593   5.297
   59   HG23  THR   9          2HG2      THR   9  -4.576   4.330   5.270
   60    H    ILE  10           H        ILE  10  -3.256   5.508   1.324
   61    HA   ILE  10           HA       ILE  10  -1.257   4.507  -0.272
   62    HB   ILE  10           HB       ILE  10  -3.179   6.756  -0.657
   63   HG12  ILE  10          2HG1      ILE  10  -2.873   4.065  -1.983
   64   HG13  ILE  10          1HG1      ILE  10  -3.998   4.439  -0.678
   65   HG21  ILE  10          1HG2      ILE  10  -1.180   7.336  -1.908
   66   HG22  ILE  10          2HG2      ILE  10  -2.501   6.892  -2.986
   67   HG23  ILE  10          3HG2      ILE  10  -1.194   5.751  -2.676
   68   HD11  ILE  10          3HD1      ILE  10  -3.976   5.710  -3.385
   69   HD12  ILE  10          1HD1      ILE  10  -5.106   6.047  -2.076
   70   HD13  ILE  10          2HD1      ILE  10  -5.088   4.455  -2.835
   71    H    LYS  11           H        LYS  11  -1.701   7.822   0.838
   72    HA   LYS  11           HA       LYS  11   0.723   8.644  -0.287
   73    HB2  LYS  11           2HB      LYS  11  -0.979   9.950   1.806
   74    HB3  LYS  11           1HB      LYS  11   0.343  10.742   0.959
   75    HG2  LYS  11           2HG      LYS  11  -0.795  10.622  -1.109
   76    HG3  LYS  11           1HG      LYS  11  -2.001   9.501  -0.452
   77    HD2  LYS  11           2HD      LYS  11  -2.866  11.812  -0.695
   78    HD3  LYS  11           1HD      LYS  11  -2.876  11.258   0.980
   79    HE2  LYS  11           2HE      LYS  11  -0.808  12.484   1.402
   80    HE3  LYS  11           1HE      LYS  11  -0.777  13.023  -0.276
   81    HZ1  LYS  11           3HZ      LYS  11  -1.675  14.682   1.297
   82    HZ2  LYS  11           1HZ      LYS  11  -2.977  13.640   1.624
   83    HZ3  LYS  11           2HZ      LYS  11  -2.761  14.273   0.062
   84    H    GLN  12           H        GLN  12  -0.070   7.314   2.845
   85    HA   GLN  12           HA       GLN  12   2.323   7.944   4.113
   86    HB2  GLN  12           2HB      GLN  12   0.074   6.002   4.356
   87    HB3  GLN  12           1HB      GLN  12   1.485   5.807   5.340
   88    HG2  GLN  12           2HG      GLN  12   1.232   8.038   6.218
   89    HG3  GLN  12           1HG      GLN  12  -0.183   8.203   5.213
   90   HE21  GLN  12          1HE2      GLN  12  -2.057   7.142   5.715
   91   HE22  GLN  12          2HE2      GLN  12  -2.323   6.416   7.254
   92    H    LEU  13           H        LEU  13   1.376   5.379   1.921
   93    HA   LEU  13           HA       LEU  13   3.735   3.830   2.497
   94    HB2  LEU  13           2HB      LEU  13   1.450   3.343   0.610
   95    HB3  LEU  13           1HB      LEU  13   2.725   2.214   0.989
   96    HG   LEU  13           HG       LEU  13   0.735   3.320   2.905
   97   HD11  LEU  13          1HD1      LEU  13  -0.280   1.693   1.439
   98   HD12  LEU  13          2HD1      LEU  13  -0.084   0.994   3.046
   99   HD13  LEU  13          3HD1      LEU  13   1.028   0.554   1.751
  100   HD21  LEU  13          3HD2      LEU  13   2.801   2.982   4.056
  101   HD22  LEU  13          1HD2      LEU  13   2.989   1.375   3.349
  102   HD23  LEU  13          2HD2      LEU  13   1.694   1.685   4.509
  103    H    MET  14           H        MET  14   2.202   5.567  -0.190
  104    HA   MET  14           HA       MET  14   4.356   5.482  -1.931
  105    HB2  MET  14           2HB      MET  14   2.130   7.372  -1.348
  106    HB3  MET  14           1HB      MET  14   3.303   7.695  -2.620
  107    HG2  MET  14           2HG      MET  14   1.260   6.652  -3.385
  108    HG3  MET  14           1HG      MET  14   2.681   5.737  -3.758
  109    HE1  MET  14           3HE      MET  14   3.369   3.803  -1.648
  110    HE2  MET  14           1HE      MET  14   2.901   3.206  -3.240
  111    HE3  MET  14           2HE      MET  14   2.214   2.476  -1.788
  112    H    ASP  15           H        ASP  15   3.802   7.196   0.985
  113    HA   ASP  15           HA       ASP  15   5.757   9.211   0.805
  114    HB2  ASP  15           2HB      ASP  15   4.055   9.309   2.493
  115    HB3  ASP  15           1HB      ASP  15   4.579   7.783   3.191
  116    H    LEU  16           H        LEU  16   5.978   5.746   1.666
  117    HA   LEU  16           HA       LEU  16   8.547   5.609   2.570
  118    HB2  LEU  16           2HB      LEU  16   6.561   4.079   1.030
  119    HB3  LEU  16           1HB      LEU  16   8.172   3.461   1.082
  120    HG   LEU  16           HG       LEU  16   8.071   3.088   3.336
  121   HD11  LEU  16          1HD1      LEU  16   7.167   5.171   4.115
  122   HD12  LEU  16          2HD1      LEU  16   6.266   3.825   4.815
  123   HD13  LEU  16          3HD1      LEU  16   5.589   4.733   3.462
  124   HD21  LEU  16          3HD2      LEU  16   5.387   2.481   2.197
  125   HD22  LEU  16          1HD2      LEU  16   6.035   1.750   3.668
  126   HD23  LEU  16          2HD2      LEU  16   6.822   1.457   2.116
  127    H    GLY  17           H        GLY  17   7.357   6.548  -0.484
  128    HA2  GLY  17           2HA      GLY  17   8.899   7.607  -2.081
  129    HA3  GLY  17           1HA      GLY  17  10.018   6.285  -1.751
  130    H    PHE  18           H        PHE  18   7.034   5.053  -1.635
  131    HA   PHE  18           HA       PHE  18   7.412   3.621  -4.092
  132    HB2  PHE  18           2HB      PHE  18   5.563   3.368  -1.746
  133    HB3  PHE  18           1HB      PHE  18   5.544   2.237  -3.075
  134    HD1  PHE  18           2HD      PHE  18   8.288   1.878  -3.798
  135    HD2  PHE  18           1HD      PHE  18   6.473   2.398  -0.037
  136    HE1  PHE  18           2HE      PHE  18  10.180   0.723  -2.710
  137    HE2  PHE  18           1HE      PHE  18   8.262   1.308   1.006
  138    HZ   PHE  18           HZ       PHE  18  10.131   0.467  -0.259
  139    HA   PRO  19           HA       PRO  19   4.206   5.698  -6.386
  140    HB2  PRO  19           2HB      PRO  19   3.671   3.916  -8.242
  141    HB3  PRO  19           1HB      PRO  19   5.318   4.535  -8.100
  142    HG2  PRO  19           2HG      PRO  19   4.204   2.028  -6.932
  143    HG3  PRO  19           1HG      PRO  19   5.584   2.260  -8.007
  144    HD2  PRO  19           2HD      PRO  19   5.913   2.131  -5.333
  145    HD3  PRO  19           1HD      PRO  19   6.914   3.189  -6.345
  146    H    ARG  20           H        ARG  20   2.010   5.432  -7.075
  147    HA   ARG  20           HA       ARG  20   0.235   4.612  -5.056
  148    HB2  ARG  20           2HB      ARG  20  -0.370   6.314  -6.648
  149    HB3  ARG  20           1HB      ARG  20  -0.134   5.218  -7.991
  150    HG2  ARG  20           2HG      ARG  20  -2.010   3.911  -7.322
  151    HG3  ARG  20           1HG      ARG  20  -2.236   4.920  -5.905
  152    HD2  ARG  20           2HD      ARG  20  -2.454   6.868  -7.546
  153    HD3  ARG  20           1HD      ARG  20  -2.617   5.633  -8.793
  154    HE   ARG  20           HE       ARG  20  -4.481   5.983  -6.528
  155   HH11  ARG  20          1HH1      ARG  20  -3.788   4.922  -9.797
  156   HH12  ARG  20          2HH1      ARG  20  -5.464   4.704 -10.215
  157   HH21  ARG  20          1HH2      ARG  20  -6.664   5.705  -7.067
  158   HH22  ARG  20          2HH2      ARG  20  -7.109   5.162  -8.655
  159    H    ASP  21           H        ASP  21   1.239   3.203  -8.050
  160    HA   ASP  21           HA       ASP  21  -0.195   0.872  -8.254
  161    HB2  ASP  21           2HB      ASP  21   1.319   1.465  -9.981
  162    HB3  ASP  21           1HB      ASP  21   2.681   1.519  -8.873
  163    H    ALA  22           H        ALA  22   2.425   1.611  -6.039
  164    HA   ALA  22           HA       ALA  22   2.870  -1.086  -5.226
  165    HB1  ALA  22           1HB      ALA  22   3.667   1.446  -3.807
  166    HB2  ALA  22           2HB      ALA  22   4.608   0.639  -5.062
  167    HB3  ALA  22           3HB      ALA  22   4.313  -0.171  -3.524
  168    H    VAL  23           H        VAL  23   0.744   1.517  -4.046
  169    HA   VAL  23           HA       VAL  23   0.120   0.260  -1.588
  170    HB   VAL  23           HB       VAL  23  -0.583   2.675  -2.714
  171   HG11  VAL  23          1HG1      VAL  23  -2.385   1.613  -3.952
  172   HG12  VAL  23          2HG1      VAL  23  -2.991   2.780  -2.770
  173   HG13  VAL  23          3HG1      VAL  23  -3.090   1.045  -2.434
  174   HG21  VAL  23          3HG2      VAL  23  -0.295   2.216  -0.357
  175   HG22  VAL  23          1HG2      VAL  23  -1.814   1.306  -0.341
  176   HG23  VAL  23          2HG2      VAL  23  -1.827   3.042  -0.657
  177    H    VAL  24           H        VAL  24  -1.306   0.262  -4.734
  178    HA   VAL  24           HA       VAL  24  -3.368  -1.473  -3.987
  179    HB   VAL  24           HB       VAL  24  -2.277  -0.580  -6.624
  180   HG11  VAL  24          1HG1      VAL  24  -3.025  -2.877  -6.990
  181   HG12  VAL  24          2HG1      VAL  24  -4.179  -1.752  -7.714
  182   HG13  VAL  24          3HG1      VAL  24  -4.549  -2.533  -6.172
  183   HG21  VAL  24          3HG2      VAL  24  -3.569   1.018  -5.422
  184   HG22  VAL  24          1HG2      VAL  24  -4.831  -0.169  -5.077
  185   HG23  VAL  24          2HG2      VAL  24  -4.586   0.408  -6.731
  186    H    LYS  25           H        LYS  25  -0.248  -2.232  -5.578
  187    HA   LYS  25           HA       LYS  25  -0.797  -4.972  -5.923
  188    HB2  LYS  25           2HB      LYS  25   1.746  -3.415  -5.542
  189    HB3  LYS  25           1HB      LYS  25   1.772  -5.168  -5.660
  190    HG2  LYS  25           2HG      LYS  25   0.920  -5.119  -7.866
  191    HG3  LYS  25           1HG      LYS  25   0.545  -3.395  -7.750
  192    HD2  LYS  25           2HD      LYS  25   2.850  -2.823  -7.652
  193    HD3  LYS  25           1HD      LYS  25   3.324  -4.516  -7.500
  194    HE2  LYS  25           2HE      LYS  25   2.667  -4.983  -9.736
  195    HE3  LYS  25           1HE      LYS  25   1.888  -3.407  -9.898
  196    HZ1  LYS  25           3HZ      LYS  25   4.092  -3.534 -10.971
  197    HZ2  LYS  25           1HZ      LYS  25   4.797  -3.793  -9.451
  198    HZ3  LYS  25           2HZ      LYS  25   3.996  -2.335  -9.779
  199    H    ALA  26           H        ALA  26   0.418  -3.124  -3.190
  200    HA   ALA  26           HA       ALA  26   1.191  -5.549  -1.795
  201    HB1  ALA  26           1HB      ALA  26   1.247  -2.678  -0.874
  202    HB2  ALA  26           2HB      ALA  26   2.587  -3.550  -1.622
  203    HB3  ALA  26           3HB      ALA  26   1.983  -4.050  -0.041
  204    H    LEU  27           H        LEU  27  -1.211  -3.002  -1.505
  205    HA   LEU  27           HA       LEU  27  -2.275  -4.053   0.904
  206    HB2  LEU  27           2HB      LEU  27  -3.289  -2.070  -1.099
  207    HB3  LEU  27           1HB      LEU  27  -4.147  -2.457   0.368
  208    HG   LEU  27           HG       LEU  27  -2.722  -0.333   0.235
  209   HD11  LEU  27          1HD1      LEU  27  -2.337  -2.242   2.503
  210   HD12  LEU  27          2HD1      LEU  27  -3.727  -1.180   2.276
  211   HD13  LEU  27          3HD1      LEU  27  -2.130  -0.493   2.585
  212   HD21  LEU  27          3HD2      LEU  27  -0.432  -0.527   0.871
  213   HD22  LEU  27          1HD2      LEU  27  -0.749  -1.341  -0.663
  214   HD23  LEU  27          2HD2      LEU  27  -0.572  -2.288   0.812
  215    H    LYS  28           H        LYS  28  -2.813  -4.535  -2.529
  216    HA   LYS  28           HA       LYS  28  -5.148  -6.038  -2.388
  217    HB2  LYS  28           2HB      LYS  28  -2.888  -5.927  -4.255
  218    HB3  LYS  28           1HB      LYS  28  -3.831  -7.413  -4.279
  219    HG2  LYS  28           2HG      LYS  28  -5.806  -6.280  -4.850
  220    HG3  LYS  28           1HG      LYS  28  -5.109  -4.702  -4.454
  221    HD2  LYS  28           2HD      LYS  28  -5.157  -4.979  -6.851
  222    HD3  LYS  28           1HD      LYS  28  -3.492  -5.008  -6.258
  223    HE2  LYS  28           2HE      LYS  28  -3.449  -7.427  -6.391
  224    HE3  LYS  28           1HE      LYS  28  -5.139  -7.452  -6.893
  225    HZ1  LYS  28           3HZ      LYS  28  -3.716  -7.726  -8.789
  226    HZ2  LYS  28           1HZ      LYS  28  -2.862  -6.306  -8.420
  227    HZ3  LYS  28           2HZ      LYS  28  -4.487  -6.221  -8.897
  228    H    GLN  29           H        GLN  29  -1.729  -7.191  -1.988
  229    HA   GLN  29           HA       GLN  29  -2.695  -9.860  -1.617
  230    HB2  GLN  29           2HB      GLN  29  -0.353 -10.355  -1.252
  231    HB3  GLN  29           1HB      GLN  29  -0.598  -9.407  -2.668
  232    HG2  GLN  29           2HG      GLN  29  -0.027  -7.423  -1.122
  233    HG3  GLN  29           1HG      GLN  29   0.715  -8.691  -0.154
  234   HE21  GLN  29          1HE2      GLN  29   1.900  -6.478  -1.692
  235   HE22  GLN  29          2HE2      GLN  29   3.021  -7.207  -2.776
  236    H    THR  30           H        THR  30  -1.719  -7.253   0.448
  237    HA   THR  30           HA       THR  30  -1.879  -8.825   2.867
  238    HB   THR  30           HB       THR  30  -1.541  -6.618   3.964
  239    HG1  THR  30           1HG      THR  30  -1.078  -5.558   1.396
  240   HG21  THR  30          3HG2      THR  30   0.360  -8.051   3.319
  241   HG22  THR  30          1HG2      THR  30   0.767  -6.339   3.192
  242   HG23  THR  30          2HG2      THR  30   0.392  -7.268   1.736
  243    H    ASN  31           H        ASN  31  -4.048  -7.268   0.879
  244    HA   ASN  31           HA       ASN  31  -6.205  -6.662   0.971
  245    HB2  ASN  31           2HB      ASN  31  -6.190  -8.143   3.613
  246    HB3  ASN  31           1HB      ASN  31  -7.638  -7.555   2.807
  247   HD21  ASN  31          1HD2      ASN  31  -6.955  -8.240   0.148
  248   HD22  ASN  31          2HD2      ASN  31  -6.933  -9.964   0.028
  249    H    GLY  32           H        GLY  32  -4.580  -4.617   1.481
  250    HA2  GLY  32           2HA      GLY  32  -5.055  -2.469   1.968
  251    HA3  GLY  32           1HA      GLY  32  -6.498  -2.999   2.810
  252    H    ASN  33           H        ASN  33  -4.014  -4.649   4.452
  253    HA   ASN  33           HA       ASN  33  -4.159  -2.590   6.427
  254    HB2  ASN  33           2HB      ASN  33  -3.375  -4.202   7.967
  255    HB3  ASN  33           1HB      ASN  33  -4.605  -4.926   6.986
  256   HD21  ASN  33          1HD2      ASN  33  -2.309  -5.079   4.896
  257   HD22  ASN  33          2HD2      ASN  33  -1.542  -6.555   5.346
  258    H    ALA  34           H        ALA  34  -2.851  -0.993   6.490
  259    HA   ALA  34           HA       ALA  34  -1.038  -0.612   4.474
  260    HB1  ALA  34           1HB      ALA  34  -1.167   0.958   7.029
  261    HB2  ALA  34           2HB      ALA  34  -2.241   1.172   5.647
  262    HB3  ALA  34           3HB      ALA  34  -0.517   1.507   5.483
  263    H    GLU  35           H        GLU  35  -0.138  -1.085   7.896
  264    HA   GLU  35           HA       GLU  35   2.492  -0.717   7.609
  265    HB2  GLU  35           2HB      GLU  35   0.741  -1.342   9.550
  266    HB3  GLU  35           1HB      GLU  35   1.748  -2.755   9.484
  267    HG2  GLU  35           2HG      GLU  35   2.959  -0.095   9.576
  268    HG3  GLU  35           1HG      GLU  35   2.279  -0.777  11.025
  269    H    PHE  36           H        PHE  36   0.661  -3.517   7.566
  270    HA   PHE  36           HA       PHE  36   2.685  -5.402   7.098
  271    HB2  PHE  36           2HB      PHE  36  -0.290  -5.313   6.890
  272    HB3  PHE  36           1HB      PHE  36   0.541  -6.709   6.246
  273    HD1  PHE  36           1HD      PHE  36   0.958  -4.553   9.214
  274    HD2  PHE  36           2HD      PHE  36   0.436  -8.503   7.755
  275    HE1  PHE  36           1HE      PHE  36   1.112  -5.354  11.434
  276    HE2  PHE  36           2HE      PHE  36   0.590  -9.359  10.064
  277    HZ   PHE  36           HZ       PHE  36   0.931  -7.778  11.933
  278    H    ALA  37           H        ALA  37   0.650  -3.491   5.000
  279    HA   ALA  37           HA       ALA  37   1.220  -4.930   2.627
  280    HB1  ALA  37           1HB      ALA  37  -0.760  -3.573   2.927
  281    HB2  ALA  37           2HB      ALA  37   0.180  -3.025   1.539
  282    HB3  ALA  37           3HB      ALA  37   0.243  -2.130   3.056
  283    H    ALA  38           H        ALA  38   2.455  -1.954   4.038
  284    HA   ALA  38           HA       ALA  38   4.231  -1.229   2.041
  285    HB1  ALA  38           1HB      ALA  38   5.398   0.034   3.792
  286    HB2  ALA  38           2HB      ALA  38   4.444  -0.808   5.014
  287    HB3  ALA  38           3HB      ALA  38   3.652   0.261   3.857
  288    H    SER  39           H        SER  39   4.577  -3.454   4.744
  289    HA   SER  39           HA       SER  39   7.422  -3.639   4.465
  290    HB2  SER  39           2HB      SER  39   5.479  -5.323   6.074
  291    HB3  SER  39           1HB      SER  39   7.235  -5.310   6.259
  292    HG   SER  39           HG       SER  39   5.332  -3.395   7.015
  293    H    LEU  40           H        LEU  40   4.607  -5.008   3.231
  294    HA   LEU  40           HA       LEU  40   5.798  -7.425   2.255
  295    HB2  LEU  40           2HB      LEU  40   3.347  -6.839   2.985
  296    HB3  LEU  40           1HB      LEU  40   3.217  -6.257   1.351
  297    HG   LEU  40           HG       LEU  40   2.324  -8.478   1.384
  298   HD11  LEU  40          1HD1      LEU  40   5.131  -8.668   0.304
  299   HD12  LEU  40          2HD1      LEU  40   3.725  -8.049  -0.564
  300   HD13  LEU  40          3HD1      LEU  40   3.789  -9.745  -0.089
  301   HD21  LEU  40          3HD2      LEU  40   3.277  -9.169   3.513
  302   HD22  LEU  40          1HD2      LEU  40   4.865  -9.330   2.759
  303   HD23  LEU  40          2HD2      LEU  40   3.545 -10.393   2.271
  304    H    LEU  41           H        LEU  41   4.807  -4.189   1.057
  305    HA   LEU  41           HA       LEU  41   5.345  -4.847  -1.632
  306    HB2  LEU  41           2HB      LEU  41   4.865  -2.645  -2.164
  307    HB3  LEU  41           1HB      LEU  41   3.824  -3.063  -0.821
  308    HG   LEU  41           HG       LEU  41   5.477  -1.864   0.658
  309   HD11  LEU  41          1HD1      LEU  41   6.933  -0.294  -0.373
  310   HD12  LEU  41          2HD1      LEU  41   6.410  -0.827  -1.973
  311   HD13  LEU  41          3HD1      LEU  41   7.289  -1.935  -0.913
  312   HD21  LEU  41          3HD2      LEU  41   3.327  -0.958   0.060
  313   HD22  LEU  41          1HD2      LEU  41   3.986  -0.346  -1.458
  314   HD23  LEU  41          2HD2      LEU  41   4.548   0.318   0.079
  315    H    PHE  42           H        PHE  42   7.196  -3.856   1.031
  316    HA   PHE  42           HA       PHE  42   9.509  -2.859  -0.001
  317    HB2  PHE  42           2HB      PHE  42   8.692  -4.223   2.424
  318    HB3  PHE  42           1HB      PHE  42  10.387  -4.480   2.036
  319    HD1  PHE  42           1HD      PHE  42   7.823  -1.998   2.147
  320    HD2  PHE  42           2HD      PHE  42  11.918  -2.800   2.738
  321    HE1  PHE  42           1HE      PHE  42   8.125   0.258   2.905
  322    HE2  PHE  42           2HE      PHE  42  12.272  -0.490   3.551
  323    HZ   PHE  42           HZ       PHE  42  10.353   1.069   3.636
  324    H    GLN  43           H        GLN  43   8.144  -5.963  -0.487
  325    HA   GLN  43           HA       GLN  43  10.441  -7.538  -0.826
  326    HB2  GLN  43           2HB      GLN  43   8.968  -9.172  -1.206
  327    HB3  GLN  43           1HB      GLN  43   7.722  -7.975  -0.927
  328    HG2  GLN  43           2HG      GLN  43   8.874  -8.301  -3.649
  329    HG3  GLN  43           1HG      GLN  43   7.708  -9.477  -3.072
  330   HE21  GLN  43          1HE2      GLN  43   6.003  -7.605  -1.675
  331   HE22  GLN  43          2HE2      GLN  43   5.222  -6.638  -2.880
  332    H    SER  44           H        SER  44   9.116  -5.100  -2.770
  333    HA   SER  44           HA       SER  44  10.853  -5.896  -5.009
  334    HB2  SER  44           2HB      SER  44   9.465  -4.277  -6.365
  335    HB3  SER  44           1HB      SER  44   8.576  -5.678  -5.763
  336    HG   SER  44           HG       SER  44   8.648  -3.333  -4.225
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -15.984   4.459   0.464
    2    H2   GLY   1           2HT      GLY   1 -14.333   4.093   0.617
    3    H3   GLY   1           3HT      GLY   1 -15.494   3.009   1.198
    4    HA2  GLY   1           1HA      GLY   1 -16.278   2.582  -1.038
    5    HA3  GLY   1           2HA      GLY   1 -15.093   3.730  -1.654
    6    H    SER   2           H        SER   2 -12.921   3.155  -1.727
    7    HA   SER   2           HA       SER   2 -12.409   0.289  -1.543
    8    HB2  SER   2           2HB      SER   2 -10.211   0.939  -2.614
    9    HB3  SER   2           1HB      SER   2 -11.640   1.329  -3.572
   10    HG   SER   2           HG       SER   2 -10.283   3.144  -1.857
   11    H    ALA   3           H        ALA   3 -12.283  -0.105   0.654
   12    HA   ALA   3           HA       ALA   3 -10.801   1.629   2.405
   13    HB1  ALA   3           1HB      ALA   3 -12.846   0.512   3.148
   14    HB2  ALA   3           2HB      ALA   3 -11.471   0.087   4.166
   15    HB3  ALA   3           3HB      ALA   3 -12.058  -1.054   2.957
   16    H    THR   4           H        THR   4  -9.794  -0.652   0.271
   17    HA   THR   4           HA       THR   4  -7.732  -1.775   1.911
   18    HB   THR   4           HB       THR   4  -7.069  -2.904  -0.291
   19    HG1  THR   4           1HG      THR   4  -9.735  -2.338  -1.029
   20   HG21  THR   4          3HG2      THR   4  -8.801  -4.599  -0.036
   21   HG22  THR   4          1HG2      THR   4  -9.780  -3.481   0.915
   22   HG23  THR   4          2HG2      THR   4  -8.236  -4.059   1.545
   23    H    PHE   5           H        PHE   5  -7.999   0.212  -0.708
   24    HA   PHE   5           HA       PHE   5  -5.205   1.057  -0.687
   25    HB2  PHE   5           2HB      PHE   5  -7.206   1.162  -2.797
   26    HB3  PHE   5           1HB      PHE   5  -5.467   1.246  -3.044
   27    HD1  PHE   5           1HD      PHE   5  -4.732  -0.914  -1.307
   28    HD2  PHE   5           2HD      PHE   5  -7.826  -0.727  -4.166
   29    HE1  PHE   5           1HE      PHE   5  -4.663  -3.182  -1.493
   30    HE2  PHE   5           2HE      PHE   5  -7.752  -3.210  -4.332
   31    HZ   PHE   5           HZ       PHE   5  -6.104  -4.418  -2.878
   32    HA   PRO   6           HA       PRO   6  -8.089   4.931  -0.458
   33    HB2  PRO   6           2HB      PRO   6  -8.053   5.452   2.172
   34    HB3  PRO   6           1HB      PRO   6  -9.250   4.426   1.406
   35    HG2  PRO   6           2HG      PRO   6  -6.849   3.633   2.843
   36    HG3  PRO   6           1HG      PRO   6  -8.496   3.023   2.945
   37    HD2  PRO   6           2HD      PRO   6  -6.626   1.775   1.476
   38    HD3  PRO   6           1HD      PRO   6  -8.300   1.776   0.989
   39    H    GLU   7           H        GLU   7  -7.320   7.016  -0.137
   40    HA   GLU   7           HA       GLU   7  -4.636   7.332  -0.773
   41    HB2  GLU   7           2HB      GLU   7  -6.721   9.286   0.180
   42    HB3  GLU   7           1HB      GLU   7  -5.121   9.773  -0.342
   43    HG2  GLU   7           2HG      GLU   7  -5.516   8.909  -2.549
   44    HG3  GLU   7           1HG      GLU   7  -7.073   8.254  -2.043
   45    H    GLN   8           H        GLN   8  -6.251   7.443   2.348
   46    HA   GLN   8           HA       GLN   8  -4.339   8.541   3.956
   47    HB2  GLN   8           2HB      GLN   8  -6.600   7.501   4.517
   48    HB3  GLN   8           1HB      GLN   8  -5.752   5.982   4.671
   49    HG2  GLN   8           2HG      GLN   8  -5.985   6.874   6.804
   50    HG3  GLN   8           1HG      GLN   8  -4.337   7.184   6.306
   51   HE21  GLN   8          1HE2      GLN   8  -6.351   8.512   8.112
   52   HE22  GLN   8          2HE2      GLN   8  -6.252  10.179   7.689
   53    H    THR   9           H        THR   9  -4.539   5.068   3.111
   54    HA   THR   9           HA       THR   9  -2.049   4.484   4.236
   55    HB   THR   9           HB       THR   9  -2.478   2.253   3.153
   56    HG1  THR   9           1HG      THR   9  -4.415   1.938   2.167
   57   HG21  THR   9          3HG2      THR   9  -3.002   2.701   5.492
   58   HG22  THR   9          1HG2      THR   9  -4.220   1.651   4.763
   59   HG23  THR   9          2HG2      THR   9  -4.562   3.362   5.007
   60    H    ILE  10           H        ILE  10  -3.309   4.908   1.083
   61    HA   ILE  10           HA       ILE  10  -1.225   4.256  -0.538
   62    HB   ILE  10           HB       ILE  10  -3.128   6.564  -0.749
   63   HG12  ILE  10          2HG1      ILE  10  -3.025   3.872  -2.112
   64   HG13  ILE  10          1HG1      ILE  10  -4.146   4.348  -0.841
   65   HG21  ILE  10          1HG2      ILE  10  -2.486   6.697  -3.099
   66   HG22  ILE  10          2HG2      ILE  10  -1.222   5.503  -2.810
   67   HG23  ILE  10          3HG2      ILE  10  -1.143   7.076  -2.021
   68   HD11  ILE  10          3HD1      ILE  10  -3.948   5.601  -3.548
   69   HD12  ILE  10          1HD1      ILE  10  -5.087   6.033  -2.278
   70   HD13  ILE  10          2HD1      ILE  10  -5.171   4.440  -3.031
   71    H    LYS  11           H        LYS  11  -1.849   7.427   0.873
   72    HA   LYS  11           HA       LYS  11   0.595   8.392  -0.124
   73    HB2  LYS  11           2HB      LYS  11  -1.274   9.591   1.892
   74    HB3  LYS  11           1HB      LYS  11   0.089  10.438   1.176
   75    HG2  LYS  11           2HG      LYS  11  -0.890  10.410  -0.961
   76    HG3  LYS  11           1HG      LYS  11  -2.091   9.201  -0.473
   77    HD2  LYS  11           2HD      LYS  11  -3.146  10.826   0.997
   78    HD3  LYS  11           1HD      LYS  11  -1.909  12.019   0.606
   79    HE2  LYS  11           2HE      LYS  11  -3.801  10.793  -1.396
   80    HE3  LYS  11           1HE      LYS  11  -4.053  12.350  -0.613
   81    HZ1  LYS  11           3HZ      LYS  11  -3.084  12.612  -2.804
   82    HZ2  LYS  11           1HZ      LYS  11  -1.757  11.648  -2.370
   83    HZ3  LYS  11           2HZ      LYS  11  -2.002  13.146  -1.612
   84    H    GLN  12           H        GLN  12  -0.294   6.930   2.924
   85    HA   GLN  12           HA       GLN  12   1.983   7.583   4.343
   86    HB2  GLN  12           2HB      GLN  12  -0.189   5.602   4.352
   87    HB3  GLN  12           1HB      GLN  12   1.280   5.085   5.135
   88    HG2  GLN  12           2HG      GLN  12  -0.414   7.456   5.787
   89    HG3  GLN  12           1HG      GLN  12  -0.089   6.047   6.794
   90   HE21  GLN  12          1HE2      GLN  12   1.187   8.989   5.490
   91   HE22  GLN  12          2HE2      GLN  12   2.549   9.117   6.538
   92    H    LEU  13           H        LEU  13   1.343   5.065   1.987
   93    HA   LEU  13           HA       LEU  13   3.814   3.734   2.580
   94    HB2  LEU  13           2HB      LEU  13   1.660   3.087   0.591
   95    HB3  LEU  13           1HB      LEU  13   2.996   2.059   1.042
   96    HG   LEU  13           HG       LEU  13   0.817   2.998   2.839
   97   HD11  LEU  13          1HD1      LEU  13   0.170   0.636   2.937
   98   HD12  LEU  13          2HD1      LEU  13   1.446   0.245   1.784
   99   HD13  LEU  13          3HD1      LEU  13   0.092   1.259   1.288
  100   HD21  LEU  13          3HD2      LEU  13   3.177   1.227   3.426
  101   HD22  LEU  13          1HD2      LEU  13   1.816   1.496   4.515
  102   HD23  LEU  13          2HD2      LEU  13   2.872   2.839   4.077
  103    H    MET  14           H        MET  14   2.206   5.358  -0.148
  104    HA   MET  14           HA       MET  14   4.391   5.436  -1.852
  105    HB2  MET  14           2HB      MET  14   2.007   7.131  -1.312
  106    HB3  MET  14           1HB      MET  14   3.149   7.554  -2.577
  107    HG2  MET  14           2HG      MET  14   1.239   6.330  -3.372
  108    HG3  MET  14           1HG      MET  14   2.728   5.501  -3.684
  109    HE1  MET  14           3HE      MET  14   3.460   3.652  -1.452
  110    HE2  MET  14           1HE      MET  14   3.106   3.012  -3.057
  111    HE3  MET  14           2HE      MET  14   2.389   2.259  -1.632
  112    H    ASP  15           H        ASP  15   3.657   7.120   1.041
  113    HA   ASP  15           HA       ASP  15   5.446   9.275   0.905
  114    HB2  ASP  15           2HB      ASP  15   3.735   9.212   2.572
  115    HB3  ASP  15           1HB      ASP  15   4.372   7.721   3.259
  116    H    LEU  16           H        LEU  16   5.991   5.827   1.865
  117    HA   LEU  16           HA       LEU  16   8.585   6.097   2.758
  118    HB2  LEU  16           2HB      LEU  16   6.973   4.095   1.321
  119    HB3  LEU  16           1HB      LEU  16   8.642   3.812   1.620
  120    HG   LEU  16           HG       LEU  16   7.622   2.801   3.317
  121   HD11  LEU  16          1HD1      LEU  16   9.406   4.160   4.173
  122   HD12  LEU  16          2HD1      LEU  16   8.103   4.072   5.360
  123   HD13  LEU  16          3HD1      LEU  16   8.289   5.514   4.357
  124   HD21  LEU  16          3HD2      LEU  16   5.420   3.625   2.893
  125   HD22  LEU  16          1HD2      LEU  16   5.844   5.138   3.683
  126   HD23  LEU  16          2HD2      LEU  16   5.794   3.640   4.618
  127    H    GLY  17           H        GLY  17   7.246   6.577  -0.329
  128    HA2  GLY  17           2HA      GLY  17   8.673   7.847  -1.925
  129    HA3  GLY  17           1HA      GLY  17   9.909   6.631  -1.613
  130    H    PHE  18           H        PHE  18   6.977   5.191  -1.491
  131    HA   PHE  18           HA       PHE  18   7.532   3.706  -3.867
  132    HB2  PHE  18           2HB      PHE  18   5.496   3.499  -1.688
  133    HB3  PHE  18           1HB      PHE  18   5.640   2.309  -2.960
  134    HD1  PHE  18           2HD      PHE  18   8.561   2.136  -3.322
  135    HD2  PHE  18           1HD      PHE  18   6.149   2.511   0.075
  136    HE1  PHE  18           2HE      PHE  18  10.318   1.066  -1.948
  137    HE2  PHE  18           1HE      PHE  18   7.796   1.505   1.423
  138    HZ   PHE  18           HZ       PHE  18   9.891   0.766   0.465
  139    HA   PRO  19           HA       PRO  19   4.404   5.317  -6.568
  140    HB2  PRO  19           2HB      PRO  19   3.903   3.223  -8.066
  141    HB3  PRO  19           1HB      PRO  19   5.564   3.813  -7.965
  142    HG2  PRO  19           2HG      PRO  19   4.311   1.626  -6.372
  143    HG3  PRO  19           1HG      PRO  19   5.729   1.585  -7.423
  144    HD2  PRO  19           2HD      PRO  19   5.990   1.998  -4.753
  145    HD3  PRO  19           1HD      PRO  19   7.045   2.816  -5.937
  146    H    ARG  20           H        ARG  20   2.216   4.873  -7.319
  147    HA   ARG  20           HA       ARG  20   0.433   4.481  -5.127
  148    HB2  ARG  20           2HB      ARG  20  -0.135   6.044  -6.863
  149    HB3  ARG  20           1HB      ARG  20   0.071   4.832  -8.108
  150    HG2  ARG  20           2HG      ARG  20  -1.847   3.643  -7.343
  151    HG3  ARG  20           1HG      ARG  20  -2.031   4.761  -6.007
  152    HD2  ARG  20           2HD      ARG  20  -2.246   6.592  -7.736
  153    HD3  ARG  20           1HD      ARG  20  -2.371   5.311  -8.939
  154    HE   ARG  20           HE       ARG  20  -4.392   6.133  -7.042
  155   HH11  ARG  20          1HH1      ARG  20  -3.287   3.598  -9.200
  156   HH12  ARG  20          2HH1      ARG  20  -4.843   2.822  -9.290
  157   HH21  ARG  20          1HH2      ARG  20  -6.436   5.135  -7.184
  158   HH22  ARG  20          2HH2      ARG  20  -6.637   3.700  -8.138
  159    H    ASP  21           H        ASP  21   1.409   2.732  -7.935
  160    HA   ASP  21           HA       ASP  21  -0.240   0.504  -7.864
  161    HB2  ASP  21           2HB      ASP  21   2.675   0.688  -8.652
  162    HB3  ASP  21           1HB      ASP  21   1.646  -0.702  -8.977
  163    H    ALA  22           H        ALA  22   2.424   1.377  -5.797
  164    HA   ALA  22           HA       ALA  22   2.934  -1.249  -4.825
  165    HB1  ALA  22           1HB      ALA  22   4.318  -0.188  -3.149
  166    HB2  ALA  22           2HB      ALA  22   3.652   1.390  -3.568
  167    HB3  ALA  22           3HB      ALA  22   4.635   0.508  -4.738
  168    H    VAL  23           H        VAL  23   0.808   1.426  -3.769
  169    HA   VAL  23           HA       VAL  23   0.075   0.186  -1.331
  170    HB   VAL  23           HB       VAL  23  -0.544   2.606  -2.449
  171   HG11  VAL  23          1HG1      VAL  23  -3.083   1.004  -2.371
  172   HG12  VAL  23          2HG1      VAL  23  -2.283   1.611  -3.827
  173   HG13  VAL  23          3HG1      VAL  23  -2.952   2.746  -2.648
  174   HG21  VAL  23          3HG2      VAL  23  -1.915   2.951  -0.473
  175   HG22  VAL  23          1HG2      VAL  23  -0.423   2.089  -0.090
  176   HG23  VAL  23          2HG2      VAL  23  -1.961   1.209  -0.204
  177    H    VAL  24           H        VAL  24  -1.233   0.191  -4.522
  178    HA   VAL  24           HA       VAL  24  -3.375  -1.449  -3.815
  179    HB   VAL  24           HB       VAL  24  -2.160  -0.658  -6.426
  180   HG11  VAL  24          1HG1      VAL  24  -2.947  -2.931  -6.799
  181   HG12  VAL  24          2HG1      VAL  24  -4.066  -1.799  -7.564
  182   HG13  VAL  24          3HG1      VAL  24  -4.487  -2.556  -6.023
  183   HG21  VAL  24          3HG2      VAL  24  -4.747  -0.125  -4.982
  184   HG22  VAL  24          1HG2      VAL  24  -4.453   0.371  -6.653
  185   HG23  VAL  24          2HG2      VAL  24  -3.450   1.013  -5.352
  186    H    LYS  25           H        LYS  25  -0.236  -2.362  -5.244
  187    HA   LYS  25           HA       LYS  25  -0.972  -5.073  -5.555
  188    HB2  LYS  25           2HB      LYS  25   1.736  -3.786  -5.205
  189    HB3  LYS  25           1HB      LYS  25   1.499  -5.483  -5.602
  190    HG2  LYS  25           2HG      LYS  25   0.491  -4.936  -7.689
  191    HG3  LYS  25           1HG      LYS  25   0.440  -3.223  -7.277
  192    HD2  LYS  25           2HD      LYS  25   2.269  -3.665  -8.806
  193    HD3  LYS  25           1HD      LYS  25   2.887  -3.174  -7.227
  194    HE2  LYS  25           2HE      LYS  25   3.397  -5.459  -6.662
  195    HE3  LYS  25           1HE      LYS  25   2.629  -6.035  -8.141
  196    HZ1  LYS  25           3HZ      LYS  25   5.014  -5.999  -8.388
  197    HZ2  LYS  25           1HZ      LYS  25   5.071  -4.350  -7.987
  198    HZ3  LYS  25           2HZ      LYS  25   4.315  -4.852  -9.419
  199    H    ALA  26           H        ALA  26   0.340  -3.242  -2.833
  200    HA   ALA  26           HA       ALA  26   0.987  -5.646  -1.385
  201    HB1  ALA  26           1HB      ALA  26   1.114  -2.745  -0.583
  202    HB2  ALA  26           2HB      ALA  26   2.447  -3.700  -1.233
  203    HB3  ALA  26           3HB      ALA  26   1.760  -4.100   0.342
  204    H    LEU  27           H        LEU  27  -1.331  -2.972  -1.209
  205    HA   LEU  27           HA       LEU  27  -2.526  -3.958   1.155
  206    HB2  LEU  27           2HB      LEU  27  -3.448  -2.017  -0.942
  207    HB3  LEU  27           1HB      LEU  27  -4.372  -2.366   0.494
  208    HG   LEU  27           HG       LEU  27  -2.930  -0.233   0.378
  209   HD11  LEU  27          1HD1      LEU  27  -2.487  -0.323   2.749
  210   HD12  LEU  27          2HD1      LEU  27  -2.611  -2.081   2.714
  211   HD13  LEU  27          3HD1      LEU  27  -4.034  -1.092   2.396
  212   HD21  LEU  27          3HD2      LEU  27  -0.836  -2.214   1.063
  213   HD22  LEU  27          1HD2      LEU  27  -0.672  -0.459   1.136
  214   HD23  LEU  27          2HD2      LEU  27  -0.938  -1.264  -0.417
  215    H    LYS  28           H        LYS  28  -2.864  -4.550  -2.267
  216    HA   LYS  28           HA       LYS  28  -5.203  -6.044  -2.290
  217    HB2  LYS  28           2HB      LYS  28  -2.843  -5.867  -3.982
  218    HB3  LYS  28           1HB      LYS  28  -3.579  -7.465  -3.990
  219    HG2  LYS  28           2HG      LYS  28  -5.596  -6.664  -4.835
  220    HG3  LYS  28           1HG      LYS  28  -5.222  -4.998  -4.391
  221    HD2  LYS  28           2HD      LYS  28  -4.987  -5.254  -6.770
  222    HD3  LYS  28           1HD      LYS  28  -3.404  -4.999  -6.028
  223    HE2  LYS  28           2HE      LYS  28  -2.902  -7.350  -6.184
  224    HE3  LYS  28           1HE      LYS  28  -4.528  -7.696  -6.770
  225    HZ1  LYS  28           3HZ      LYS  28  -2.529  -6.017  -8.192
  226    HZ2  LYS  28           1HZ      LYS  28  -4.073  -6.436  -8.755
  227    HZ3  LYS  28           2HZ      LYS  28  -2.891  -7.633  -8.562
  228    H    GLN  29           H        GLN  29  -1.836  -7.273  -1.637
  229    HA   GLN  29           HA       GLN  29  -2.875  -9.914  -1.393
  230    HB2  GLN  29           2HB      GLN  29  -0.698 -10.520  -1.232
  231    HB3  GLN  29           1HB      GLN  29  -0.521  -9.005  -2.051
  232    HG2  GLN  29           2HG      GLN  29  -0.471  -8.770   0.803
  233    HG3  GLN  29           1HG      GLN  29   0.778  -9.795   0.171
  234   HE21  GLN  29          1HE2      GLN  29   1.044  -8.324  -2.326
  235   HE22  GLN  29          2HE2      GLN  29   1.824  -6.839  -1.894
  236    H    THR  30           H        THR  30  -2.001  -7.373   0.809
  237    HA   THR  30           HA       THR  30  -2.389  -8.940   3.188
  238    HB   THR  30           HB       THR  30  -2.042  -6.740   4.310
  239    HG1  THR  30           1HG      THR  30  -1.325  -5.656   1.820
  240   HG21  THR  30          3HG2      THR  30  -0.151  -8.228   3.797
  241   HG22  THR  30          1HG2      THR  30   0.316  -6.529   3.674
  242   HG23  THR  30          2HG2      THR  30   0.001  -7.466   2.212
  243    H    ASN  31           H        ASN  31  -4.363  -7.285   1.072
  244    HA   ASN  31           HA       ASN  31  -6.486  -6.588   1.019
  245    HB2  ASN  31           2HB      ASN  31  -6.658  -8.208   3.554
  246    HB3  ASN  31           1HB      ASN  31  -8.043  -7.334   2.908
  247   HD21  ASN  31          1HD2      ASN  31  -5.988 -10.070   2.576
  248   HD22  ASN  31          2HD2      ASN  31  -6.842 -10.818   1.273
  249    H    GLY  32           H        GLY  32  -4.831  -4.623   1.600
  250    HA2  GLY  32           2HA      GLY  32  -5.270  -2.458   1.991
  251    HA3  GLY  32           1HA      GLY  32  -6.782  -2.917   2.745
  252    H    ASN  33           H        ASN  33  -4.054  -4.429   4.396
  253    HA   ASN  33           HA       ASN  33  -4.382  -2.329   6.336
  254    HB2  ASN  33           2HB      ASN  33  -3.958  -3.779   8.039
  255    HB3  ASN  33           1HB      ASN  33  -4.878  -4.737   6.904
  256   HD21  ASN  33          1HD2      ASN  33  -3.695  -5.947   5.450
  257   HD22  ASN  33          2HD2      ASN  33  -2.278  -6.795   5.986
  258    H    ALA  34           H        ALA  34  -2.790  -1.042   6.979
  259    HA   ALA  34           HA       ALA  34  -1.006  -0.464   4.952
  260    HB1  ALA  34           1HB      ALA  34  -0.207   1.338   6.334
  261    HB2  ALA  34           2HB      ALA  34  -0.906   0.580   7.764
  262    HB3  ALA  34           3HB      ALA  34  -1.957   1.187   6.485
  263    H    GLU  35           H        GLU  35   0.050  -1.438   8.248
  264    HA   GLU  35           HA       GLU  35   2.632  -1.211   7.712
  265    HB2  GLU  35           2HB      GLU  35   1.224  -2.853   9.722
  266    HB3  GLU  35           1HB      GLU  35   2.952  -2.641   9.695
  267    HG2  GLU  35           2HG      GLU  35   0.963  -0.455   9.880
  268    HG3  GLU  35           1HG      GLU  35   1.837  -1.165  11.207
  269    H    PHE  36           H        PHE  36   0.639  -3.918   7.416
  270    HA   PHE  36           HA       PHE  36   2.601  -5.848   6.834
  271    HB2  PHE  36           2HB      PHE  36  -0.357  -5.607   6.589
  272    HB3  PHE  36           1HB      PHE  36   0.422  -6.953   5.789
  273    HD1  PHE  36           1HD      PHE  36   0.920  -5.176   8.979
  274    HD2  PHE  36           2HD      PHE  36   0.199  -8.910   7.091
  275    HE1  PHE  36           1HE      PHE  36   1.018  -6.220  11.097
  276    HE2  PHE  36           2HE      PHE  36   0.294 -10.021   9.295
  277    HZ   PHE  36           HZ       PHE  36   0.704  -8.672  11.326
  278    H    ALA  37           H        ALA  37   0.622  -3.731   4.863
  279    HA   ALA  37           HA       ALA  37   1.264  -4.998   2.417
  280    HB1  ALA  37           1HB      ALA  37   0.220  -3.050   1.443
  281    HB2  ALA  37           2HB      ALA  37   0.264  -2.237   3.008
  282    HB3  ALA  37           3HB      ALA  37  -0.734  -3.677   2.788
  283    H    ALA  38           H        ALA  38   2.465  -2.132   4.070
  284    HA   ALA  38           HA       ALA  38   4.282  -1.262   2.170
  285    HB1  ALA  38           1HB      ALA  38   5.424  -0.122   3.992
  286    HB2  ALA  38           2HB      ALA  38   4.518  -1.074   5.166
  287    HB3  ALA  38           3HB      ALA  38   3.677   0.067   4.119
  288    H    SER  39           H        SER  39   4.539  -3.744   4.638
  289    HA   SER  39           HA       SER  39   7.391  -3.914   4.424
  290    HB2  SER  39           2HB      SER  39   5.388  -5.729   5.794
  291    HB3  SER  39           1HB      SER  39   7.140  -5.790   6.000
  292    HG   SER  39           HG       SER  39   5.291  -3.883   6.917
  293    H    LEU  40           H        LEU  40   4.590  -5.204   2.946
  294    HA   LEU  40           HA       LEU  40   5.888  -7.434   1.742
  295    HB2  LEU  40           2HB      LEU  40   3.254  -6.400   2.155
  296    HB3  LEU  40           1HB      LEU  40   3.533  -6.605   0.476
  297    HG   LEU  40           HG       LEU  40   2.482  -8.606   1.364
  298   HD11  LEU  40          1HD1      LEU  40   4.112 -10.293   0.651
  299   HD12  LEU  40          2HD1      LEU  40   5.378  -9.065   0.668
  300   HD13  LEU  40          3HD1      LEU  40   4.034  -8.930  -0.465
  301   HD21  LEU  40          3HD2      LEU  40   3.265  -8.361   3.675
  302   HD22  LEU  40          1HD2      LEU  40   4.892  -8.812   3.167
  303   HD23  LEU  40          2HD2      LEU  40   3.574  -9.978   3.044
  304    H    LEU  41           H        LEU  41   4.796  -4.136   0.887
  305    HA   LEU  41           HA       LEU  41   5.370  -4.491  -1.849
  306    HB2  LEU  41           2HB      LEU  41   4.767  -2.268  -2.139
  307    HB3  LEU  41           1HB      LEU  41   3.750  -2.883  -0.853
  308    HG   LEU  41           HG       LEU  41   5.380  -1.791   0.746
  309   HD11  LEU  41          1HD1      LEU  41   6.207  -0.461  -1.784
  310   HD12  LEU  41          2HD1      LEU  41   7.164  -1.569  -0.799
  311   HD13  LEU  41          3HD1      LEU  41   6.692   0.004  -0.152
  312   HD21  LEU  41          3HD2      LEU  41   3.169  -0.933   0.305
  313   HD22  LEU  41          1HD2      LEU  41   3.767  -0.097  -1.126
  314   HD23  LEU  41          2HD2      LEU  41   4.330   0.388   0.475
  315    H    PHE  42           H        PHE  42   7.126  -3.672   0.926
  316    HA   PHE  42           HA       PHE  42   9.411  -2.464   0.108
  317    HB2  PHE  42           2HB      PHE  42   8.581  -4.051   2.342
  318    HB3  PHE  42           1HB      PHE  42  10.258  -4.392   1.933
  319    HD1  PHE  42           1HD      PHE  42   7.844  -1.808   2.420
  320    HD2  PHE  42           2HD      PHE  42  11.935  -2.834   2.633
  321    HE1  PHE  42           1HE      PHE  42   8.316   0.346   3.386
  322    HE2  PHE  42           2HE      PHE  42  12.452  -0.642   3.657
  323    HZ   PHE  42           HZ       PHE  42  10.621   0.977   4.040
  324    H    GLN  43           H        GLN  43   8.244  -5.575  -0.770
  325    HA   GLN  43           HA       GLN  43  10.647  -6.943  -1.327
  326    HB2  GLN  43           2HB      GLN  43   9.374  -8.534  -2.379
  327    HB3  GLN  43           1HB      GLN  43   8.127  -7.731  -1.440
  328    HG2  GLN  43           2HG      GLN  43   8.352  -6.399  -3.942
  329    HG3  GLN  43           1HG      GLN  43   8.260  -8.134  -4.239
  330   HE21  GLN  43          1HE2      GLN  43   6.601  -5.328  -3.156
  331   HE22  GLN  43          2HE2      GLN  43   5.045  -6.053  -2.948
  332    H    SER  44           H        SER  44   9.288  -4.243  -2.788
  333    HA   SER  44           HA       SER  44  10.650  -4.558  -5.326
  334    HB2  SER  44           2HB      SER  44   9.178  -2.149  -4.228
  335    HB3  SER  44           1HB      SER  44   9.631  -2.433  -5.909
  336    HG   SER  44           HG       SER  44   7.407  -2.946  -5.389
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1 -12.861  -1.852  -6.494
    2    H2   GLY   1           2HT      GLY   1 -13.884  -3.117  -6.029
    3    H3   GLY   1           3HT      GLY   1 -12.329  -3.456  -6.615
    4    HA2  GLY   1           1HA      GLY   1 -12.404  -3.704  -4.219
    5    HA3  GLY   1           2HA      GLY   1 -11.335  -2.393  -4.699
    6    H    SER   2           H        SER   2 -12.392  -2.566  -2.134
    7    HA   SER   2           HA       SER   2 -14.257  -0.287  -2.130
    8    HB2  SER   2           2HB      SER   2 -14.201  -2.584  -0.151
    9    HB3  SER   2           1HB      SER   2 -15.295  -1.200  -0.103
   10    HG   SER   2           HG       SER   2 -15.467  -3.496  -1.550
   11    H    ALA   3           H        ALA   3 -12.243   0.928  -2.100
   12    HA   ALA   3           HA       ALA   3 -10.537   2.076  -1.140
   13    HB1  ALA   3           1HB      ALA   3 -12.225   1.736   1.332
   14    HB2  ALA   3           2HB      ALA   3 -12.400   3.005   0.120
   15    HB3  ALA   3           3HB      ALA   3 -10.941   2.925   1.108
   16    H    THR   4           H        THR   4  -9.746  -0.417  -1.523
   17    HA   THR   4           HA       THR   4  -8.637  -1.515   0.891
   18    HB   THR   4           HB       THR   4  -7.930  -2.428  -1.862
   19    HG1  THR   4           1HG      THR   4 -10.129  -3.591  -0.568
   20   HG21  THR   4          3HG2      THR   4  -6.783  -3.469   0.061
   21   HG22  THR   4          1HG2      THR   4  -7.798  -4.623  -0.805
   22   HG23  THR   4          2HG2      THR   4  -8.349  -3.939   0.723
   23    H    PHE   5           H        PHE   5  -7.845   0.609  -1.396
   24    HA   PHE   5           HA       PHE   5  -5.005   0.816  -0.691
   25    HB2  PHE   5           2HB      PHE   5  -6.368   1.277  -3.235
   26    HB3  PHE   5           1HB      PHE   5  -4.625   1.153  -3.051
   27    HD1  PHE   5           1HD      PHE   5  -4.430  -1.017  -1.368
   28    HD2  PHE   5           2HD      PHE   5  -7.038  -0.575  -4.632
   29    HE1  PHE   5           1HE      PHE   5  -4.586  -3.312  -1.506
   30    HE2  PHE   5           2HE      PHE   5  -7.213  -3.058  -4.759
   31    HZ   PHE   5           HZ       PHE   5  -5.931  -4.399  -3.060
   32    HA   PRO   6           HA       PRO   6  -7.683   4.843  -0.686
   33    HB2  PRO   6           2HB      PRO   6  -7.974   5.229   1.934
   34    HB3  PRO   6           1HB      PRO   6  -8.994   4.147   1.005
   35    HG2  PRO   6           2HG      PRO   6  -6.685   3.476   2.649
   36    HG3  PRO   6           1HG      PRO   6  -8.290   2.755   2.589
   37    HD2  PRO   6           2HD      PRO   6  -6.221   1.681   1.255
   38    HD3  PRO   6           1HD      PRO   6  -7.849   1.595   0.623
   39    H    GLU   7           H        GLU   7  -7.215   6.970   0.243
   40    HA   GLU   7           HA       GLU   7  -4.624   7.750  -0.285
   41    HB2  GLU   7           2HB      GLU   7  -6.445   9.312   1.519
   42    HB3  GLU   7           1HB      GLU   7  -5.265   9.918   0.382
   43    HG2  GLU   7           2HG      GLU   7  -7.260  10.362  -0.662
   44    HG3  GLU   7           1HG      GLU   7  -6.766   8.839  -1.389
   45    H    GLN   8           H        GLN   8  -6.149   7.088   2.849
   46    HA   GLN   8           HA       GLN   8  -4.217   7.820   4.621
   47    HB2  GLN   8           2HB      GLN   8  -6.231   6.814   5.404
   48    HB3  GLN   8           1HB      GLN   8  -5.900   5.320   4.543
   49    HG2  GLN   8           2HG      GLN   8  -3.935   4.978   5.992
   50    HG3  GLN   8           1HG      GLN   8  -4.422   6.392   6.898
   51   HE21  GLN   8          1HE2      GLN   8  -7.305   5.719   6.623
   52   HE22  GLN   8          2HE2      GLN   8  -7.565   4.400   7.709
   53    H    THR   9           H        THR   9  -4.332   4.573   3.237
   54    HA   THR   9           HA       THR   9  -1.783   3.840   3.984
   55    HB   THR   9           HB       THR   9  -2.191   1.904   2.511
   56    HG1  THR   9           1HG      THR   9  -3.575   3.132   1.017
   57   HG21  THR   9          3HG2      THR   9  -4.057   0.991   3.810
   58   HG22  THR   9          1HG2      THR   9  -4.450   2.620   4.360
   59   HG23  THR   9          2HG2      THR   9  -2.927   1.871   4.838
   60    H    ILE  10           H        ILE  10  -3.153   5.123   1.132
   61    HA   ILE  10           HA       ILE  10  -1.171   4.926  -0.732
   62    HB   ILE  10           HB       ILE  10  -3.183   7.075  -0.144
   63   HG12  ILE  10          2HG1      ILE  10  -3.896   4.974  -1.240
   64   HG13  ILE  10          1HG1      ILE  10  -4.178   6.399  -2.233
   65   HG21  ILE  10          1HG2      ILE  10  -1.257   8.268  -0.965
   66   HG22  ILE  10          2HG2      ILE  10  -2.541   8.261  -2.172
   67   HG23  ILE  10          3HG2      ILE  10  -1.155   7.187  -2.353
   68   HD11  ILE  10          3HD1      ILE  10  -3.325   4.558  -3.546
   69   HD12  ILE  10          1HD1      ILE  10  -1.903   4.471  -2.507
   70   HD13  ILE  10          2HD1      ILE  10  -2.173   5.895  -3.515
   71    H    LYS  11           H        LYS  11  -1.677   7.526   1.586
   72    HA   LYS  11           HA       LYS  11   0.715   8.751   0.794
   73    HB2  LYS  11           2HB      LYS  11  -0.981   9.225   3.223
   74    HB3  LYS  11           1HB      LYS  11   0.303  10.292   2.680
   75    HG2  LYS  11           2HG      LYS  11  -0.893  10.876   0.727
   76    HG3  LYS  11           1HG      LYS  11  -2.084   9.589   0.998
   77    HD2  LYS  11           2HD      LYS  11  -2.962  10.712   2.906
   78    HD3  LYS  11           1HD      LYS  11  -1.621  11.858   2.937
   79    HE2  LYS  11           2HE      LYS  11  -2.394  12.785   0.797
   80    HE3  LYS  11           1HE      LYS  11  -3.753  11.660   0.813
   81    HZ1  LYS  11           3HZ      LYS  11  -4.661  12.700   2.703
   82    HZ2  LYS  11           1HZ      LYS  11  -4.224  13.964   1.658
   83    HZ3  LYS  11           2HZ      LYS  11  -3.250  13.599   2.999
   84    H    GLN  12           H        GLN  12  -0.034   6.495   3.362
   85    HA   GLN  12           HA       GLN  12   2.302   6.839   4.794
   86    HB2  GLN  12           2HB      GLN  12   0.175   4.803   4.391
   87    HB3  GLN  12           1HB      GLN  12   1.606   4.356   5.260
   88    HG2  GLN  12           2HG      GLN  12   1.284   6.142   6.822
   89    HG3  GLN  12           1HG      GLN  12  -0.119   6.623   5.910
   90   HE21  GLN  12          1HE2      GLN  12  -1.992   5.468   6.033
   91   HE22  GLN  12          2HE2      GLN  12  -2.269   4.286   7.261
   92    H    LEU  13           H        LEU  13   1.559   4.950   1.949
   93    HA   LEU  13           HA       LEU  13   4.060   3.554   2.115
   94    HB2  LEU  13           2HB      LEU  13   1.840   3.379   0.113
   95    HB3  LEU  13           1HB      LEU  13   3.203   2.300   0.247
   96    HG   LEU  13           HG       LEU  13   1.074   2.713   2.279
   97   HD11  LEU  13          1HD1      LEU  13   0.323   1.412   0.389
   98   HD12  LEU  13          2HD1      LEU  13   0.512   0.367   1.798
   99   HD13  LEU  13          3HD1      LEU  13   1.733   0.362   0.523
  100   HD21  LEU  13          3HD2      LEU  13   2.137   0.911   3.541
  101   HD22  LEU  13          1HD2      LEU  13   3.199   2.308   3.369
  102   HD23  LEU  13          2HD2      LEU  13   3.453   0.877   2.369
  103    H    MET  14           H        MET  14   2.303   5.755  -0.098
  104    HA   MET  14           HA       MET  14   4.426   6.199  -1.839
  105    HB2  MET  14           2HB      MET  14   2.050   7.740  -0.898
  106    HB3  MET  14           1HB      MET  14   3.162   8.391  -2.098
  107    HG2  MET  14           2HG      MET  14   1.239   7.375  -3.072
  108    HG3  MET  14           1HG      MET  14   2.688   6.565  -3.556
  109    HE1  MET  14           3HE      MET  14   3.381   4.358  -1.738
  110    HE2  MET  14           1HE      MET  14   2.945   3.968  -3.401
  111    HE3  MET  14           2HE      MET  14   2.254   3.042  -2.069
  112    H    ASP  15           H        ASP  15   3.736   7.247   1.351
  113    HA   ASP  15           HA       ASP  15   5.435   9.408   1.734
  114    HB2  ASP  15           2HB      ASP  15   3.801   8.245   3.365
  115    HB3  ASP  15           1HB      ASP  15   5.150   7.183   3.724
  116    H    LEU  16           H        LEU  16   6.140   5.859   1.948
  117    HA   LEU  16           HA       LEU  16   8.831   6.315   2.721
  118    HB2  LEU  16           2HB      LEU  16   7.766   3.889   1.332
  119    HB3  LEU  16           1HB      LEU  16   9.062   4.000   2.489
  120    HG   LEU  16           HG       LEU  16   6.204   4.516   3.134
  121   HD11  LEU  16          1HD1      LEU  16   6.368   2.276   2.507
  122   HD12  LEU  16          2HD1      LEU  16   6.271   2.343   4.265
  123   HD13  LEU  16          3HD1      LEU  16   7.822   2.043   3.478
  124   HD21  LEU  16          3HD2      LEU  16   8.599   4.112   4.915
  125   HD22  LEU  16          1HD2      LEU  16   6.937   4.328   5.464
  126   HD23  LEU  16          2HD2      LEU  16   7.768   5.643   4.634
  127    H    GLY  17           H        GLY  17   7.324   6.909  -0.180
  128    HA2  GLY  17           2HA      GLY  17   8.646   8.005  -1.896
  129    HA3  GLY  17           1HA      GLY  17   9.903   6.808  -1.614
  130    H    PHE  18           H        PHE  18   6.804   5.495  -1.540
  131    HA   PHE  18           HA       PHE  18   7.411   4.034  -3.974
  132    HB2  PHE  18           2HB      PHE  18   5.412   3.604  -1.776
  133    HB3  PHE  18           1HB      PHE  18   5.701   2.470  -3.064
  134    HD1  PHE  18           2HD      PHE  18   8.554   2.375  -3.393
  135    HD2  PHE  18           1HD      PHE  18   6.175   2.804   0.030
  136    HE1  PHE  18           2HE      PHE  18  10.375   1.447  -2.001
  137    HE2  PHE  18           1HE      PHE  18   7.881   1.953   1.389
  138    HZ   PHE  18           HZ       PHE  18   9.996   1.247   0.431
  139    HA   PRO  19           HA       PRO  19   4.141   5.917  -6.318
  140    HB2  PRO  19           2HB      PRO  19   3.742   4.126  -8.191
  141    HB3  PRO  19           1HB      PRO  19   5.362   4.804  -8.002
  142    HG2  PRO  19           2HG      PRO  19   4.307   2.266  -6.846
  143    HG3  PRO  19           1HG      PRO  19   5.691   2.531  -7.906
  144    HD2  PRO  19           2HD      PRO  19   6.005   2.438  -5.230
  145    HD3  PRO  19           1HD      PRO  19   6.966   3.541  -6.237
  146    H    ARG  20           H        ARG  20   1.964   5.494  -7.066
  147    HA   ARG  20           HA       ARG  20   0.256   4.750  -4.968
  148    HB2  ARG  20           2HB      ARG  20  -0.521   6.303  -6.572
  149    HB3  ARG  20           1HB      ARG  20  -0.110   5.263  -7.910
  150    HG2  ARG  20           2HG      ARG  20  -1.891   3.749  -7.310
  151    HG3  ARG  20           1HG      ARG  20  -2.312   4.788  -5.956
  152    HD2  ARG  20           2HD      ARG  20  -2.829   6.604  -7.466
  153    HD3  ARG  20           1HD      ARG  20  -2.310   5.637  -8.840
  154    HE   ARG  20           HE       ARG  20  -4.550   4.691  -7.194
  155   HH11  ARG  20          1HH1      ARG  20  -3.355   6.000 -10.216
  156   HH12  ARG  20          2HH1      ARG  20  -4.785   5.590 -11.112
  157   HH21  ARG  20          1HH2      ARG  20  -6.450   4.174  -8.362
  158   HH22  ARG  20          2HH2      ARG  20  -6.556   4.565 -10.053
  159    H    ASP  21           H        ASP  21   1.214   3.123  -7.904
  160    HA   ASP  21           HA       ASP  21  -0.449   0.885  -7.738
  161    HB2  ASP  21           2HB      ASP  21   2.284   1.229  -8.964
  162    HB3  ASP  21           1HB      ASP  21   1.362  -0.266  -9.105
  163    H    ALA  22           H        ALA  22   2.388   1.681  -5.914
  164    HA   ALA  22           HA       ALA  22   2.953  -0.982  -5.039
  165    HB1  ALA  22           1HB      ALA  22   4.687   0.740  -5.034
  166    HB2  ALA  22           2HB      ALA  22   4.454   0.051  -3.427
  167    HB3  ALA  22           3HB      ALA  22   3.791   1.641  -3.810
  168    H    VAL  23           H        VAL  23   0.897   1.662  -3.874
  169    HA   VAL  23           HA       VAL  23   0.255   0.536  -1.372
  170    HB   VAL  23           HB       VAL  23  -0.434   2.852  -2.611
  171   HG11  VAL  23          1HG1      VAL  23  -2.883   2.890  -2.794
  172   HG12  VAL  23          2HG1      VAL  23  -2.872   1.131  -2.619
  173   HG13  VAL  23          3HG1      VAL  23  -2.090   1.881  -4.010
  174   HG21  VAL  23          3HG2      VAL  23  -0.410   2.695  -0.276
  175   HG22  VAL  23          1HG2      VAL  23  -1.701   1.484  -0.278
  176   HG23  VAL  23          2HG2      VAL  23  -2.062   3.149  -0.724
  177    H    VAL  24           H        VAL  24  -1.130   0.313  -4.523
  178    HA   VAL  24           HA       VAL  24  -3.227  -1.377  -3.784
  179    HB   VAL  24           HB       VAL  24  -1.914  -0.797  -6.418
  180   HG11  VAL  24          1HG1      VAL  24  -3.862  -1.968  -7.464
  181   HG12  VAL  24          2HG1      VAL  24  -4.315  -2.562  -5.862
  182   HG13  VAL  24          3HG1      VAL  24  -2.786  -3.058  -6.589
  183   HG21  VAL  24          3HG2      VAL  24  -4.545  -0.041  -5.153
  184   HG22  VAL  24          1HG2      VAL  24  -4.096   0.337  -6.820
  185   HG23  VAL  24          2HG2      VAL  24  -3.169   1.014  -5.481
  186    H    LYS  25           H        LYS  25  -0.032  -2.187  -5.103
  187    HA   LYS  25           HA       LYS  25  -0.517  -4.922  -5.408
  188    HB2  LYS  25           2HB      LYS  25   2.045  -3.472  -4.712
  189    HB3  LYS  25           1HB      LYS  25   1.961  -5.164  -5.180
  190    HG2  LYS  25           2HG      LYS  25   1.222  -4.605  -7.367
  191    HG3  LYS  25           1HG      LYS  25   1.001  -2.910  -6.920
  192    HD2  LYS  25           2HD      LYS  25   3.416  -2.726  -6.506
  193    HD3  LYS  25           1HD      LYS  25   3.620  -4.406  -7.006
  194    HE2  LYS  25           2HE      LYS  25   2.728  -3.836  -9.223
  195    HE3  LYS  25           1HE      LYS  25   2.582  -2.153  -8.718
  196    HZ1  LYS  25           3HZ      LYS  25   5.130  -3.676  -8.807
  197    HZ2  LYS  25           1HZ      LYS  25   4.957  -2.025  -8.452
  198    HZ3  LYS  25           2HZ      LYS  25   4.607  -2.600 -10.010
  199    H    ALA  26           H        ALA  26   0.428  -2.988  -2.609
  200    HA   ALA  26           HA       ALA  26   1.276  -5.365  -1.178
  201    HB1  ALA  26           1HB      ALA  26   1.907  -3.760   0.575
  202    HB2  ALA  26           2HB      ALA  26   1.184  -2.460  -0.378
  203    HB3  ALA  26           3HB      ALA  26   2.589  -3.330  -0.994
  204    H    LEU  27           H        LEU  27  -1.319  -3.041  -1.217
  205    HA   LEU  27           HA       LEU  27  -2.438  -4.001   1.218
  206    HB2  LEU  27           2HB      LEU  27  -3.418  -2.137  -0.915
  207    HB3  LEU  27           1HB      LEU  27  -4.331  -2.482   0.533
  208    HG   LEU  27           HG       LEU  27  -2.834  -0.326   0.288
  209   HD11  LEU  27          1HD1      LEU  27  -2.815  -2.004   2.760
  210   HD12  LEU  27          2HD1      LEU  27  -4.135  -0.951   2.253
  211   HD13  LEU  27          3HD1      LEU  27  -2.571  -0.260   2.688
  212   HD21  LEU  27          3HD2      LEU  27  -0.671  -0.547   1.189
  213   HD22  LEU  27          1HD2      LEU  27  -0.862  -1.554  -0.250
  214   HD23  LEU  27          2HD2      LEU  27  -0.903  -2.293   1.351
  215    H    LYS  28           H        LYS  28  -2.938  -4.562  -2.244
  216    HA   LYS  28           HA       LYS  28  -5.018  -6.347  -2.117
  217    HB2  LYS  28           2HB      LYS  28  -2.580  -6.339  -3.834
  218    HB3  LYS  28           1HB      LYS  28  -3.723  -7.632  -3.980
  219    HG2  LYS  28           2HG      LYS  28  -4.318  -4.708  -4.382
  220    HG3  LYS  28           1HG      LYS  28  -4.016  -5.888  -5.676
  221    HD2  LYS  28           2HD      LYS  28  -5.981  -6.476  -3.602
  222    HD3  LYS  28           1HD      LYS  28  -6.457  -5.345  -4.865
  223    HE2  LYS  28           2HE      LYS  28  -5.971  -7.042  -6.549
  224    HE3  LYS  28           1HE      LYS  28  -5.428  -8.155  -5.294
  225    HZ1  LYS  28           3HZ      LYS  28  -7.625  -8.245  -4.395
  226    HZ2  LYS  28           1HZ      LYS  28  -7.727  -8.568  -6.056
  227    HZ3  LYS  28           2HZ      LYS  28  -8.178  -7.047  -5.458
  228    H    GLN  29           H        GLN  29  -1.562  -6.973  -1.391
  229    HA   GLN  29           HA       GLN  29  -1.762  -9.680  -0.734
  230    HB2  GLN  29           2HB      GLN  29  -0.042  -7.407   0.025
  231    HB3  GLN  29           1HB      GLN  29  -0.016  -8.771   1.095
  232    HG2  GLN  29           2HG      GLN  29   1.772  -9.060  -0.310
  233    HG3  GLN  29           1HG      GLN  29   0.529 -10.133  -0.949
  234   HE21  GLN  29          1HE2      GLN  29   2.157  -7.086  -1.339
  235   HE22  GLN  29          2HE2      GLN  29   1.852  -6.920  -3.039
  236    H    THR  30           H        THR  30  -2.213  -6.796   1.208
  237    HA   THR  30           HA       THR  30  -2.621  -8.368   3.612
  238    HB   THR  30           HB       THR  30  -2.243  -6.178   4.690
  239    HG1  THR  30           1HG      THR  30  -1.398  -5.058   2.286
  240   HG21  THR  30          3HG2      THR  30  -0.347  -7.649   4.252
  241   HG22  THR  30          1HG2      THR  30   0.127  -5.961   4.034
  242   HG23  THR  30          2HG2      THR  30  -0.195  -6.980   2.626
  243    H    ASN  31           H        ASN  31  -4.613  -7.436   1.358
  244    HA   ASN  31           HA       ASN  31  -6.669  -6.564   1.086
  245    HB2  ASN  31           2HB      ASN  31  -6.928  -7.841   3.808
  246    HB3  ASN  31           1HB      ASN  31  -8.300  -7.112   2.979
  247   HD21  ASN  31          1HD2      ASN  31  -6.021  -9.733   3.004
  248   HD22  ASN  31          2HD2      ASN  31  -6.829 -10.705   1.822
  249    H    GLY  32           H        GLY  32  -4.970  -4.575   1.577
  250    HA2  GLY  32           2HA      GLY  32  -5.255  -2.352   1.825
  251    HA3  GLY  32           1HA      GLY  32  -6.858  -2.659   2.451
  252    H    ASN  33           H        ASN  33  -3.980  -3.952   4.241
  253    HA   ASN  33           HA       ASN  33  -4.383  -1.682   6.015
  254    HB2  ASN  33           2HB      ASN  33  -4.134  -2.978   7.858
  255    HB3  ASN  33           1HB      ASN  33  -4.904  -4.092   6.759
  256   HD21  ASN  33          1HD2      ASN  33  -2.547  -4.605   5.258
  257   HD22  ASN  33          2HD2      ASN  33  -1.567  -5.638   6.241
  258    H    ALA  34           H        ALA  34  -2.594  -0.597   6.937
  259    HA   ALA  34           HA       ALA  34  -0.782  -0.222   4.771
  260    HB1  ALA  34           1HB      ALA  34  -0.225   1.871   5.773
  261    HB2  ALA  34           2HB      ALA  34  -0.958   1.375   7.299
  262    HB3  ALA  34           3HB      ALA  34  -1.968   1.625   5.875
  263    H    GLU  35           H        GLU  35  -0.201  -1.293   8.108
  264    HA   GLU  35           HA       GLU  35   2.479  -0.830   8.057
  265    HB2  GLU  35           2HB      GLU  35   0.665  -1.656   9.831
  266    HB3  GLU  35           1HB      GLU  35   1.562  -3.122   9.569
  267    HG2  GLU  35           2HG      GLU  35   3.114  -0.737  10.003
  268    HG3  GLU  35           1HG      GLU  35   2.128  -1.223  11.350
  269    H    PHE  36           H        PHE  36   0.636  -3.553   7.587
  270    HA   PHE  36           HA       PHE  36   2.630  -5.368   6.803
  271    HB2  PHE  36           2HB      PHE  36  -0.337  -5.195   6.680
  272    HB3  PHE  36           1HB      PHE  36   0.446  -6.466   5.763
  273    HD1  PHE  36           1HD      PHE  36   0.796  -4.854   9.060
  274    HD2  PHE  36           2HD      PHE  36   0.582  -8.516   6.923
  275    HE1  PHE  36           1HE      PHE  36   1.039  -6.022  11.103
  276    HE2  PHE  36           2HE      PHE  36   0.821  -9.753   9.047
  277    HZ   PHE  36           HZ       PHE  36   1.052  -8.502  11.165
  278    H    ALA  37           H        ALA  37   0.985  -2.842   5.216
  279    HA   ALA  37           HA       ALA  37   1.206  -3.720   2.543
  280    HB1  ALA  37           1HB      ALA  37   0.774  -1.377   2.027
  281    HB2  ALA  37           2HB      ALA  37   1.067  -0.956   3.714
  282    HB3  ALA  37           3HB      ALA  37  -0.311  -1.970   3.284
  283    H    ALA  38           H        ALA  38   3.108  -1.444   4.420
  284    HA   ALA  38           HA       ALA  38   4.985  -0.820   2.489
  285    HB1  ALA  38           1HB      ALA  38   5.309  -0.873   5.482
  286    HB2  ALA  38           2HB      ALA  38   4.714   0.481   4.521
  287    HB3  ALA  38           3HB      ALA  38   6.383  -0.059   4.346
  288    H    SER  39           H        SER  39   4.865  -3.391   4.882
  289    HA   SER  39           HA       SER  39   7.572  -4.181   4.550
  290    HB2  SER  39           2HB      SER  39   5.223  -5.681   5.738
  291    HB3  SER  39           1HB      SER  39   6.928  -6.074   5.969
  292    HG   SER  39           HG       SER  39   7.057  -4.583   7.444
  293    H    LEU  40           H        LEU  40   4.522  -4.805   3.043
  294    HA   LEU  40           HA       LEU  40   5.451  -7.156   1.673
  295    HB2  LEU  40           2HB      LEU  40   2.990  -6.050   2.321
  296    HB3  LEU  40           1HB      LEU  40   3.145  -5.757   0.624
  297    HG   LEU  40           HG       LEU  40   2.042  -7.809   0.701
  298   HD11  LEU  40          1HD1      LEU  40   4.973  -8.483   0.527
  299   HD12  LEU  40          2HD1      LEU  40   3.940  -7.949  -0.801
  300   HD13  LEU  40          3HD1      LEU  40   3.652  -9.510  -0.030
  301   HD21  LEU  40          3HD2      LEU  40   2.282  -8.139   3.114
  302   HD22  LEU  40          1HD2      LEU  40   3.946  -8.670   2.874
  303   HD23  LEU  40          2HD2      LEU  40   2.614  -9.622   2.218
  304    H    LEU  41           H        LEU  41   4.789  -3.710   0.976
  305    HA   LEU  41           HA       LEU  41   5.237  -4.112  -1.790
  306    HB2  LEU  41           2HB      LEU  41   4.890  -1.827  -2.060
  307    HB3  LEU  41           1HB      LEU  41   3.808  -2.380  -0.798
  308    HG   LEU  41           HG       LEU  41   5.456  -1.466   0.854
  309   HD11  LEU  41          1HD1      LEU  41   7.013   0.180   0.063
  310   HD12  LEU  41          2HD1      LEU  41   6.559  -0.191  -1.603
  311   HD13  LEU  41          3HD1      LEU  41   7.343  -1.418  -0.606
  312   HD21  LEU  41          3HD2      LEU  41   4.666   0.825   0.534
  313   HD22  LEU  41          1HD2      LEU  41   3.388  -0.374   0.328
  314   HD23  LEU  41          2HD2      LEU  41   4.122   0.385  -1.086
  315    H    PHE  42           H        PHE  42   7.164  -3.496   0.927
  316    HA   PHE  42           HA       PHE  42   9.444  -2.366  -0.056
  317    HB2  PHE  42           2HB      PHE  42   8.662  -3.793   2.296
  318    HB3  PHE  42           1HB      PHE  42  10.304  -4.231   1.832
  319    HD1  PHE  42           1HD      PHE  42   8.024  -1.540   2.321
  320    HD2  PHE  42           2HD      PHE  42  12.080  -2.694   2.292
  321    HE1  PHE  42           1HE      PHE  42   8.636   0.649   3.131
  322    HE2  PHE  42           2HE      PHE  42  12.740  -0.475   3.156
  323    HZ   PHE  42           HZ       PHE  42  10.998   1.225   3.587
  324    H    GLN  43           H        GLN  43   8.100  -5.473  -0.730
  325    HA   GLN  43           HA       GLN  43  10.372  -7.043  -1.191
  326    HB2  GLN  43           2HB      GLN  43   8.975  -8.571  -2.182
  327    HB3  GLN  43           1HB      GLN  43   7.780  -7.593  -1.345
  328    HG2  GLN  43           2HG      GLN  43   8.205  -6.420  -3.884
  329    HG3  GLN  43           1HG      GLN  43   8.018  -8.156  -4.126
  330   HE21  GLN  43          1HE2      GLN  43   6.509  -5.227  -3.096
  331   HE22  GLN  43          2HE2      GLN  43   4.901  -5.843  -2.990
  332    H    SER  44           H        SER  44   9.164  -4.401  -2.915
  333    HA   SER  44           HA       SER  44  11.024  -4.912  -5.142
  334    HB2  SER  44           2HB      SER  44   8.608  -5.020  -5.805
  335    HB3  SER  44           1HB      SER  44   8.428  -3.348  -5.276
  336    HG   SER  44           HG       SER  44   9.702  -2.669  -6.919
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1 -17.633  -2.712   1.516
    2    H2   GLY   1           2HT      GLY   1 -18.057  -1.147   2.010
    3    H3   GLY   1           3HT      GLY   1 -18.358  -2.470   3.029
    4    HA2  GLY   1           1HA      GLY   1 -16.459  -1.344   3.869
    5    HA3  GLY   1           2HA      GLY   1 -15.944  -2.874   3.169
    6    H    SER   2           H        SER   2 -14.699  -2.897   1.323
    7    HA   SER   2           HA       SER   2 -13.162  -2.164  -0.162
    8    HB2  SER   2           2HB      SER   2 -14.942   0.285  -0.241
    9    HB3  SER   2           1HB      SER   2 -13.652  -0.068  -1.395
   10    HG   SER   2           HG       SER   2 -16.089  -0.806  -1.643
   11    H    ALA   3           H        ALA   3 -12.370   0.687  -0.506
   12    HA   ALA   3           HA       ALA   3 -10.696   2.040   0.213
   13    HB1  ALA   3           1HB      ALA   3 -11.746   1.359   2.962
   14    HB2  ALA   3           2HB      ALA   3 -12.289   2.694   1.945
   15    HB3  ALA   3           3HB      ALA   3 -10.642   2.679   2.579
   16    H    THR   4           H        THR   4  -9.789  -0.229  -0.604
   17    HA   THR   4           HA       THR   4  -8.182  -1.552   1.382
   18    HB   THR   4           HB       THR   4  -7.885  -2.208  -1.473
   19    HG1  THR   4           1HG      THR   4 -10.196  -3.141  -0.130
   20   HG21  THR   4          3HG2      THR   4  -8.343  -3.885   0.996
   21   HG22  THR   4          1HG2      THR   4  -6.789  -3.574   0.221
   22   HG23  THR   4          2HG2      THR   4  -8.024  -4.510  -0.623
   23    H    PHE   5           H        PHE   5  -7.937   0.645  -1.015
   24    HA   PHE   5           HA       PHE   5  -5.028   0.992  -0.816
   25    HB2  PHE   5           2HB      PHE   5  -6.798   1.310  -3.115
   26    HB3  PHE   5           1HB      PHE   5  -5.044   1.215  -3.202
   27    HD1  PHE   5           1HD      PHE   5  -4.566  -0.959  -1.511
   28    HD2  PHE   5           2HD      PHE   5  -7.624  -0.552  -4.372
   29    HE1  PHE   5           1HE      PHE   5  -4.725  -3.242  -1.616
   30    HE2  PHE   5           2HE      PHE   5  -7.802  -3.032  -4.463
   31    HZ   PHE   5           HZ       PHE   5  -6.292  -4.358  -2.969
   32    HA   PRO   6           HA       PRO   6  -7.742   5.011  -0.798
   33    HB2  PRO   6           2HB      PRO   6  -7.994   5.533   1.793
   34    HB3  PRO   6           1HB      PRO   6  -9.036   4.401   0.954
   35    HG2  PRO   6           2HG      PRO   6  -6.690   3.824   2.583
   36    HG3  PRO   6           1HG      PRO   6  -8.299   3.111   2.605
   37    HD2  PRO   6           2HD      PRO   6  -6.263   1.951   1.286
   38    HD3  PRO   6           1HD      PRO   6  -7.908   1.822   0.710
   39    H    GLU   7           H        GLU   7  -7.176   7.152  -0.125
   40    HA   GLU   7           HA       GLU   7  -4.585   7.886  -0.594
   41    HB2  GLU   7           2HB      GLU   7  -6.633   9.386   1.051
   42    HB3  GLU   7           1HB      GLU   7  -5.247  10.083   0.230
   43    HG2  GLU   7           2HG      GLU   7  -6.156   9.710  -1.890
   44    HG3  GLU   7           1HG      GLU   7  -7.351   8.575  -1.267
   45    H    GLN   8           H        GLN   8  -6.121   7.195   2.488
   46    HA   GLN   8           HA       GLN   8  -4.288   7.868   4.382
   47    HB2  GLN   8           2HB      GLN   8  -6.415   6.179   4.170
   48    HB3  GLN   8           1HB      GLN   8  -5.123   5.073   4.540
   49    HG2  GLN   8           2HG      GLN   8  -4.533   6.464   6.474
   50    HG3  GLN   8           1HG      GLN   8  -5.965   7.439   6.182
   51   HE21  GLN   8          1HE2      GLN   8  -7.570   5.123   5.363
   52   HE22  GLN   8          2HE2      GLN   8  -7.932   4.266   6.828
   53    H    THR   9           H        THR   9  -4.330   4.704   2.854
   54    HA   THR   9           HA       THR   9  -1.787   3.999   3.721
   55    HB   THR   9           HB       THR   9  -2.172   1.997   2.340
   56    HG1  THR   9           1HG      THR   9  -4.050   1.801   1.180
   57   HG21  THR   9          3HG2      THR   9  -2.978   2.059   4.646
   58   HG22  THR   9          1HG2      THR   9  -4.062   1.122   3.618
   59   HG23  THR   9          2HG2      THR   9  -4.495   2.766   4.086
   60    H    ILE  10           H        ILE  10  -3.211   5.296   0.970
   61    HA   ILE  10           HA       ILE  10  -1.299   4.921  -1.014
   62    HB   ILE  10           HB       ILE  10  -3.269   7.125  -0.482
   63   HG12  ILE  10          2HG1      ILE  10  -4.096   5.013  -1.410
   64   HG13  ILE  10          1HG1      ILE  10  -4.304   6.342  -2.543
   65   HG21  ILE  10          1HG2      ILE  10  -1.353   8.227  -1.446
   66   HG22  ILE  10          2HG2      ILE  10  -2.687   8.176  -2.595
   67   HG23  ILE  10          3HG2      ILE  10  -1.329   7.067  -2.773
   68   HD11  ILE  10          3HD1      ILE  10  -2.314   5.607  -3.746
   69   HD12  ILE  10          1HD1      ILE  10  -3.552   4.350  -3.673
   70   HD13  ILE  10          2HD1      ILE  10  -2.144   4.266  -2.610
   71    H    LYS  11           H        LYS  11  -1.744   7.663   1.116
   72    HA   LYS  11           HA       LYS  11   0.728   8.786   0.400
   73    HB2  LYS  11           2HB      LYS  11  -1.102   9.435   2.681
   74    HB3  LYS  11           1HB      LYS  11   0.247  10.433   2.155
   75    HG2  LYS  11           2HG      LYS  11  -0.796  10.780   0.013
   76    HG3  LYS  11           1HG      LYS  11  -2.112   9.679   0.446
   77    HD2  LYS  11           2HD      LYS  11  -2.969  11.862   0.768
   78    HD3  LYS  11           1HD      LYS  11  -2.581  11.270   2.383
   79    HE2  LYS  11           2HE      LYS  11  -0.747  13.016   0.747
   80    HE3  LYS  11           1HE      LYS  11  -1.900  13.641   1.922
   81    HZ1  LYS  11           3HZ      LYS  11  -0.746  12.306   3.633
   82    HZ2  LYS  11           1HZ      LYS  11   0.253  13.477   2.924
   83    HZ3  LYS  11           2HZ      LYS  11   0.410  11.853   2.479
   84    H    GLN  12           H        GLN  12  -0.225   6.548   2.915
   85    HA   GLN  12           HA       GLN  12   2.003   7.012   4.530
   86    HB2  GLN  12           2HB      GLN  12  -0.103   4.963   4.196
   87    HB3  GLN  12           1HB      GLN  12   1.300   4.549   5.117
   88    HG2  GLN  12           2HG      GLN  12  -0.686   6.703   5.652
   89    HG3  GLN  12           1HG      GLN  12  -0.303   5.306   6.653
   90   HE21  GLN  12          1HE2      GLN  12   0.642   8.484   5.687
   91   HE22  GLN  12          2HE2      GLN  12   1.864   8.724   6.886
   92    H    LEU  13           H        LEU  13   1.444   5.073   1.678
   93    HA   LEU  13           HA       LEU  13   3.940   3.669   2.060
   94    HB2  LEU  13           2HB      LEU  13   1.868   3.339  -0.071
   95    HB3  LEU  13           1HB      LEU  13   3.251   2.306   0.211
   96    HG   LEU  13           HG       LEU  13   0.917   2.734   1.991
   97   HD11  LEU  13          1HD1      LEU  13   0.618   0.311   1.732
   98   HD12  LEU  13          2HD1      LEU  13   2.000   0.274   0.635
   99   HD13  LEU  13          3HD1      LEU  13   0.539   1.158   0.186
  100   HD21  LEU  13          3HD2      LEU  13   2.872   2.666   3.385
  101   HD22  LEU  13          1HD2      LEU  13   3.434   1.202   2.573
  102   HD23  LEU  13          2HD2      LEU  13   1.968   1.161   3.556
  103    H    MET  14           H        MET  14   2.326   5.859  -0.222
  104    HA   MET  14           HA       MET  14   4.540   6.402  -1.800
  105    HB2  MET  14           2HB      MET  14   2.269   8.101  -0.803
  106    HB3  MET  14           1HB      MET  14   3.429   8.623  -2.013
  107    HG2  MET  14           2HG      MET  14   1.112   6.997  -2.322
  108    HG3  MET  14           1HG      MET  14   2.145   7.747  -3.480
  109    HE1  MET  14           3HE      MET  14   0.589   4.717  -2.654
  110    HE2  MET  14           1HE      MET  14   1.701   4.549  -1.299
  111    HE3  MET  14           2HE      MET  14   1.787   3.418  -2.652
  112    H    ASP  15           H        ASP  15   3.701   7.305   1.400
  113    HA   ASP  15           HA       ASP  15   5.634   9.233   1.987
  114    HB2  ASP  15           2HB      ASP  15   3.841   8.705   3.526
  115    HB3  ASP  15           1HB      ASP  15   4.459   7.073   3.747
  116    H    LEU  16           H        LEU  16   5.905   5.595   2.126
  117    HA   LEU  16           HA       LEU  16   8.572   5.475   2.770
  118    HB2  LEU  16           2HB      LEU  16   6.662   3.922   1.152
  119    HB3  LEU  16           1HB      LEU  16   8.318   3.472   1.194
  120    HG   LEU  16           HG       LEU  16   7.413   2.195   2.768
  121   HD11  LEU  16          1HD1      LEU  16   8.175   2.990   4.948
  122   HD12  LEU  16          2HD1      LEU  16   8.319   4.612   4.266
  123   HD13  LEU  16          3HD1      LEU  16   9.349   3.308   3.672
  124   HD21  LEU  16          3HD2      LEU  16   5.241   3.160   2.731
  125   HD22  LEU  16          1HD2      LEU  16   5.812   4.493   3.727
  126   HD23  LEU  16          2HD2      LEU  16   5.763   2.857   4.388
  127    H    GLY  17           H        GLY  17   6.971   6.294  -0.217
  128    HA2  GLY  17           2HA      GLY  17   8.167   7.840  -1.710
  129    HA3  GLY  17           1HA      GLY  17   9.589   6.834  -1.468
  130    H    PHE  18           H        PHE  18   6.578   5.192  -1.747
  131    HA   PHE  18           HA       PHE  18   7.561   3.953  -4.171
  132    HB2  PHE  18           2HB      PHE  18   5.391   3.345  -2.198
  133    HB3  PHE  18           1HB      PHE  18   5.718   2.321  -3.572
  134    HD1  PHE  18           2HD      PHE  18   8.656   2.468  -3.747
  135    HD2  PHE  18           1HD      PHE  18   6.014   2.188  -0.525
  136    HE1  PHE  18           2HE      PHE  18  10.433   1.443  -2.371
  137    HE2  PHE  18           1HE      PHE  18   7.674   1.218   0.827
  138    HZ   PHE  18           HZ       PHE  18   9.892   0.839  -0.044
  139    HA   PRO  19           HA       PRO  19   4.186   5.517  -6.728
  140    HB2  PRO  19           2HB      PRO  19   3.560   3.493  -8.280
  141    HB3  PRO  19           1HB      PRO  19   5.207   4.125  -8.321
  142    HG2  PRO  19           2HG      PRO  19   4.183   1.804  -6.755
  143    HG3  PRO  19           1HG      PRO  19   5.497   1.890  -7.928
  144    HD2  PRO  19           2HD      PRO  19   5.981   2.136  -5.281
  145    HD3  PRO  19           1HD      PRO  19   6.909   3.049  -6.491
  146    H    ARG  20           H        ARG  20   2.008   5.215  -7.214
  147    HA   ARG  20           HA       ARG  20   0.323   4.600  -5.040
  148    HB2  ARG  20           2HB      ARG  20  -0.334   6.237  -6.648
  149    HB3  ARG  20           1HB      ARG  20  -0.118   5.127  -7.977
  150    HG2  ARG  20           2HG      ARG  20  -2.016   3.848  -7.284
  151    HG3  ARG  20           1HG      ARG  20  -2.221   4.889  -5.881
  152    HD2  ARG  20           2HD      ARG  20  -2.504   6.814  -7.413
  153    HD3  ARG  20           1HD      ARG  20  -2.420   5.699  -8.771
  154    HE   ARG  20           HE       ARG  20  -4.454   4.839  -7.040
  155   HH11  ARG  20          1HH1      ARG  20  -3.696   7.469  -9.226
  156   HH12  ARG  20          2HH1      ARG  20  -5.364   7.822  -9.584
  157   HH21  ARG  20          1HH2      ARG  20  -6.655   5.295  -7.526
  158   HH22  ARG  20          2HH2      ARG  20  -7.034   6.566  -8.646
  159    H    ASP  21           H        ASP  21   1.156   2.975  -7.983
  160    HA   ASP  21           HA       ASP  21  -0.553   0.764  -7.840
  161    HB2  ASP  21           2HB      ASP  21   2.226   0.964  -9.022
  162    HB3  ASP  21           1HB      ASP  21   1.119  -0.379  -9.296
  163    H    ALA  22           H        ALA  22   2.310   1.533  -6.039
  164    HA   ALA  22           HA       ALA  22   2.889  -1.132  -5.181
  165    HB1  ALA  22           1HB      ALA  22   4.613   0.595  -5.155
  166    HB2  ALA  22           2HB      ALA  22   4.378  -0.102  -3.553
  167    HB3  ALA  22           3HB      ALA  22   3.709   1.485  -3.929
  168    H    VAL  23           H        VAL  23   0.851   1.504  -3.956
  169    HA   VAL  23           HA       VAL  23   0.209   0.298  -1.487
  170    HB   VAL  23           HB       VAL  23  -0.512   2.663  -2.722
  171   HG11  VAL  23          1HG1      VAL  23  -2.983   2.665  -2.708
  172   HG12  VAL  23          2HG1      VAL  23  -2.922   0.904  -2.542
  173   HG13  VAL  23          3HG1      VAL  23  -2.253   1.676  -3.983
  174   HG21  VAL  23          3HG2      VAL  23  -2.222   2.663  -0.675
  175   HG22  VAL  23          1HG2      VAL  23  -0.468   2.885  -0.489
  176   HG23  VAL  23          2HG2      VAL  23  -1.204   1.297  -0.224
  177    H    VAL  24           H        VAL  24  -1.151   0.189  -4.653
  178    HA   VAL  24           HA       VAL  24  -3.274  -1.479  -3.951
  179    HB   VAL  24           HB       VAL  24  -2.018  -0.749  -6.562
  180   HG11  VAL  24          1HG1      VAL  24  -3.950  -1.899  -7.667
  181   HG12  VAL  24          2HG1      VAL  24  -4.344  -2.632  -6.107
  182   HG13  VAL  24          3HG1      VAL  24  -2.815  -3.012  -6.899
  183   HG21  VAL  24          3HG2      VAL  24  -4.652  -0.174  -5.215
  184   HG22  VAL  24          1HG2      VAL  24  -4.253   0.324  -6.862
  185   HG23  VAL  24          2HG2      VAL  24  -3.323   0.950  -5.501
  186    H    LYS  25           H        LYS  25  -0.120  -2.365  -5.385
  187    HA   LYS  25           HA       LYS  25  -0.717  -5.093  -5.681
  188    HB2  LYS  25           2HB      LYS  25   1.903  -3.721  -5.079
  189    HB3  LYS  25           1HB      LYS  25   1.761  -5.425  -5.482
  190    HG2  LYS  25           2HG      LYS  25   0.971  -4.908  -7.676
  191    HG3  LYS  25           1HG      LYS  25   0.861  -3.190  -7.280
  192    HD2  LYS  25           2HD      LYS  25   3.250  -3.074  -6.977
  193    HD3  LYS  25           1HD      LYS  25   3.403  -4.809  -7.270
  194    HE2  LYS  25           2HE      LYS  25   2.495  -4.463  -9.540
  195    HE3  LYS  25           1HE      LYS  25   2.460  -2.728  -9.239
  196    HZ1  LYS  25           3HZ      LYS  25   4.428  -3.343 -10.460
  197    HZ2  LYS  25           1HZ      LYS  25   4.881  -4.449  -9.256
  198    HZ3  LYS  25           2HZ      LYS  25   4.865  -2.789  -8.916
  199    H    ALA  26           H        ALA  26   0.430  -3.202  -2.945
  200    HA   ALA  26           HA       ALA  26   1.088  -5.610  -1.475
  201    HB1  ALA  26           1HB      ALA  26   1.882  -4.074   0.257
  202    HB2  ALA  26           2HB      ALA  26   1.227  -2.711  -0.655
  203    HB3  ALA  26           3HB      ALA  26   2.553  -3.661  -1.323
  204    H    LEU  27           H        LEU  27  -1.279  -3.011  -1.364
  205    HA   LEU  27           HA       LEU  27  -2.462  -3.954   1.032
  206    HB2  LEU  27           2HB      LEU  27  -3.323  -2.025  -1.089
  207    HB3  LEU  27           1HB      LEU  27  -4.307  -2.366   0.311
  208    HG   LEU  27           HG       LEU  27  -2.789  -0.265   0.229
  209   HD11  LEU  27          1HD1      LEU  27  -2.474  -0.352   2.624
  210   HD12  LEU  27          2HD1      LEU  27  -2.749  -2.094   2.586
  211   HD13  LEU  27          3HD1      LEU  27  -4.056  -0.987   2.171
  212   HD21  LEU  27          3HD2      LEU  27  -0.845  -2.295   1.145
  213   HD22  LEU  27          1HD2      LEU  27  -0.608  -0.545   1.115
  214   HD23  LEU  27          2HD2      LEU  27  -0.798  -1.445  -0.396
  215    H    LYS  28           H        LYS  28  -2.935  -4.517  -2.405
  216    HA   LYS  28           HA       LYS  28  -5.257  -6.013  -2.311
  217    HB2  LYS  28           2HB      LYS  28  -2.948  -5.887  -4.091
  218    HB3  LYS  28           1HB      LYS  28  -3.768  -7.444  -4.083
  219    HG2  LYS  28           2HG      LYS  28  -5.799  -6.502  -4.773
  220    HG3  LYS  28           1HG      LYS  28  -5.250  -4.862  -4.406
  221    HD2  LYS  28           2HD      LYS  28  -3.623  -4.986  -6.159
  222    HD3  LYS  28           1HD      LYS  28  -4.098  -6.644  -6.541
  223    HE2  LYS  28           2HE      LYS  28  -5.820  -4.174  -6.780
  224    HE3  LYS  28           1HE      LYS  28  -5.133  -5.102  -8.112
  225    HZ1  LYS  28           3HZ      LYS  28  -6.469  -7.008  -7.400
  226    HZ2  LYS  28           1HZ      LYS  28  -7.444  -5.674  -7.778
  227    HZ3  LYS  28           2HZ      LYS  28  -7.154  -6.080  -6.160
  228    H    GLN  29           H        GLN  29  -1.877  -7.180  -1.763
  229    HA   GLN  29           HA       GLN  29  -2.884  -9.816  -1.277
  230    HB2  GLN  29           2HB      GLN  29  -0.558 -10.309  -0.806
  231    HB3  GLN  29           1HB      GLN  29  -0.768  -9.458  -2.287
  232    HG2  GLN  29           2HG      GLN  29  -0.193  -7.376  -0.900
  233    HG3  GLN  29           1HG      GLN  29   0.493  -8.567   0.198
  234   HE21  GLN  29          1HE2      GLN  29   1.766  -6.527  -1.518
  235   HE22  GLN  29          2HE2      GLN  29   2.886  -7.389  -2.502
  236    H    THR  30           H        THR  30  -1.973  -7.115   0.687
  237    HA   THR  30           HA       THR  30  -2.192  -8.559   3.172
  238    HB   THR  30           HB       THR  30  -1.927  -6.308   4.174
  239    HG1  THR  30           1HG      THR  30  -1.368  -5.285   1.628
  240   HG21  THR  30          3HG2      THR  30   0.023  -7.707   3.645
  241   HG22  THR  30          1HG2      THR  30   0.388  -5.993   3.441
  242   HG23  THR  30          2HG2      THR  30   0.074  -7.003   2.026
  243    H    ASN  31           H        ASN  31  -4.368  -7.182   1.062
  244    HA   ASN  31           HA       ASN  31  -6.519  -6.561   1.092
  245    HB2  ASN  31           2HB      ASN  31  -6.463  -8.083   3.690
  246    HB3  ASN  31           1HB      ASN  31  -7.918  -7.260   3.142
  247   HD21  ASN  31          1HD2      ASN  31  -5.749  -9.902   2.604
  248   HD22  ASN  31          2HD2      ASN  31  -6.728 -10.733   1.442
  249    H    GLY  32           H        GLY  32  -4.922  -4.503   1.501
  250    HA2  GLY  32           2HA      GLY  32  -5.433  -2.331   1.825
  251    HA3  GLY  32           1HA      GLY  32  -6.873  -2.811   2.706
  252    H    ASN  33           H        ASN  33  -4.329  -4.285   4.400
  253    HA   ASN  33           HA       ASN  33  -4.230  -1.992   6.136
  254    HB2  ASN  33           2HB      ASN  33  -3.665  -3.374   7.881
  255    HB3  ASN  33           1HB      ASN  33  -4.774  -4.326   6.944
  256   HD21  ASN  33          1HD2      ASN  33  -2.687  -4.961   4.981
  257   HD22  ASN  33          2HD2      ASN  33  -1.731  -6.194   5.737
  258    H    ALA  34           H        ALA  34  -2.629  -0.678   6.415
  259    HA   ALA  34           HA       ALA  34  -0.876  -0.504   4.237
  260    HB1  ALA  34           1HB      ALA  34  -0.868   1.196   6.711
  261    HB2  ALA  34           2HB      ALA  34  -1.939   1.418   5.326
  262    HB3  ALA  34           3HB      ALA  34  -0.197   1.612   5.133
  263    H    GLU  35           H        GLU  35   0.013  -0.890   7.695
  264    HA   GLU  35           HA       GLU  35   2.620  -0.525   7.335
  265    HB2  GLU  35           2HB      GLU  35   0.943  -1.730   9.375
  266    HB3  GLU  35           1HB      GLU  35   2.660  -1.990   9.485
  267    HG2  GLU  35           2HG      GLU  35   1.425   0.675   9.180
  268    HG3  GLU  35           1HG      GLU  35   1.732  -0.072  10.720
  269    H    PHE  36           H        PHE  36   0.837  -3.406   7.275
  270    HA   PHE  36           HA       PHE  36   2.990  -5.185   7.104
  271    HB2  PHE  36           2HB      PHE  36   0.023  -5.279   6.701
  272    HB3  PHE  36           1HB      PHE  36   1.015  -6.652   6.324
  273    HD1  PHE  36           1HD      PHE  36   1.208  -4.194   9.038
  274    HD2  PHE  36           2HD      PHE  36   0.649  -8.271   7.995
  275    HE1  PHE  36           1HE      PHE  36   1.213  -4.745  11.338
  276    HE2  PHE  36           2HE      PHE  36   0.638  -8.866  10.391
  277    HZ   PHE  36           HZ       PHE  36   0.924  -7.093  12.088
  278    H    ALA  37           H        ALA  37   0.933  -3.493   4.848
  279    HA   ALA  37           HA       ALA  37   1.606  -5.034   2.569
  280    HB1  ALA  37           1HB      ALA  37   0.514  -3.252   1.355
  281    HB2  ALA  37           2HB      ALA  37   0.538  -2.242   2.800
  282    HB3  ALA  37           3HB      ALA  37  -0.426  -3.720   2.770
  283    H    ALA  38           H        ALA  38   2.752  -1.974   3.877
  284    HA   ALA  38           HA       ALA  38   4.557  -1.291   1.881
  285    HB1  ALA  38           1HB      ALA  38   4.819  -0.781   4.837
  286    HB2  ALA  38           2HB      ALA  38   3.916   0.219   3.700
  287    HB3  ALA  38           3HB      ALA  38   5.666   0.073   3.550
  288    H    SER  39           H        SER  39   4.870  -3.406   4.665
  289    HA   SER  39           HA       SER  39   7.719  -3.595   4.454
  290    HB2  SER  39           2HB      SER  39   5.740  -5.253   6.044
  291    HB3  SER  39           1HB      SER  39   7.490  -5.242   6.271
  292    HG   SER  39           HG       SER  39   5.661  -3.108   6.713
  293    H    LEU  40           H        LEU  40   4.928  -5.094   3.222
  294    HA   LEU  40           HA       LEU  40   6.223  -7.476   2.316
  295    HB2  LEU  40           2HB      LEU  40   3.772  -6.983   3.058
  296    HB3  LEU  40           1HB      LEU  40   3.593  -6.429   1.415
  297    HG   LEU  40           HG       LEU  40   4.469  -9.203   2.248
  298   HD11  LEU  40          1HD1      LEU  40   1.829  -8.282   1.142
  299   HD12  LEU  40          2HD1      LEU  40   2.144  -8.713   2.822
  300   HD13  LEU  40          3HD1      LEU  40   2.275  -9.938   1.559
  301   HD21  LEU  40          3HD2      LEU  40   5.372  -8.504   0.088
  302   HD22  LEU  40          1HD2      LEU  40   3.739  -8.143  -0.474
  303   HD23  LEU  40          2HD2      LEU  40   4.188  -9.804  -0.081
  304    H    LEU  41           H        LEU  41   5.074  -4.348   1.005
  305    HA   LEU  41           HA       LEU  41   5.649  -5.085  -1.658
  306    HB2  LEU  41           2HB      LEU  41   5.062  -2.916  -2.266
  307    HB3  LEU  41           1HB      LEU  41   4.027  -3.362  -0.925
  308    HG   LEU  41           HG       LEU  41   5.594  -2.053   0.548
  309   HD11  LEU  41          1HD1      LEU  41   6.960  -0.396  -0.513
  310   HD12  LEU  41          2HD1      LEU  41   6.505  -1.024  -2.101
  311   HD13  LEU  41          3HD1      LEU  41   7.435  -2.028  -0.985
  312   HD21  LEU  41          3HD2      LEU  41   3.401  -1.284  -0.089
  313   HD22  LEU  41          1HD2      LEU  41   4.045  -0.654  -1.605
  314   HD23  LEU  41          2HD2      LEU  41   4.542   0.063  -0.071
  315    H    PHE  42           H        PHE  42   7.401  -3.912   0.977
  316    HA   PHE  42           HA       PHE  42   9.674  -2.816  -0.059
  317    HB2  PHE  42           2HB      PHE  42   8.836  -3.962   2.423
  318    HB3  PHE  42           1HB      PHE  42  10.520  -4.366   2.100
  319    HD1  PHE  42           1HD      PHE  42   8.088  -1.761   2.092
  320    HD2  PHE  42           2HD      PHE  42  12.184  -2.693   2.488
  321    HE1  PHE  42           1HE      PHE  42   8.540   0.543   2.637
  322    HE2  PHE  42           2HE      PHE  42  12.680  -0.348   3.082
  323    HZ   PHE  42           HZ       PHE  42  10.837   1.300   3.162
  324    H    GLN  43           H        GLN  43   8.497  -5.988  -0.484
  325    HA   GLN  43           HA       GLN  43  10.801  -7.555  -0.543
  326    HB2  GLN  43           2HB      GLN  43   9.552  -9.163  -1.689
  327    HB3  GLN  43           1HB      GLN  43   8.329  -8.243  -0.826
  328    HG2  GLN  43           2HG      GLN  43   8.556  -6.927  -3.247
  329    HG3  GLN  43           1HG      GLN  43   8.705  -8.629  -3.676
  330   HE21  GLN  43          1HE2      GLN  43   6.642  -6.144  -2.524
  331   HE22  GLN  43          2HE2      GLN  43   5.177  -7.055  -2.473
  332    H    SER  44           H        SER  44   9.707  -5.181  -2.714
  333    HA   SER  44           HA       SER  44  11.741  -5.922  -4.704
  334    HB2  SER  44           2HB      SER  44   9.398  -4.030  -5.009
  335    HB3  SER  44           1HB      SER  44  10.493  -4.549  -6.289
  336    HG   SER  44           HG       SER  44   9.727  -6.781  -5.512
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1 -11.691  -7.228   1.654
    2    H2   GLY   1           2HT      GLY   1 -13.071  -6.445   2.260
    3    H3   GLY   1           3HT      GLY   1 -11.528  -5.966   2.777
    4    HA2  GLY   1           1HA      GLY   1 -10.982  -5.167   0.588
    5    HA3  GLY   1           2HA      GLY   1 -12.537  -5.734  -0.001
    6    H    SER   2           H        SER   2 -11.356  -3.778   2.743
    7    HA   SER   2           HA       SER   2 -13.018  -1.561   1.822
    8    HB2  SER   2           2HB      SER   2 -13.161  -2.675   4.637
    9    HB3  SER   2           1HB      SER   2 -13.972  -1.216   4.065
   10    HG   SER   2           HG       SER   2 -14.606  -3.164   2.394
   11    H    ALA   3           H        ALA   3 -12.039   0.350   2.056
   12    HA   ALA   3           HA       ALA   3 -10.333   1.831   2.349
   13    HB1  ALA   3           1HB      ALA   3  -9.460   2.097   4.603
   14    HB2  ALA   3           2HB      ALA   3 -10.089   0.512   5.055
   15    HB3  ALA   3           3HB      ALA   3 -11.201   1.819   4.649
   16    H    THR   4           H        THR   4  -9.501  -0.009   0.741
   17    HA   THR   4           HA       THR   4  -7.248  -1.429   1.799
   18    HB   THR   4           HB       THR   4  -7.154  -2.343  -0.590
   19    HG1  THR   4           1HG      THR   4  -9.738  -2.050  -1.076
   20   HG21  THR   4          3HG2      THR   4  -9.541  -2.922   1.172
   21   HG22  THR   4          1HG2      THR   4  -7.945  -3.659   1.317
   22   HG23  THR   4          2HG2      THR   4  -8.930  -3.965  -0.114
   23    H    PHE   5           H        PHE   5  -7.805   0.426  -0.891
   24    HA   PHE   5           HA       PHE   5  -5.034   1.359  -1.048
   25    HB2  PHE   5           2HB      PHE   5  -7.136   1.436  -3.060
   26    HB3  PHE   5           1HB      PHE   5  -5.405   1.423  -3.380
   27    HD1  PHE   5           1HD      PHE   5  -4.616  -0.701  -1.681
   28    HD2  PHE   5           2HD      PHE   5  -7.994  -0.463  -4.196
   29    HE1  PHE   5           1HE      PHE   5  -4.677  -2.977  -1.770
   30    HE2  PHE   5           2HE      PHE   5  -8.054  -2.945  -4.266
   31    HZ   PHE   5           HZ       PHE   5  -6.322  -4.184  -2.962
   32    HA   PRO   6           HA       PRO   6  -7.859   5.247  -0.858
   33    HB2  PRO   6           2HB      PRO   6  -8.005   5.811   1.737
   34    HB3  PRO   6           1HB      PRO   6  -9.133   4.725   0.944
   35    HG2  PRO   6           2HG      PRO   6  -6.776   4.049   2.516
   36    HG3  PRO   6           1HG      PRO   6  -8.414   3.407   2.577
   37    HD2  PRO   6           2HD      PRO   6  -6.455   2.162   1.216
   38    HD3  PRO   6           1HD      PRO   6  -8.117   2.088   0.694
   39    H    GLU   7           H        GLU   7  -7.152   7.339  -0.169
   40    HA   GLU   7           HA       GLU   7  -4.488   7.814  -0.692
   41    HB2  GLU   7           2HB      GLU   7  -6.401   9.614   0.801
   42    HB3  GLU   7           1HB      GLU   7  -4.951  10.108  -0.051
   43    HG2  GLU   7           2HG      GLU   7  -7.426   8.937  -1.278
   44    HG3  GLU   7           1HG      GLU   7  -6.904  10.618  -1.364
   45    H    GLN   8           H        GLN   8  -6.043   7.156   2.383
   46    HA   GLN   8           HA       GLN   8  -4.055   7.938   4.138
   47    HB2  GLN   8           2HB      GLN   8  -6.104   7.010   4.977
   48    HB3  GLN   8           1HB      GLN   8  -5.806   5.485   4.161
   49    HG2  GLN   8           2HG      GLN   8  -3.997   4.969   5.617
   50    HG3  GLN   8           1HG      GLN   8  -4.068   6.566   6.335
   51   HE21  GLN   8          1HE2      GLN   8  -6.937   4.731   5.580
   52   HE22  GLN   8          2HE2      GLN   8  -7.391   4.398   7.215
   53    H    THR   9           H        THR   9  -4.347   4.653   2.797
   54    HA   THR   9           HA       THR   9  -1.815   3.857   3.566
   55    HB   THR   9           HB       THR   9  -2.281   1.913   2.100
   56    HG1  THR   9           1HG      THR   9  -4.380   1.820   1.161
   57   HG21  THR   9          3HG2      THR   9  -4.143   1.047   3.425
   58   HG22  THR   9          1HG2      THR   9  -4.505   2.686   3.966
   59   HG23  THR   9          2HG2      THR   9  -2.990   1.918   4.439
   60    H    ILE  10           H        ILE  10  -3.160   5.036   0.660
   61    HA   ILE  10           HA       ILE  10  -1.139   4.869  -1.152
   62    HB   ILE  10           HB       ILE  10  -3.146   7.046  -0.633
   63   HG12  ILE  10          2HG1      ILE  10  -3.885   4.842  -1.558
   64   HG13  ILE  10          1HG1      ILE  10  -4.260   6.223  -2.581
   65   HG21  ILE  10          1HG2      ILE  10  -1.196   6.943  -2.910
   66   HG22  ILE  10          2HG2      ILE  10  -1.210   8.117  -1.596
   67   HG23  ILE  10          3HG2      ILE  10  -2.542   8.070  -2.751
   68   HD11  ILE  10          3HD1      ILE  10  -3.461   4.327  -3.868
   69   HD12  ILE  10          1HD1      ILE  10  -1.959   4.335  -2.945
   70   HD13  ILE  10          2HD1      ILE  10  -2.359   5.700  -3.990
   71    H    LYS  11           H        LYS  11  -1.718   7.545   1.085
   72    HA   LYS  11           HA       LYS  11   0.701   8.767   0.315
   73    HB2  LYS  11           2HB      LYS  11  -1.198   9.402   2.535
   74    HB3  LYS  11           1HB      LYS  11   0.198  10.395   2.129
   75    HG2  LYS  11           2HG      LYS  11  -0.663  10.822  -0.057
   76    HG3  LYS  11           1HG      LYS  11  -1.982   9.668   0.186
   77    HD2  LYS  11           2HD      LYS  11  -2.796  11.944   0.441
   78    HD3  LYS  11           1HD      LYS  11  -2.851  11.113   1.995
   79    HE2  LYS  11           2HE      LYS  11  -2.015  13.408   2.212
   80    HE3  LYS  11           1HE      LYS  11  -0.801  12.221   2.687
   81    HZ1  LYS  11           3HZ      LYS  11   0.368  12.548   0.678
   82    HZ2  LYS  11           1HZ      LYS  11   0.019  14.094   1.277
   83    HZ3  LYS  11           2HZ      LYS  11  -0.888  13.456  -0.011
   84    H    GLN  12           H        GLN  12  -0.111   6.668   3.032
   85    HA   GLN  12           HA       GLN  12   2.190   7.051   4.485
   86    HB2  GLN  12           2HB      GLN  12  -0.049   5.207   4.208
   87    HB3  GLN  12           1HB      GLN  12   1.415   4.437   4.778
   88    HG2  GLN  12           2HG      GLN  12   0.171   5.155   6.669
   89    HG3  GLN  12           1HG      GLN  12   1.591   6.167   6.489
   90   HE21  GLN  12          1HE2      GLN  12   1.409   8.298   5.952
   91   HE22  GLN  12          2HE2      GLN  12  -0.101   9.137   6.001
   92    H    LEU  13           H        LEU  13   1.569   5.127   1.622
   93    HA   LEU  13           HA       LEU  13   4.104   3.777   1.880
   94    HB2  LEU  13           2HB      LEU  13   1.906   3.464  -0.135
   95    HB3  LEU  13           1HB      LEU  13   3.300   2.427   0.052
   96    HG   LEU  13           HG       LEU  13   1.160   2.884   2.073
   97   HD11  LEU  13          1HD1      LEU  13   0.598   0.539   1.725
   98   HD12  LEU  13          2HD1      LEU  13   1.856   0.422   0.492
   99   HD13  LEU  13          3HD1      LEU  13   0.455   1.459   0.226
  100   HD21  LEU  13          3HD2      LEU  13   3.591   1.120   2.227
  101   HD22  LEU  13          1HD2      LEU  13   2.276   1.150   3.401
  102   HD23  LEU  13          2HD2      LEU  13   3.286   2.577   3.175
  103    H    MET  14           H        MET  14   2.368   5.925  -0.356
  104    HA   MET  14           HA       MET  14   4.478   6.553  -2.033
  105    HB2  MET  14           2HB      MET  14   2.230   8.177  -0.863
  106    HB3  MET  14           1HB      MET  14   3.299   8.771  -2.122
  107    HG2  MET  14           2HG      MET  14   1.019   7.069  -2.333
  108    HG3  MET  14           1HG      MET  14   1.936   7.900  -3.540
  109    HE1  MET  14           3HE      MET  14   0.566   4.780  -2.701
  110    HE2  MET  14           1HE      MET  14   1.778   4.607  -1.435
  111    HE3  MET  14           2HE      MET  14   1.807   3.533  -2.833
  112    H    ASP  15           H        ASP  15   3.740   7.472   1.202
  113    HA   ASP  15           HA       ASP  15   5.657   9.427   1.698
  114    HB2  ASP  15           2HB      ASP  15   3.896   8.953   3.268
  115    HB3  ASP  15           1HB      ASP  15   4.482   7.314   3.505
  116    H    LEU  16           H        LEU  16   5.995   5.817   1.678
  117    HA   LEU  16           HA       LEU  16   8.697   6.024   2.594
  118    HB2  LEU  16           2HB      LEU  16   7.575   3.792   0.966
  119    HB3  LEU  16           1HB      LEU  16   8.793   3.736   2.210
  120    HG   LEU  16           HG       LEU  16   5.934   4.361   2.726
  121   HD11  LEU  16          1HD1      LEU  16   6.015   2.197   1.830
  122   HD12  LEU  16          2HD1      LEU  16   5.758   2.077   3.569
  123   HD13  LEU  16          3HD1      LEU  16   7.352   1.748   2.888
  124   HD21  LEU  16          3HD2      LEU  16   7.475   5.184   4.431
  125   HD22  LEU  16          1HD2      LEU  16   8.165   3.568   4.579
  126   HD23  LEU  16          2HD2      LEU  16   6.491   3.858   5.050
  127    H    GLY  17           H        GLY  17   7.219   6.860  -0.280
  128    HA2  GLY  17           2HA      GLY  17   8.472   8.015  -1.961
  129    HA3  GLY  17           1HA      GLY  17   9.820   6.934  -1.646
  130    H    PHE  18           H        PHE  18   6.579   5.667  -1.952
  131    HA   PHE  18           HA       PHE  18   7.484   4.215  -4.307
  132    HB2  PHE  18           2HB      PHE  18   5.335   3.739  -2.279
  133    HB3  PHE  18           1HB      PHE  18   5.638   2.656  -3.613
  134    HD1  PHE  18           2HD      PHE  18   8.490   2.521  -3.879
  135    HD2  PHE  18           1HD      PHE  18   6.037   2.868  -0.513
  136    HE1  PHE  18           2HE      PHE  18  10.279   1.555  -2.472
  137    HE2  PHE  18           1HE      PHE  18   7.711   1.994   0.866
  138    HZ   PHE  18           HZ       PHE  18   9.838   1.315  -0.058
  139    HA   PRO  19           HA       PRO  19   4.070   5.779  -6.836
  140    HB2  PRO  19           2HB      PRO  19   3.546   3.737  -8.391
  141    HB3  PRO  19           1HB      PRO  19   5.175   4.415  -8.412
  142    HG2  PRO  19           2HG      PRO  19   4.191   2.077  -6.848
  143    HG3  PRO  19           1HG      PRO  19   5.517   2.189  -8.005
  144    HD2  PRO  19           2HD      PRO  19   5.953   2.470  -5.340
  145    HD3  PRO  19           1HD      PRO  19   6.885   3.379  -6.555
  146    H    ARG  20           H        ARG  20   1.879   5.412  -7.280
  147    HA   ARG  20           HA       ARG  20   0.277   4.632  -5.099
  148    HB2  ARG  20           2HB      ARG  20  -0.504   6.294  -6.645
  149    HB3  ARG  20           1HB      ARG  20  -0.344   5.197  -7.998
  150    HG2  ARG  20           2HG      ARG  20  -2.132   3.872  -7.258
  151    HG3  ARG  20           1HG      ARG  20  -2.215   4.736  -5.734
  152    HD2  ARG  20           2HD      ARG  20  -2.661   6.814  -7.180
  153    HD3  ARG  20           1HD      ARG  20  -2.998   5.666  -8.473
  154    HE   ARG  20           HE       ARG  20  -4.476   5.714  -5.915
  155   HH11  ARG  20          1HH1      ARG  20  -4.394   5.388  -9.405
  156   HH12  ARG  20          2HH1      ARG  20  -6.094   5.038  -9.534
  157   HH21  ARG  20          1HH2      ARG  20  -6.683   5.250  -6.075
  158   HH22  ARG  20          2HH2      ARG  20  -7.390   4.934  -7.635
  159    H    ASP  21           H        ASP  21   1.179   3.176  -8.083
  160    HA   ASP  21           HA       ASP  21  -0.325   0.860  -8.166
  161    HB2  ASP  21           2HB      ASP  21   2.610   1.032  -8.883
  162    HB3  ASP  21           1HB      ASP  21   1.410  -0.060  -9.565
  163    H    ALA  22           H        ALA  22   2.457   1.654  -6.182
  164    HA   ALA  22           HA       ALA  22   3.000  -0.992  -5.301
  165    HB1  ALA  22           1HB      ALA  22   4.432   0.031  -3.636
  166    HB2  ALA  22           2HB      ALA  22   3.731   1.613  -3.976
  167    HB3  ALA  22           3HB      ALA  22   4.683   0.787  -5.209
  168    H    VAL  23           H        VAL  23   0.830   1.568  -4.174
  169    HA   VAL  23           HA       VAL  23   0.196   0.362  -1.696
  170    HB   VAL  23           HB       VAL  23  -0.566   2.712  -2.966
  171   HG11  VAL  23          1HG1      VAL  23  -3.028   2.690  -2.875
  172   HG12  VAL  23          2HG1      VAL  23  -2.953   0.936  -2.646
  173   HG13  VAL  23          3HG1      VAL  23  -2.345   1.655  -4.139
  174   HG21  VAL  23          3HG2      VAL  23  -0.403   2.920  -0.722
  175   HG22  VAL  23          1HG2      VAL  23  -1.212   1.369  -0.427
  176   HG23  VAL  23          2HG2      VAL  23  -2.170   2.778  -0.871
  177    H    VAL  24           H        VAL  24  -1.184   0.241  -4.869
  178    HA   VAL  24           HA       VAL  24  -3.252  -1.475  -4.164
  179    HB   VAL  24           HB       VAL  24  -1.969  -0.801  -6.779
  180   HG11  VAL  24          1HG1      VAL  24  -3.785  -2.056  -7.906
  181   HG12  VAL  24          2HG1      VAL  24  -4.309  -2.677  -6.338
  182   HG13  VAL  24          3HG1      VAL  24  -2.728  -3.126  -6.981
  183   HG21  VAL  24          3HG2      VAL  24  -4.282   0.164  -7.125
  184   HG22  VAL  24          1HG2      VAL  24  -3.309   0.918  -5.859
  185   HG23  VAL  24          2HG2      VAL  24  -4.592  -0.213  -5.426
  186    H    LYS  25           H        LYS  25  -0.064  -2.305  -5.531
  187    HA   LYS  25           HA       LYS  25  -0.603  -5.045  -5.820
  188    HB2  LYS  25           2HB      LYS  25   2.014  -3.694  -5.214
  189    HB3  LYS  25           1HB      LYS  25   1.865  -5.341  -5.751
  190    HG2  LYS  25           2HG      LYS  25   0.945  -2.962  -7.332
  191    HG3  LYS  25           1HG      LYS  25   2.540  -3.709  -7.500
  192    HD2  LYS  25           2HD      LYS  25   0.076  -5.330  -7.640
  193    HD3  LYS  25           1HD      LYS  25   0.623  -4.455  -9.074
  194    HE2  LYS  25           2HE      LYS  25   2.813  -5.604  -8.852
  195    HE3  LYS  25           1HE      LYS  25   2.165  -6.521  -7.494
  196    HZ1  LYS  25           3HZ      LYS  25   0.491  -7.452  -8.984
  197    HZ2  LYS  25           1HZ      LYS  25   2.061  -7.808  -9.519
  198    HZ3  LYS  25           2HZ      LYS  25   1.157  -6.599 -10.289
  199    H    ALA  26           H        ALA  26   0.492  -3.135  -3.073
  200    HA   ALA  26           HA       ALA  26   1.145  -5.512  -1.558
  201    HB1  ALA  26           1HB      ALA  26   2.567  -3.555  -1.353
  202    HB2  ALA  26           2HB      ALA  26   1.787  -3.900   0.192
  203    HB3  ALA  26           3HB      ALA  26   1.189  -2.588  -0.827
  204    H    LEU  27           H        LEU  27  -1.239  -2.927  -1.547
  205    HA   LEU  27           HA       LEU  27  -2.473  -3.828   0.837
  206    HB2  LEU  27           2HB      LEU  27  -3.303  -1.897  -1.301
  207    HB3  LEU  27           1HB      LEU  27  -4.259  -2.197   0.125
  208    HG   LEU  27           HG       LEU  27  -2.762  -0.116   0.040
  209   HD11  LEU  27          1HD1      LEU  27  -2.460  -2.008   2.342
  210   HD12  LEU  27          2HD1      LEU  27  -3.870  -0.993   2.049
  211   HD13  LEU  27          3HD1      LEU  27  -2.308  -0.253   2.404
  212   HD21  LEU  27          3HD2      LEU  27  -0.702  -2.129   0.751
  213   HD22  LEU  27          1HD2      LEU  27  -0.512  -0.375   0.726
  214   HD23  LEU  27          2HD2      LEU  27  -0.801  -1.256  -0.777
  215    H    LYS  28           H        LYS  28  -2.914  -4.433  -2.610
  216    HA   LYS  28           HA       LYS  28  -5.234  -5.945  -2.418
  217    HB2  LYS  28           2HB      LYS  28  -2.873  -6.223  -4.207
  218    HB3  LYS  28           1HB      LYS  28  -4.159  -7.381  -4.297
  219    HG2  LYS  28           2HG      LYS  28  -4.410  -4.411  -4.741
  220    HG3  LYS  28           1HG      LYS  28  -4.309  -5.646  -6.013
  221    HD2  LYS  28           2HD      LYS  28  -6.264  -5.896  -3.864
  222    HD3  LYS  28           1HD      LYS  28  -6.625  -4.770  -5.168
  223    HE2  LYS  28           2HE      LYS  28  -7.610  -6.656  -6.017
  224    HE3  LYS  28           1HE      LYS  28  -5.977  -6.894  -6.627
  225    HZ1  LYS  28           3HZ      LYS  28  -7.030  -8.083  -4.117
  226    HZ2  LYS  28           1HZ      LYS  28  -5.508  -8.379  -4.804
  227    HZ3  LYS  28           2HZ      LYS  28  -6.918  -8.897  -5.594
  228    H    GLN  29           H        GLN  29  -1.818  -7.052  -1.907
  229    HA   GLN  29           HA       GLN  29  -2.819  -9.685  -1.339
  230    HB2  GLN  29           2HB      GLN  29  -0.485 -10.188  -0.979
  231    HB3  GLN  29           1HB      GLN  29  -0.749  -9.342  -2.453
  232    HG2  GLN  29           2HG      GLN  29  -0.105  -7.267  -1.072
  233    HG3  GLN  29           1HG      GLN  29   0.648  -8.476  -0.039
  234   HE21  GLN  29          1HE2      GLN  29   1.852  -6.418  -1.725
  235   HE22  GLN  29          2HE2      GLN  29   2.895  -7.233  -2.834
  236    H    THR  30           H        THR  30  -1.850  -6.940   0.535
  237    HA   THR  30           HA       THR  30  -2.052  -8.341   3.057
  238    HB   THR  30           HB       THR  30  -1.758  -6.091   4.037
  239    HG1  THR  30           1HG      THR  30  -1.304  -5.095   1.449
  240   HG21  THR  30          3HG2      THR  30   0.192  -6.780   1.848
  241   HG22  THR  30          1HG2      THR  30   0.194  -7.453   3.480
  242   HG23  THR  30          2HG2      THR  30   0.530  -5.739   3.234
  243    H    ASN  31           H        ASN  31  -4.238  -7.089   0.913
  244    HA   ASN  31           HA       ASN  31  -6.317  -6.293   0.888
  245    HB2  ASN  31           2HB      ASN  31  -6.572  -8.497   2.216
  246    HB3  ASN  31           1HB      ASN  31  -6.828  -7.445   3.610
  247   HD21  ASN  31          1HD2      ASN  31  -7.946  -8.203   0.386
  248   HD22  ASN  31          2HD2      ASN  31  -9.575  -7.663   0.616
  249    H    GLY  32           H        GLY  32  -4.762  -4.279   1.379
  250    HA2  GLY  32           2HA      GLY  32  -5.228  -2.117   1.772
  251    HA3  GLY  32           1HA      GLY  32  -6.687  -2.604   2.613
  252    H    ASN  33           H        ASN  33  -4.181  -4.159   4.337
  253    HA   ASN  33           HA       ASN  33  -4.301  -1.968   6.186
  254    HB2  ASN  33           2HB      ASN  33  -3.692  -3.440   7.875
  255    HB3  ASN  33           1HB      ASN  33  -4.813  -4.300   6.869
  256   HD21  ASN  33          1HD2      ASN  33  -2.566  -4.729   4.917
  257   HD22  ASN  33          2HD2      ASN  33  -1.692  -6.050   5.596
  258    H    ALA  34           H        ALA  34  -2.781  -0.583   6.661
  259    HA   ALA  34           HA       ALA  34  -0.990  -0.140   4.565
  260    HB1  ALA  34           1HB      ALA  34  -2.190   1.614   5.791
  261    HB2  ALA  34           2HB      ALA  34  -0.462   1.933   5.642
  262    HB3  ALA  34           3HB      ALA  34  -1.121   1.346   7.168
  263    H    GLU  35           H        GLU  35  -0.160  -1.098   7.917
  264    HA   GLU  35           HA       GLU  35   2.487  -0.590   7.508
  265    HB2  GLU  35           2HB      GLU  35   1.003  -2.059   9.578
  266    HB3  GLU  35           1HB      GLU  35   2.744  -2.001   9.580
  267    HG2  GLU  35           2HG      GLU  35   0.976   0.375   9.554
  268    HG3  GLU  35           1HG      GLU  35   1.670  -0.349  10.976
  269    H    PHE  36           H        PHE  36   0.590  -3.360   7.372
  270    HA   PHE  36           HA       PHE  36   2.588  -5.239   6.727
  271    HB2  PHE  36           2HB      PHE  36  -0.387  -5.056   6.478
  272    HB3  PHE  36           1HB      PHE  36   0.438  -6.395   5.721
  273    HD1  PHE  36           1HD      PHE  36   0.934  -4.585   8.899
  274    HD2  PHE  36           2HD      PHE  36   0.114  -8.319   7.050
  275    HE1  PHE  36           1HE      PHE  36   0.993  -5.612  11.029
  276    HE2  PHE  36           2HE      PHE  36   0.169  -9.407   9.264
  277    HZ   PHE  36           HZ       PHE  36   0.611  -8.051  11.282
  278    H    ALA  37           H        ALA  37   0.850  -2.831   4.997
  279    HA   ALA  37           HA       ALA  37   1.103  -3.875   2.381
  280    HB1  ALA  37           1HB      ALA  37   0.711  -1.093   3.441
  281    HB2  ALA  37           2HB      ALA  37  -0.547  -2.236   2.969
  282    HB3  ALA  37           3HB      ALA  37   0.535  -1.562   1.751
  283    H    ALA  38           H        ALA  38   2.850  -1.409   4.148
  284    HA   ALA  38           HA       ALA  38   4.745  -0.707   2.290
  285    HB1  ALA  38           1HB      ALA  38   5.093  -0.883   5.274
  286    HB2  ALA  38           2HB      ALA  38   4.388   0.477   4.402
  287    HB3  ALA  38           3HB      ALA  38   6.083   0.058   4.162
  288    H    SER  39           H        SER  39   4.746  -3.335   4.651
  289    HA   SER  39           HA       SER  39   7.485  -3.987   4.244
  290    HB2  SER  39           2HB      SER  39   5.254  -5.612   5.495
  291    HB3  SER  39           1HB      SER  39   6.984  -5.915   5.678
  292    HG   SER  39           HG       SER  39   6.619  -3.414   6.376
  293    H    LEU  40           H        LEU  40   4.446  -4.702   2.817
  294    HA   LEU  40           HA       LEU  40   5.328  -7.070   1.493
  295    HB2  LEU  40           2HB      LEU  40   2.912  -5.806   2.207
  296    HB3  LEU  40           1HB      LEU  40   2.959  -5.867   0.492
  297    HG   LEU  40           HG       LEU  40   1.834  -7.848   1.147
  298   HD11  LEU  40          1HD1      LEU  40   3.320  -9.672   0.514
  299   HD12  LEU  40          2HD1      LEU  40   4.717  -8.615   0.718
  300   HD13  LEU  40          3HD1      LEU  40   3.536  -8.283  -0.549
  301   HD21  LEU  40          3HD2      LEU  40   2.392  -7.754   3.507
  302   HD22  LEU  40          1HD2      LEU  40   4.051  -8.238   3.155
  303   HD23  LEU  40          2HD2      LEU  40   2.725  -9.364   2.866
  304    H    LEU  41           H        LEU  41   4.670  -3.619   0.748
  305    HA   LEU  41           HA       LEU  41   5.131  -4.070  -2.018
  306    HB2  LEU  41           2HB      LEU  41   4.791  -1.792  -2.322
  307    HB3  LEU  41           1HB      LEU  41   3.710  -2.303  -1.042
  308    HG   LEU  41           HG       LEU  41   5.377  -1.376   0.578
  309   HD11  LEU  41          1HD1      LEU  41   6.476  -0.144  -1.900
  310   HD12  LEU  41          2HD1      LEU  41   7.246  -1.397  -0.927
  311   HD13  LEU  41          3HD1      LEU  41   6.967   0.206  -0.240
  312   HD21  LEU  41          3HD2      LEU  41   4.061   0.445  -1.396
  313   HD22  LEU  41          1HD2      LEU  41   4.621   0.918   0.209
  314   HD23  LEU  41          2HD2      LEU  41   3.324  -0.266   0.039
  315    H    PHE  42           H        PHE  42   7.010  -3.466   0.726
  316    HA   PHE  42           HA       PHE  42   9.350  -2.391  -0.182
  317    HB2  PHE  42           2HB      PHE  42   8.457  -3.798   2.139
  318    HB3  PHE  42           1HB      PHE  42  10.089  -4.316   1.720
  319    HD1  PHE  42           1HD      PHE  42   7.927  -1.511   2.143
  320    HD2  PHE  42           2HD      PHE  42  11.919  -2.871   2.265
  321    HE1  PHE  42           1HE      PHE  42   8.616   0.644   2.976
  322    HE2  PHE  42           2HE      PHE  42  12.655  -0.685   3.154
  323    HZ   PHE  42           HZ       PHE  42  10.985   1.102   3.521
  324    H    GLN  43           H        GLN  43   7.981  -5.499  -0.868
  325    HA   GLN  43           HA       GLN  43  10.137  -7.134  -1.452
  326    HB2  GLN  43           2HB      GLN  43   7.527  -6.771  -2.885
  327    HB3  GLN  43           1HB      GLN  43   8.663  -8.021  -3.329
  328    HG2  GLN  43           2HG      GLN  43   8.387  -9.168  -1.304
  329    HG3  GLN  43           1HG      GLN  43   7.598  -7.794  -0.538
  330   HE21  GLN  43          1HE2      GLN  43   5.714  -7.161  -2.532
  331   HE22  GLN  43          2HE2      GLN  43   4.579  -8.440  -2.633
  332    H    SER  44           H        SER  44   8.942  -4.399  -3.079
  333    HA   SER  44           HA       SER  44   9.712  -3.052  -4.726
  334    HB2  SER  44           2HB      SER  44  11.908  -3.534  -3.437
  335    HB3  SER  44           1HB      SER  44  12.293  -4.605  -4.784
  336    HG   SER  44           HG       SER  44  12.032  -1.809  -4.723