*HEADER    TRANSFERASE                             25-AUG-06   2I5O              
*TITLE     SOLUTION STRUCTURE OF THE UBIQUITIN-BINDING ZINC FINGER               
*TITLE    2 (UBZ) DOMAIN OF THE HUMAN DNA Y-POLYMERASE ETA                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE ETA;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBIQUITIN-BINDING ZINC FINGER (UBZ);                       
*COMPND   5 SYNONYM: RAD30 HOMOLOG A, XERODERMA PIGMENTOSUM VARIANT              
*COMPND   6 TYPE PROTEIN;                                                        
*COMPND   7 EC: 2.7.7.7;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: POLH;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)STAR;                             
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    ZINC FINGER, DNA POLYMERASE,POL ETA, UBZ, UBIQUITIN-BINDING           
*KEYWDS   2 ZINC FINGER, TRANSLESION SYNTHESIS, UBIQUITIN-BINDING DOMAIN         
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    P.ZHOU, M.G.BOMAR                                                     
*REVDAT   1   13-MAR-07 2I5O    0 

! NOE distance constraints

assign ( resid    2 and name   HA )  ( resid    2 and name  HB# ) 5.50 3.70 0.00 
assign ( resid    3 and name  HB1 )  ( resid    3 and name  HB2 ) 2.44 0.64 0.00 
assign ( resid    4 and name   HA )  ( resid    5 and name   HN ) 3.71 1.91 0.00 
assign ( resid    4 and name   HN )  ( resid    4 and name   HA ) 5.50 3.70 0.00 
assign ( resid    4 and name  HB1 )  ( resid    5 and name   HN ) 5.50 3.70 0.00 
assign ( resid    4 and name  HB2 )  ( resid    4 and name  HB1 ) 3.10 1.30 0.00 
assign ( resid    4 and name  HB2 )  ( resid    5 and name   HN ) 5.50 3.70 0.00 
assign ( resid    4 and name  HG1 )  ( resid    4 and name  HG2 ) 3.10 1.30 0.00 
assign ( resid    5 and name   HA )  ( resid    6 and name   HN ) 3.60 1.80 0.00 
assign ( resid    5 and name   HN )  ( resid    5 and name   HA ) 4.89 3.09 0.00 
assign ( resid    5 and name   HN )  ( resid    5 and name  HB# ) 3.78 1.98 0.00 
assign ( resid    5 and name   HN )  ( resid    6 and name   HN ) 4.22 2.42 0.00 
assign ( resid    5 and name  HB# )  ( resid    5 and name   HA ) 4.66 2.86 0.00 
assign ( resid    6 and name   HA )  ( resid    7 and name   HN ) 3.60 1.80 0.00 
assign ( resid    6 and name   HN )  ( resid    6 and name   HA ) 3.81 2.01 0.00 
assign ( resid    6 and name   HN )  ( resid    6 and name  HB# ) 3.32 1.52 0.00 
assign ( resid    6 and name  HB# )  ( resid    6 and name   HA ) 3.86 2.06 0.00 
assign ( resid    6 and name  HB# )  ( resid    7 and name   HN ) 3.73 1.93 0.00 
assign ( resid    6 and name  HB# )  ( resid    8 and name   HN ) 4.34 2.54 0.00 
assign ( resid    7 and name   HA )  ( resid    7 and name  HB1 ) 3.98 2.18 0.00 
assign ( resid    7 and name   HA )  ( resid    7 and name  HB2 ) 4.30 2.50 0.00 
assign ( resid    7 and name   HA )  ( resid    7 and name  HG# ) 4.74 2.94 0.00 
assign ( resid    7 and name   HA )  ( resid    8 and name   HN ) 3.34 1.54 0.00 
assign ( resid    7 and name   HA )  ( resid    9 and name   HN ) 5.50 3.70 0.00 
assign ( resid    7 and name   HN )  ( resid    7 and name   HA ) 4.45 2.65 0.00 
assign ( resid    7 and name   HN )  ( resid    7 and name  HB1 ) 4.32 2.52 0.00 
assign ( resid    7 and name   HN )  ( resid    7 and name  HB2 ) 3.60 1.80 0.00 
assign ( resid    7 and name   HN )  ( resid    7 and name  HG# ) 4.08 2.28 0.00 
assign ( resid    7 and name   HN )  ( resid    8 and name   HN ) 3.73 1.93 0.00 
assign ( resid    7 and name  HB1 )  ( resid    7 and name  HG# ) 2.41 0.61 0.00 
assign ( resid    7 and name  HB1 )  ( resid    8 and name   HN ) 4.45 2.65 0.00 
assign ( resid    7 and name  HB2 )  ( resid    7 and name  HB1 ) 2.69 0.89 0.00 
assign ( resid    7 and name  HB2 )  ( resid    7 and name  HG# ) 4.05 2.25 0.00 
assign ( resid    7 and name  HB2 )  ( resid    8 and name   HN ) 4.79 2.99 0.00 
assign ( resid    7 and name  HG# )  ( resid    8 and name   HN ) 5.01 3.21 0.00 
assign ( resid    8 and name   HA )  ( resid    8 and name  HB1 ) 4.15 2.35 0.00 
assign ( resid    8 and name   HA )  ( resid    8 and name  HB2 ) 4.02 2.22 0.00 
assign ( resid    8 and name   HA )  ( resid    9 and name   HN ) 2.97 1.17 0.00 
assign ( resid    8 and name   HA )  ( resid   21 and name   HB ) 5.55 3.75 0.00 
assign ( resid    8 and name   HA )  ( resid   21 and name   HN ) 5.00 3.20 0.00 
assign ( resid    8 and name   HA )  ( resid   21 and name HG1# ) 4.12 2.32 0.00 
assign ( resid    8 and name   HA )  ( resid   21 and name HG2# ) 4.46 2.66 0.00 
assign ( resid    8 and name   HN )  ( resid    8 and name   HA ) 3.95 2.15 0.00 
assign ( resid    8 and name   HN )  ( resid    8 and name  HB1 ) 4.44 2.64 0.00 
assign ( resid    8 and name   HN )  ( resid    8 and name  HB2 ) 3.47 1.67 0.00 
assign ( resid    8 and name   HN )  ( resid    9 and name   HN ) 3.20 1.40 0.00 
assign ( resid    8 and name  HB1 )  ( resid    9 and name   HN ) 4.96 3.16 0.00 
assign ( resid    8 and name  HB1 )  ( resid   21 and name   HN ) 5.50 3.70 0.00 
assign ( resid    8 and name  HB1 )  ( resid   22 and name  HZ3 ) 5.50 3.70 0.00 
assign ( resid    8 and name  HB2 )  ( resid    8 and name  HB1 ) 2.60 0.80 0.00 
assign ( resid    8 and name  HB2 )  ( resid    9 and name   HN ) 5.41 3.61 0.00 
assign ( resid    8 and name  HB2 )  ( resid   21 and name   HN ) 5.50 3.70 0.00 
assign ( resid    8 and name  HB2 )  ( resid   21 and name HG1# ) 4.25 2.45 0.00 
assign ( resid    8 and name  HB2 )  ( resid   21 and name HG2# ) 5.50 3.70 0.00 
assign ( resid    8 and name  HB2 )  ( resid   22 and name  HH2 ) 5.50 3.70 0.00 
assign ( resid    8 and name  HB2 )  ( resid   22 and name  HZ3 ) 4.34 2.54 0.00 
assign ( resid    9 and name   HA )  ( resid    9 and name  HB1 ) 3.34 1.54 0.00 
assign ( resid    9 and name   HA )  ( resid    9 and name  HB2 ) 3.66 1.86 0.00 
assign ( resid    9 and name   HA )  ( resid    9 and name  HG1 ) 4.54 2.74 0.00 
assign ( resid    9 and name   HA )  ( resid    9 and name  HG2 ) 3.80 2.00 0.00 
assign ( resid    9 and name   HA )  ( resid   10 and name   HN ) 2.79 0.99 0.00 
assign ( resid    9 and name   HA )  ( resid   20 and name   HA ) 3.05 1.25 0.00 
assign ( resid    9 and name   HA )  ( resid   21 and name   HN ) 4.50 2.70 0.00 
assign ( resid    9 and name   HN )  ( resid    9 and name  HB1 ) 4.26 2.46 0.00 
assign ( resid    9 and name   HN )  ( resid    9 and name  HB2 ) 4.30 2.50 0.00 
assign ( resid    9 and name   HN )  ( resid    9 and name  HG1 ) 3.78 1.98 0.00 
assign ( resid    9 and name   HN )  ( resid    9 and name  HG2 ) 4.30 2.50 0.00 
assign ( resid    9 and name   HN )  ( resid   10 and name   HN ) 5.50 3.70 0.00 
assign ( resid    9 and name   HN )  ( resid   10 and name HG1# ) 5.50 3.70 0.00 
assign ( resid    9 and name  HB1 )  ( resid    9 and name  HB2 ) 3.44 1.64 0.00 
assign ( resid    9 and name  HB1 )  ( resid    9 and name  HG1 ) 3.89 2.09 0.00 
assign ( resid    9 and name  HB1 )  ( resid    9 and name  HG2 ) 3.82 2.02 0.00 
assign ( resid    9 and name  HB1 )  ( resid    9 and name HE21 ) 5.50 3.70 0.00 
assign ( resid    9 and name  HB1 )  ( resid    9 and name HE22 ) 5.50 3.70 0.00 
assign ( resid    9 and name  HB1 )  ( resid   10 and name   HN ) 4.50 2.70 0.00 
assign ( resid    9 and name  HB1 )  ( resid   20 and name   HA ) 5.50 3.70 0.00 
assign ( resid    9 and name  HB2 )  ( resid    9 and name  HG1 ) 3.40 1.60 0.00 
assign ( resid    9 and name  HB2 )  ( resid    9 and name  HG2 ) 2.96 1.16 0.00 
assign ( resid    9 and name  HB2 )  ( resid    9 and name HE21 ) 5.50 3.70 0.00 
assign ( resid    9 and name  HB2 )  ( resid   10 and name   HN ) 4.26 2.46 0.00 
assign ( resid    9 and name  HB2 )  ( resid   20 and name   HA ) 5.50 3.70 0.00 
assign ( resid    9 and name  HG1 )  ( resid    9 and name HE21 ) 5.49 3.69 0.00 
assign ( resid    9 and name  HG1 )  ( resid    9 and name HE22 ) 5.50 3.70 0.00 
assign ( resid    9 and name  HG1 )  ( resid   20 and name   HA ) 4.97 3.17 0.00 
assign ( resid    9 and name  HG2 )  ( resid    9 and name  HG1 ) 2.82 1.02 0.00 
assign ( resid    9 and name  HG2 )  ( resid    9 and name HE21 ) 5.50 3.70 0.00 
assign ( resid    9 and name  HG2 )  ( resid   20 and name   HA ) 3.69 1.89 0.00 
assign ( resid    9 and name HE22 )  ( resid    9 and name HE21 ) 2.40 0.60 0.00 
assign ( resid   10 and name   HA )  ( resid   10 and name   HB ) 3.43 1.63 0.00 
assign ( resid   10 and name   HA )  ( resid   10 and name HG1# ) 3.84 2.04 0.00 
assign ( resid   10 and name   HA )  ( resid   10 and name HG2# ) 3.80 2.00 0.00 
assign ( resid   10 and name   HA )  ( resid   11 and name  HD# ) 2.67 0.87 0.00 
assign ( resid   10 and name   HA )  ( resid   18 and name HD2# ) 4.75 2.95 0.00 
assign ( resid   10 and name   HB )  ( resid   11 and name  HD# ) 3.40 1.60 0.00 
assign ( resid   10 and name   HN )  ( resid   10 and name   HB ) 4.03 2.23 0.00 
assign ( resid   10 and name   HN )  ( resid   10 and name HG1# ) 5.50 3.70 0.00 
assign ( resid   10 and name   HN )  ( resid   10 and name HG2# ) 3.41 1.61 0.00 
assign ( resid   10 and name   HN )  ( resid   11 and name  HD# ) 5.50 3.70 0.00 
assign ( resid   10 and name   HN )  ( resid   20 and name   HA ) 4.70 2.90 0.00 
assign ( resid   10 and name   HN )  ( resid   21 and name   HA ) 5.50 3.70 0.00 
assign ( resid   10 and name HG1# )  ( resid   10 and name   HB ) 3.50 1.70 0.00 
assign ( resid   10 and name HG1# )  ( resid   10 and name HG2# ) 2.40 0.60 0.00 
assign ( resid   10 and name HG1# )  ( resid   11 and name  HD# ) 4.25 2.45 0.00 
assign ( resid   10 and name HG1# )  ( resid   21 and name   HB ) 5.50 3.70 0.00 
assign ( resid   10 and name HG1# )  ( resid   24 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   10 and name HG1# )  ( resid   24 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   10 and name HG2# )  ( resid   10 and name   HB ) 3.38 1.58 0.00 
assign ( resid   10 and name HG2# )  ( resid   11 and name  HD# ) 4.02 2.22 0.00 
assign ( resid   10 and name HG2# )  ( resid   21 and name   HA ) 4.97 3.17 0.00 
assign ( resid   10 and name HG2# )  ( resid   24 and name  HE# ) 3.84 2.04 0.00 
assign ( resid   10 and name HG2# )  ( resid   24 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   10 and name HG2# )  ( resid   24 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   11 and name   HA )  ( resid   11 and name  HD# ) 3.63 1.83 0.00 
assign ( resid   11 and name   HA )  ( resid   12 and name   HN ) 2.73 0.93 0.00 
assign ( resid   11 and name   HA )  ( resid   12 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   11 and name   HA )  ( resid   12 and name  HB2 ) 5.50 3.70 0.00 
assign ( resid   11 and name   HA )  ( resid   18 and name   HA ) 3.04 1.24 0.00 
assign ( resid   11 and name   HA )  ( resid   18 and name   HG ) 5.13 3.33 0.00 
assign ( resid   11 and name   HA )  ( resid   18 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   11 and name   HA )  ( resid   18 and name HD1# ) 4.93 3.13 0.00 
assign ( resid   11 and name   HA )  ( resid   18 and name HD2# ) 3.46 1.66 0.00 
assign ( resid   11 and name   HA )  ( resid   19 and name   HN ) 4.98 3.18 0.00 
assign ( resid   11 and name   HA )  ( resid   19 and name HG2# ) 5.50 3.70 0.00 
assign ( resid   11 and name  HB1 )  ( resid   11 and name   HA ) 3.79 1.99 0.00 
assign ( resid   11 and name  HB1 )  ( resid   11 and name  HD# ) 4.03 2.23 0.00 
assign ( resid   11 and name  HB1 )  ( resid   12 and name   HN ) 5.03 3.23 0.00 
assign ( resid   11 and name  HB1 )  ( resid   16 and name  HA1 ) 5.50 3.70 0.00 
assign ( resid   11 and name  HB1 )  ( resid   16 and name  HA2 ) 5.10 3.30 0.00 
assign ( resid   11 and name  HB1 )  ( resid   18 and name HD2# ) 5.00 3.20 0.00 
assign ( resid   11 and name  HB2 )  ( resid   11 and name   HA ) 3.27 1.47 0.00 
assign ( resid   11 and name  HB2 )  ( resid   11 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   11 and name  HB2 )  ( resid   11 and name  HD# ) 3.85 2.05 0.00 
assign ( resid   11 and name  HB2 )  ( resid   12 and name   HN ) 4.45 2.65 0.00 
assign ( resid   11 and name  HB2 )  ( resid   16 and name  HA1 ) 5.50 3.70 0.00 
assign ( resid   11 and name  HB2 )  ( resid   16 and name  HA2 ) 4.96 3.16 0.00 
assign ( resid   11 and name  HB2 )  ( resid   18 and name   HA ) 5.29 3.49 0.00 
assign ( resid   11 and name  HB2 )  ( resid   18 and name HD2# ) 4.17 2.37 0.00 
assign ( resid   11 and name  HB2 )  ( resid   19 and name   HN ) 5.50 3.70 0.00 
assign ( resid   11 and name  HD# )  ( resid   11 and name  HG1 ) 3.46 1.66 0.00 
assign ( resid   11 and name  HD# )  ( resid   11 and name  HG2 ) 3.42 1.62 0.00 
assign ( resid   11 and name  HD# )  ( resid   12 and name   HN ) 5.50 3.70 0.00 
assign ( resid   11 and name  HD# )  ( resid   18 and name HD2# ) 4.09 2.29 0.00 
assign ( resid   11 and name  HG1 )  ( resid   11 and name   HA ) 4.92 3.12 0.00 
assign ( resid   11 and name  HG1 )  ( resid   18 and name HD2# ) 5.50 3.70 0.00 
assign ( resid   11 and name  HG2 )  ( resid   11 and name   HA ) 5.00 3.20 0.00 
assign ( resid   11 and name  HG2 )  ( resid   11 and name  HG1 ) 2.73 0.93 0.00 
assign ( resid   11 and name  HG2 )  ( resid   18 and name HD2# ) 4.49 2.69 0.00 
assign ( resid   12 and name   HA )  ( resid   12 and name  HB1 ) 3.91 2.11 0.00 
assign ( resid   12 and name   HA )  ( resid   12 and name  HB2 ) 3.54 1.74 0.00 
assign ( resid   12 and name   HA )  ( resid   13 and name   HN ) 2.98 1.18 0.00 
assign ( resid   12 and name   HA )  ( resid   24 and name  HE# ) 3.65 1.85 0.00 
assign ( resid   12 and name   HN )  ( resid   12 and name   HA ) 3.60 1.80 0.00 
assign ( resid   12 and name   HN )  ( resid   12 and name  HB1 ) 3.18 1.38 0.00 
assign ( resid   12 and name   HN )  ( resid   12 and name  HB2 ) 3.48 1.68 0.00 
assign ( resid   12 and name   HN )  ( resid   18 and name   HG ) 5.50 3.70 0.00 
assign ( resid   12 and name   HN )  ( resid   18 and name HD2# ) 5.50 3.70 0.00 
assign ( resid   12 and name   HN )  ( resid   19 and name HG2# ) 4.89 3.09 0.00 
assign ( resid   12 and name  HB1 )  ( resid   15 and name   HN ) 3.76 1.96 0.00 
assign ( resid   12 and name  HB1 )  ( resid   16 and name   HN ) 3.91 2.11 0.00 
assign ( resid   12 and name  HB1 )  ( resid   17 and name   HN ) 5.25 3.45 0.00 
assign ( resid   12 and name  HB1 )  ( resid   19 and name HG2# ) 4.78 2.98 0.00 
assign ( resid   12 and name  HB1 )  ( resid   27 and name  HD2 ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   12 and name  HB1 ) 2.68 0.88 0.00 
assign ( resid   12 and name  HB2 )  ( resid   13 and name   HN ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   15 and name   HN ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   16 and name   HN ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   19 and name   HB ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   19 and name HG1# ) 5.50 3.70 0.00 
assign ( resid   12 and name  HB2 )  ( resid   19 and name HG2# ) 3.67 1.87 0.00 
assign ( resid   12 and name  HB2 )  ( resid   24 and name  HE# ) 3.91 2.11 0.00 
assign ( resid   12 and name  HB2 )  ( resid   27 and name  HD2 ) 4.02 2.22 0.00 
assign ( resid   13 and name   HA )  ( resid   13 and name  HB# ) 3.10 1.30 0.00 
assign ( resid   13 and name   HA )  ( resid   13 and name  HG# ) 4.02 2.22 0.00 
assign ( resid   13 and name   HA )  ( resid   14 and name   HN ) 5.50 3.70 0.00 
assign ( resid   13 and name   HA )  ( resid   15 and name   HN ) 5.50 3.70 0.00 
assign ( resid   13 and name   HA )  ( resid   16 and name   HN ) 5.50 3.70 0.00 
assign ( resid   13 and name   HN )  ( resid   13 and name   HA ) 4.11 2.31 0.00 
assign ( resid   13 and name   HN )  ( resid   13 and name  HB# ) 3.32 1.52 0.00 
assign ( resid   13 and name   HN )  ( resid   13 and name  HG# ) 4.01 2.21 0.00 
assign ( resid   13 and name   HN )  ( resid   14 and name   HA ) 5.37 3.57 0.00 
assign ( resid   13 and name  HB# )  ( resid   13 and name  HG# ) 2.57 0.77 0.00 
assign ( resid   13 and name  HB# )  ( resid   14 and name   HN ) 5.50 3.70 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HB1 ) 3.68 1.88 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HB2 ) 4.02 2.22 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HD1 ) 4.33 2.53 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HD2 ) 5.50 3.70 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   14 and name   HA )  ( resid   14 and name  HG# ) 3.42 1.62 0.00 
assign ( resid   14 and name   HA )  ( resid   15 and name   HN ) 4.60 2.80 0.00 
assign ( resid   14 and name   HN )  ( resid   14 and name   HA ) 5.01 3.21 0.00 
assign ( resid   14 and name   HN )  ( resid   14 and name  HB1 ) 5.47 3.67 0.00 
assign ( resid   14 and name   HN )  ( resid   14 and name  HB2 ) 3.96 2.16 0.00 
assign ( resid   14 and name   HN )  ( resid   14 and name  HG# ) 5.10 3.30 0.00 
assign ( resid   14 and name   HN )  ( resid   15 and name   HN ) 3.23 1.43 0.00 
assign ( resid   14 and name   HN )  ( resid   16 and name   HN ) 5.50 3.70 0.00 
assign ( resid   14 and name  HB1 )  ( resid   14 and name  HD1 ) 2.40 0.60 0.00 
assign ( resid   14 and name  HB1 )  ( resid   14 and name  HD2 ) 3.00 1.20 0.00 
assign ( resid   14 and name  HB1 )  ( resid   14 and name  HE# ) 4.25 2.45 0.00 
assign ( resid   14 and name  HB1 )  ( resid   14 and name  HG# ) 2.49 0.69 0.00 
assign ( resid   14 and name  HB1 )  ( resid   15 and name   HN ) 4.03 2.23 0.00 
assign ( resid   14 and name  HB1 )  ( resid   31 and name  HD2 ) 4.18 2.38 0.00 
assign ( resid   14 and name  HB1 )  ( resid   31 and name  HE1 ) 4.30 2.50 0.00 
assign ( resid   14 and name  HB2 )  ( resid   14 and name  HB1 ) 2.59 0.79 0.00 
assign ( resid   14 and name  HB2 )  ( resid   14 and name  HD1 ) 3.42 1.62 0.00 
assign ( resid   14 and name  HB2 )  ( resid   14 and name  HD2 ) 3.00 1.20 0.00 
assign ( resid   14 and name  HB2 )  ( resid   14 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   14 and name  HB2 )  ( resid   14 and name  HG# ) 2.57 0.77 0.00 
assign ( resid   14 and name  HB2 )  ( resid   15 and name   HN ) 3.54 1.74 0.00 
assign ( resid   14 and name  HB2 )  ( resid   31 and name  HD2 ) 4.86 3.06 0.00 
assign ( resid   14 and name  HB2 )  ( resid   31 and name  HE1 ) 5.34 3.54 0.00 
assign ( resid   14 and name  HD1 )  ( resid   14 and name  HE# ) 4.06 2.26 0.00 
assign ( resid   14 and name  HD1 )  ( resid   28 and name  HE# ) 4.71 2.91 0.00 
assign ( resid   14 and name  HD1 )  ( resid   31 and name  HB1 ) 5.26 3.46 0.00 
assign ( resid   14 and name  HD1 )  ( resid   31 and name  HB2 ) 4.89 3.09 0.00 
assign ( resid   14 and name  HD2 )  ( resid   14 and name  HD1 ) 2.43 0.63 0.00 
assign ( resid   14 and name  HD2 )  ( resid   14 and name  HE# ) 3.82 2.02 0.00 
assign ( resid   14 and name  HD2 )  ( resid   31 and name  HB1 ) 5.29 3.49 0.00 
assign ( resid   14 and name  HD2 )  ( resid   31 and name  HB2 ) 5.28 3.48 0.00 
assign ( resid   14 and name  HE# )  ( resid   28 and name  HE# ) 4.06 2.26 0.00 
assign ( resid   14 and name  HE# )  ( resid   32 and name  HD# ) 5.50 3.70 0.00 
assign ( resid   14 and name  HG# )  ( resid   14 and name  HD1 ) 2.55 0.75 0.00 
assign ( resid   14 and name  HG# )  ( resid   14 and name  HD2 ) 2.55 0.75 0.00 
assign ( resid   14 and name  HG# )  ( resid   14 and name  HE# ) 3.46 1.66 0.00 
assign ( resid   14 and name  HG# )  ( resid   15 and name   HN ) 5.50 3.70 0.00 
assign ( resid   14 and name  HG# )  ( resid   28 and name  HE# ) 3.54 1.74 0.00 
assign ( resid   15 and name   HA )  ( resid   15 and name  HB1 ) 3.68 1.88 0.00 
assign ( resid   15 and name   HA )  ( resid   15 and name  HB2 ) 3.74 1.94 0.00 
assign ( resid   15 and name   HA )  ( resid   16 and name   HN ) 5.50 3.70 0.00 
assign ( resid   15 and name   HN )  ( resid   15 and name   HA ) 4.48 2.68 0.00 
assign ( resid   15 and name   HN )  ( resid   15 and name  HB1 ) 4.08 2.28 0.00 
assign ( resid   15 and name   HN )  ( resid   15 and name  HB2 ) 5.50 3.70 0.00 
assign ( resid   15 and name   HN )  ( resid   16 and name   HN ) 2.90 1.10 0.00 
assign ( resid   15 and name   HN )  ( resid   16 and name  HA2 ) 5.50 3.70 0.00 
assign ( resid   15 and name  HB1 )  ( resid   31 and name  HE1 ) 3.29 1.49 0.00 
assign ( resid   15 and name  HB2 )  ( resid   15 and name  HB1 ) 2.61 0.81 0.00 
assign ( resid   15 and name  HB2 )  ( resid   16 and name   HN ) 5.50 3.70 0.00 
assign ( resid   15 and name  HB2 )  ( resid   31 and name  HE1 ) 3.92 2.12 0.00 
assign ( resid   16 and name   HN )  ( resid   16 and name  HA1 ) 3.78 1.98 0.00 
assign ( resid   16 and name   HN )  ( resid   16 and name  HA2 ) 3.09 1.29 0.00 
assign ( resid   16 and name  HA1 )  ( resid   16 and name  HA2 ) 2.40 0.60 0.00 
assign ( resid   17 and name   HA )  ( resid   17 and name  HB1 ) 3.79 1.99 0.00 
assign ( resid   17 and name   HA )  ( resid   17 and name  HB2 ) 3.62 1.82 0.00 
assign ( resid   17 and name   HN )  ( resid   17 and name   HA ) 5.50 3.70 0.00 
assign ( resid   17 and name   HN )  ( resid   17 and name  HB1 ) 4.41 2.61 0.00 
assign ( resid   17 and name   HN )  ( resid   17 and name  HB2 ) 4.52 2.72 0.00 
assign ( resid   17 and name  HB1 )  ( resid   18 and name   HN ) 4.70 2.90 0.00 
assign ( resid   17 and name  HB1 )  ( resid   19 and name HG2# ) 4.33 2.53 0.00 
assign ( resid   17 and name  HB1 )  ( resid   27 and name  HE1 ) 4.18 2.38 0.00 
assign ( resid   17 and name  HB2 )  ( resid   17 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   17 and name  HB2 )  ( resid   18 and name   HN ) 4.04 2.24 0.00 
assign ( resid   17 and name  HB2 )  ( resid   19 and name HG2# ) 4.30 2.50 0.00 
assign ( resid   17 and name  HB2 )  ( resid   27 and name  HE1 ) 4.36 2.56 0.00 
assign ( resid   18 and name   HA )  ( resid   18 and name   HG ) 3.92 2.12 0.00 
assign ( resid   18 and name   HA )  ( resid   18 and name  HB1 ) 3.25 1.45 0.00 
assign ( resid   18 and name   HA )  ( resid   18 and name  HB2 ) 3.56 1.76 0.00 
assign ( resid   18 and name   HA )  ( resid   18 and name HD1# ) 4.84 3.04 0.00 
assign ( resid   18 and name   HA )  ( resid   18 and name HD2# ) 3.30 1.50 0.00 
assign ( resid   18 and name   HA )  ( resid   19 and name HG1# ) 5.50 3.70 0.00 
assign ( resid   18 and name   HA )  ( resid   19 and name HG2# ) 4.18 2.38 0.00 
assign ( resid   18 and name   HG )  ( resid   18 and name HD1# ) 3.49 1.69 0.00 
assign ( resid   18 and name   HN )  ( resid   17 and name   HA ) 2.73 0.93 0.00 
assign ( resid   18 and name   HN )  ( resid   18 and name   HG ) 4.50 2.70 0.00 
assign ( resid   18 and name   HN )  ( resid   18 and name  HB1 ) 4.01 2.21 0.00 
assign ( resid   18 and name   HN )  ( resid   18 and name  HB2 ) 4.00 2.20 0.00 
assign ( resid   18 and name   HN )  ( resid   18 and name HD1# ) 5.02 3.22 0.00 
assign ( resid   18 and name   HN )  ( resid   18 and name HD2# ) 5.50 3.70 0.00 
assign ( resid   18 and name  HB1 )  ( resid   18 and name   HG ) 3.04 1.24 0.00 
assign ( resid   18 and name  HB1 )  ( resid   18 and name  HB2 ) 2.40 0.60 0.00 
assign ( resid   18 and name  HB1 )  ( resid   18 and name HD1# ) 3.65 1.85 0.00 
assign ( resid   18 and name  HB1 )  ( resid   18 and name HD2# ) 3.89 2.09 0.00 
assign ( resid   18 and name  HB1 )  ( resid   19 and name   HN ) 4.64 2.84 0.00 
assign ( resid   18 and name  HB2 )  ( resid   18 and name HD1# ) 3.37 1.57 0.00 
assign ( resid   18 and name  HB2 )  ( resid   18 and name HD2# ) 4.64 2.84 0.00 
assign ( resid   18 and name  HB2 )  ( resid   19 and name   HN ) 4.26 2.46 0.00 
assign ( resid   18 and name HD1# )  ( resid   18 and name HD2# ) 3.42 1.62 0.00 
assign ( resid   18 and name HD2# )  ( resid   18 and name   HG ) 3.95 2.15 0.00 
assign ( resid   18 and name HD2# )  ( resid   19 and name   HN ) 5.50 3.70 0.00 
assign ( resid   19 and name   HA )  ( resid   19 and name   HB ) 3.68 1.88 0.00 
assign ( resid   19 and name   HA )  ( resid   19 and name HG1# ) 3.37 1.57 0.00 
assign ( resid   19 and name   HA )  ( resid   19 and name HG2# ) 3.22 1.42 0.00 
assign ( resid   19 and name   HA )  ( resid   20 and name  HD2 ) 2.85 1.05 0.00 
assign ( resid   19 and name   HA )  ( resid   20 and name  HD2 ) 3.40 1.60 0.00 
assign ( resid   19 and name   HB )  ( resid   20 and name  HD2 ) 4.30 2.50 0.00 
assign ( resid   19 and name   HB )  ( resid   20 and name  HD2 ) 4.83 3.03 0.00 
assign ( resid   19 and name   HB )  ( resid   24 and name   HA ) 5.50 3.70 0.00 
assign ( resid   19 and name   HB )  ( resid   24 and name  HE# ) 3.44 1.64 0.00 
assign ( resid   19 and name   HB )  ( resid   24 and name  HG1 ) 5.01 3.21 0.00 
assign ( resid   19 and name   HB )  ( resid   24 and name  HG2 ) 5.24 3.44 0.00 
assign ( resid   19 and name   HN )  ( resid   18 and name   HA ) 2.78 0.98 0.00 
assign ( resid   19 and name   HN )  ( resid   19 and name   HB ) 4.00 2.20 0.00 
assign ( resid   19 and name   HN )  ( resid   19 and name HG1# ) 4.90 3.10 0.00 
assign ( resid   19 and name   HN )  ( resid   19 and name HG2# ) 3.47 1.67 0.00 
assign ( resid   19 and name HG1# )  ( resid   19 and name   HB ) 3.17 1.37 0.00 
assign ( resid   19 and name HG1# )  ( resid   20 and name  HD2 ) 3.32 1.52 0.00 
assign ( resid   19 and name HG1# )  ( resid   20 and name  HD2 ) 4.06 2.26 0.00 
assign ( resid   19 and name HG1# )  ( resid   23 and name   HA ) 5.50 3.70 0.00 
assign ( resid   19 and name HG1# )  ( resid   23 and name   HN ) 4.49 2.69 0.00 
assign ( resid   19 and name HG1# )  ( resid   23 and name  HB1 ) 3.90 2.10 0.00 
assign ( resid   19 and name HG1# )  ( resid   23 and name  HB2 ) 3.62 1.82 0.00 
assign ( resid   19 and name HG1# )  ( resid   24 and name   HA ) 3.34 1.54 0.00 
assign ( resid   19 and name HG1# )  ( resid   24 and name   HN ) 4.20 2.40 0.00 
assign ( resid   19 and name HG1# )  ( resid   24 and name  HE# ) 3.78 1.98 0.00 
assign ( resid   19 and name HG1# )  ( resid   24 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   19 and name HG1# )  ( resid   24 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   19 and name HG1# )  ( resid   27 and name   HN ) 4.79 2.99 0.00 
assign ( resid   19 and name HG1# )  ( resid   27 and name  HB1 ) 3.77 1.97 0.00 
assign ( resid   19 and name HG1# )  ( resid   27 and name  HB2 ) 3.49 1.69 0.00 
assign ( resid   19 and name HG2# )  ( resid   19 and name   HB ) 3.14 1.34 0.00 
assign ( resid   19 and name HG2# )  ( resid   19 and name HG1# ) 3.02 1.22 0.00 
assign ( resid   19 and name HG2# )  ( resid   20 and name  HD2 ) 5.39 3.59 0.00 
assign ( resid   19 and name HG2# )  ( resid   20 and name  HD2 ) 5.50 3.70 0.00 
assign ( resid   19 and name HG2# )  ( resid   24 and name   HA ) 5.50 3.70 0.00 
assign ( resid   19 and name HG2# )  ( resid   24 and name  HE# ) 4.68 2.88 0.00 
assign ( resid   19 and name HG2# )  ( resid   27 and name  HB1 ) 5.38 3.58 0.00 
assign ( resid   19 and name HG2# )  ( resid   27 and name  HB2 ) 4.91 3.11 0.00 
assign ( resid   19 and name HG2# )  ( resid   27 and name  HD2 ) 4.45 2.65 0.00 
assign ( resid   19 and name HG2# )  ( resid   27 and name  HE1 ) 3.89 2.09 0.00 
assign ( resid   20 and name   HA )  ( resid   20 and name  HG2 ) 4.79 2.99 0.00 
assign ( resid   20 and name   HA )  ( resid   21 and name   HN ) 2.79 0.99 0.00 
assign ( resid   20 and name   HA )  ( resid   22 and name   HN ) 5.50 3.70 0.00 
assign ( resid   20 and name   HA )  ( resid   23 and name   HN ) 5.50 3.70 0.00 
assign ( resid   20 and name  HB1 )  ( resid   20 and name   HA ) 3.37 1.57 0.00 
assign ( resid   20 and name  HB1 )  ( resid   20 and name  HB2 ) 2.84 1.04 0.00 
assign ( resid   20 and name  HB1 )  ( resid   20 and name  HD2 ) 4.80 3.00 0.00 
assign ( resid   20 and name  HB1 )  ( resid   20 and name  HD2 ) 4.80 3.00 0.00 
assign ( resid   20 and name  HB1 )  ( resid   21 and name   HN ) 4.67 2.87 0.00 
assign ( resid   20 and name  HB1 )  ( resid   22 and name   HN ) 5.50 3.70 0.00 
assign ( resid   20 and name  HB1 )  ( resid   22 and name  HE1 ) 5.50 3.70 0.00 
assign ( resid   20 and name  HB1 )  ( resid   23 and name   HN ) 5.50 3.70 0.00 
assign ( resid   20 and name  HB2 )  ( resid   20 and name   HA ) 3.95 2.15 0.00 
assign ( resid   20 and name  HB2 )  ( resid   20 and name  HD2 ) 4.11 2.31 0.00 
assign ( resid   20 and name  HB2 )  ( resid   20 and name  HD2 ) 5.06 3.26 0.00 
assign ( resid   20 and name  HB2 )  ( resid   21 and name   HN ) 4.75 2.95 0.00 
assign ( resid   20 and name  HB2 )  ( resid   23 and name  HB2 ) 4.00 2.20 0.00 
assign ( resid   20 and name  HD2 )  ( resid   20 and name  HG2 ) 3.48 1.68 0.00 
assign ( resid   20 and name  HD2 )  ( resid   23 and name  HB1 ) 4.48 2.68 0.00 
assign ( resid   20 and name  HD2 )  ( resid   23 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   20 and name  HD2 )  ( resid   23 and name  HB2 ) 4.00 2.20 0.00 
assign ( resid   20 and name  HD2 )  ( resid   23 and name  HB2 ) 5.20 3.40 0.00 
assign ( resid   20 and name  HG1 )  ( resid   20 and name   HA ) 4.01 2.21 0.00 
assign ( resid   20 and name  HG1 )  ( resid   20 and name  HD2 ) 3.35 1.55 0.00 
assign ( resid   20 and name  HG1 )  ( resid   20 and name  HD2 ) 3.89 2.09 0.00 
assign ( resid   20 and name  HG1 )  ( resid   20 and name  HG2 ) 2.44 0.64 0.00 
assign ( resid   20 and name  HG2 )  ( resid   20 and name  HD2 ) 3.40 1.60 0.00 
assign ( resid   20 and name  HG2 )  ( resid   22 and name  HE1 ) 5.50 3.70 0.00 
assign ( resid   20 and name  HG2 )  ( resid   23 and name   HN ) 5.16 3.36 0.00 
assign ( resid   21 and name   HA )  ( resid   21 and name   HB ) 3.09 1.29 0.00 
assign ( resid   21 and name   HA )  ( resid   21 and name HG1# ) 3.43 1.63 0.00 
assign ( resid   21 and name   HA )  ( resid   21 and name HG2# ) 3.56 1.76 0.00 
assign ( resid   21 and name   HA )  ( resid   24 and name   HN ) 4.76 2.96 0.00 
assign ( resid   21 and name   HA )  ( resid   24 and name  HB1 ) 5.43 3.63 0.00 
assign ( resid   21 and name   HA )  ( resid   24 and name  HB2 ) 3.86 2.06 0.00 
assign ( resid   21 and name   HA )  ( resid   24 and name  HG1 ) 5.21 3.41 0.00 
assign ( resid   21 and name   HA )  ( resid   24 and name  HG2 ) 4.66 2.86 0.00 
assign ( resid   21 and name   HB )  ( resid   22 and name   HN ) 4.25 2.45 0.00 
assign ( resid   21 and name   HN )  ( resid   21 and name   HA ) 3.31 1.51 0.00 
assign ( resid   21 and name   HN )  ( resid   21 and name   HB ) 4.00 2.20 0.00 
assign ( resid   21 and name   HN )  ( resid   21 and name HG1# ) 3.12 1.32 0.00 
assign ( resid   21 and name   HN )  ( resid   21 and name HG2# ) 3.75 1.95 0.00 
assign ( resid   21 and name   HN )  ( resid   22 and name   HN ) 4.03 2.23 0.00 
assign ( resid   21 and name   HN )  ( resid   23 and name   HN ) 5.50 3.70 0.00 
assign ( resid   21 and name HG1# )  ( resid   21 and name   HB ) 3.21 1.41 0.00 
assign ( resid   21 and name HG1# )  ( resid   22 and name  HE3 ) 5.50 3.70 0.00 
assign ( resid   21 and name HG1# )  ( resid   22 and name  HZ3 ) 5.50 3.70 0.00 
assign ( resid   21 and name HG2# )  ( resid   21 and name   HB ) 3.40 1.60 0.00 
assign ( resid   21 and name HG2# )  ( resid   21 and name HG1# ) 2.40 0.60 0.00 
assign ( resid   21 and name HG2# )  ( resid   22 and name   HN ) 4.00 2.20 0.00 
assign ( resid   21 and name HG2# )  ( resid   24 and name   HN ) 4.91 3.11 0.00 
assign ( resid   22 and name   HA )  ( resid   22 and name  HB1 ) 3.34 1.54 0.00 
assign ( resid   22 and name   HA )  ( resid   22 and name  HB2 ) 3.27 1.47 0.00 
assign ( resid   22 and name   HA )  ( resid   22 and name  HD1 ) 5.12 3.32 0.00 
assign ( resid   22 and name   HA )  ( resid   22 and name  HE3 ) 4.59 2.79 0.00 
assign ( resid   22 and name   HA )  ( resid   23 and name   HN ) 4.31 2.51 0.00 
assign ( resid   22 and name   HA )  ( resid   25 and name  HD1 ) 4.83 3.03 0.00 
assign ( resid   22 and name   HA )  ( resid   25 and name  HD2 ) 4.22 2.42 0.00 
assign ( resid   22 and name   HN )  ( resid   22 and name   HA ) 3.90 2.10 0.00 
assign ( resid   22 and name   HN )  ( resid   22 and name  HB1 ) 4.96 3.16 0.00 
assign ( resid   22 and name   HN )  ( resid   22 and name  HB2 ) 3.75 1.95 0.00 
assign ( resid   22 and name   HN )  ( resid   22 and name  HE3 ) 3.72 1.92 0.00 
assign ( resid   22 and name   HN )  ( resid   23 and name   HA ) 5.50 3.70 0.00 
assign ( resid   22 and name   HN )  ( resid   23 and name   HN ) 3.24 1.44 0.00 
assign ( resid   22 and name  HB1 )  ( resid   22 and name  HB2 ) 2.40 0.60 0.00 
assign ( resid   22 and name  HB1 )  ( resid   22 and name  HD1 ) 4.00 2.20 0.00 
assign ( resid   22 and name  HB1 )  ( resid   22 and name  HE3 ) 3.04 1.24 0.00 
assign ( resid   22 and name  HB1 )  ( resid   23 and name   HN ) 4.45 2.65 0.00 
assign ( resid   22 and name  HB2 )  ( resid   22 and name  HD1 ) 3.33 1.53 0.00 
assign ( resid   22 and name  HB2 )  ( resid   22 and name  HE3 ) 4.00 2.20 0.00 
assign ( resid   22 and name  HB2 )  ( resid   23 and name   HN ) 5.50 3.70 0.00 
assign ( resid   22 and name  HD1 )  ( resid   22 and name  HE1 ) 3.52 1.72 0.00 
assign ( resid   22 and name  HD1 )  ( resid   23 and name   HA ) 5.26 3.46 0.00 
assign ( resid   22 and name  HH2 )  ( resid   22 and name  HZ2 ) 2.40 0.60 0.00 
assign ( resid   22 and name  HH2 )  ( resid   22 and name  HZ3 ) 2.40 0.60 0.00 
assign ( resid   22 and name  HZ2 )  ( resid   22 and name  HE1 ) 4.23 2.43 0.00 
assign ( resid   22 and name  HZ3 )  ( resid   22 and name  HE3 ) 2.85 1.05 0.00 
assign ( resid   23 and name   HA )  ( resid   23 and name  HB1 ) 3.46 1.66 0.00 
assign ( resid   23 and name   HA )  ( resid   23 and name  HB2 ) 4.06 2.26 0.00 
assign ( resid   23 and name   HA )  ( resid   24 and name   HN ) 4.26 2.46 0.00 
assign ( resid   23 and name   HA )  ( resid   25 and name  HD1 ) 5.50 3.70 0.00 
assign ( resid   23 and name   HA )  ( resid   25 and name  HD2 ) 4.68 2.88 0.00 
assign ( resid   23 and name   HA )  ( resid   26 and name   HN ) 4.51 2.71 0.00 
assign ( resid   23 and name   HA )  ( resid   26 and name  HB1 ) 4.14 2.34 0.00 
assign ( resid   23 and name   HA )  ( resid   26 and name  HB2 ) 4.41 2.61 0.00 
assign ( resid   23 and name   HN )  ( resid   23 and name   HA ) 3.53 1.73 0.00 
assign ( resid   23 and name   HN )  ( resid   23 and name  HB1 ) 3.93 2.13 0.00 
assign ( resid   23 and name   HN )  ( resid   23 and name  HB2 ) 3.13 1.33 0.00 
assign ( resid   23 and name   HN )  ( resid   24 and name   HN ) 2.88 1.08 0.00 
assign ( resid   23 and name   HN )  ( resid   25 and name  HD1 ) 5.50 3.70 0.00 
assign ( resid   23 and name   HN )  ( resid   25 and name  HD2 ) 5.50 3.70 0.00 
assign ( resid   23 and name  HB1 )  ( resid   24 and name   HA ) 5.50 3.70 0.00 
assign ( resid   23 and name  HB1 )  ( resid   24 and name   HN ) 5.45 3.65 0.00 
assign ( resid   23 and name  HB1 )  ( resid   27 and name   HN ) 5.50 3.70 0.00 
assign ( resid   23 and name  HB2 )  ( resid   23 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   23 and name  HB2 )  ( resid   24 and name   HN ) 4.43 2.63 0.00 
assign ( resid   24 and name   HA )  ( resid   24 and name  HB1 ) 3.87 2.07 0.00 
assign ( resid   24 and name   HA )  ( resid   24 and name  HB2 ) 3.69 1.89 0.00 
assign ( resid   24 and name   HA )  ( resid   24 and name  HE# ) 3.55 1.75 0.00 
assign ( resid   24 and name   HA )  ( resid   24 and name  HG1 ) 4.87 3.07 0.00 
assign ( resid   24 and name   HA )  ( resid   24 and name  HG2 ) 4.38 2.58 0.00 
assign ( resid   24 and name   HA )  ( resid   27 and name   HN ) 3.94 2.14 0.00 
assign ( resid   24 and name   HA )  ( resid   27 and name  HB1 ) 3.01 1.21 0.00 
assign ( resid   24 and name   HA )  ( resid   27 and name  HB2 ) 3.88 2.08 0.00 
assign ( resid   24 and name   HA )  ( resid   28 and name   HN ) 4.59 2.79 0.00 
assign ( resid   24 and name   HN )  ( resid   24 and name   HA ) 3.37 1.57 0.00 
assign ( resid   24 and name   HN )  ( resid   24 and name  HB1 ) 3.80 2.00 0.00 
assign ( resid   24 and name   HN )  ( resid   24 and name  HB2 ) 3.03 1.23 0.00 
assign ( resid   24 and name   HN )  ( resid   24 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   24 and name   HN )  ( resid   24 and name  HG2 ) 4.56 2.76 0.00 
assign ( resid   24 and name   HN )  ( resid   25 and name  HD1 ) 3.42 1.62 0.00 
assign ( resid   24 and name   HN )  ( resid   25 and name  HD2 ) 3.59 1.79 0.00 
assign ( resid   24 and name  HB1 )  ( resid   19 and name HG1# ) 5.50 3.70 0.00 
assign ( resid   24 and name  HB1 )  ( resid   21 and name HG2# ) 5.50 3.70 0.00 
assign ( resid   24 and name  HB1 )  ( resid   24 and name  HB2 ) 2.76 0.96 0.00 
assign ( resid   24 and name  HB1 )  ( resid   24 and name  HG1 ) 3.51 1.71 0.00 
assign ( resid   24 and name  HB1 )  ( resid   24 and name  HG2 ) 3.36 1.56 0.00 
assign ( resid   24 and name  HB1 )  ( resid   25 and name  HD1 ) 3.15 1.35 0.00 
assign ( resid   24 and name  HB1 )  ( resid   25 and name  HD2 ) 4.28 2.48 0.00 
assign ( resid   24 and name  HB2 )  ( resid   19 and name HG1# ) 5.50 3.70 0.00 
assign ( resid   24 and name  HB2 )  ( resid   21 and name HG2# ) 5.50 3.70 0.00 
assign ( resid   24 and name  HB2 )  ( resid   24 and name  HG1 ) 4.16 2.36 0.00 
assign ( resid   24 and name  HB2 )  ( resid   24 and name  HG2 ) 3.91 2.11 0.00 
assign ( resid   24 and name  HB2 )  ( resid   25 and name  HD1 ) 3.35 1.55 0.00 
assign ( resid   24 and name  HB2 )  ( resid   25 and name  HD2 ) 3.35 1.55 0.00 
assign ( resid   24 and name  HE# )  ( resid   27 and name  HD2 ) 5.50 3.70 0.00 
assign ( resid   24 and name  HG1 )  ( resid   24 and name  HE# ) 3.94 2.14 0.00 
assign ( resid   24 and name  HG1 )  ( resid   24 and name  HG2 ) 2.40 0.60 0.00 
assign ( resid   24 and name  HG1 )  ( resid   25 and name  HD1 ) 5.50 3.70 0.00 
assign ( resid   24 and name  HG2 )  ( resid   24 and name  HE# ) 3.85 2.05 0.00 
assign ( resid   24 and name  HG2 )  ( resid   25 and name  HD1 ) 5.50 3.70 0.00 
assign ( resid   25 and name   HA )  ( resid   25 and name  HG1 ) 4.10 2.30 0.00 
assign ( resid   25 and name   HA )  ( resid   26 and name   HN ) 5.22 3.42 0.00 
assign ( resid   25 and name   HA )  ( resid   28 and name   HN ) 4.65 2.85 0.00 
assign ( resid   25 and name   HA )  ( resid   28 and name  HB1 ) 5.19 3.39 0.00 
assign ( resid   25 and name   HA )  ( resid   28 and name  HB2 ) 3.98 2.18 0.00 
assign ( resid   25 and name   HA )  ( resid   28 and name  HG# ) 4.89 3.09 0.00 
assign ( resid   25 and name   HA )  ( resid   29 and name   HN ) 5.50 3.70 0.00 
assign ( resid   25 and name  HB1 )  ( resid   25 and name   HA ) 3.71 1.91 0.00 
assign ( resid   25 and name  HB1 )  ( resid   25 and name  HB2 ) 2.47 0.67 0.00 
assign ( resid   25 and name  HB1 )  ( resid   26 and name   HN ) 4.50 2.70 0.00 
assign ( resid   25 and name  HB2 )  ( resid   25 and name   HA ) 3.26 1.46 0.00 
assign ( resid   25 and name  HB2 )  ( resid   26 and name   HN ) 4.54 2.74 0.00 
assign ( resid   25 and name  HD1 )  ( resid   25 and name   HA ) 4.56 2.76 0.00 
assign ( resid   25 and name  HD1 )  ( resid   26 and name   HN ) 4.93 3.13 0.00 
assign ( resid   25 and name  HD2 )  ( resid   25 and name   HA ) 5.01 3.21 0.00 
assign ( resid   25 and name  HD2 )  ( resid   25 and name  HD1 ) 2.41 0.61 0.00 
assign ( resid   25 and name  HD2 )  ( resid   26 and name   HN ) 3.65 1.85 0.00 
assign ( resid   25 and name  HD2 )  ( resid   27 and name   HN ) 5.50 3.70 0.00 
assign ( resid   26 and name   HA )  ( resid   26 and name  HB1 ) 3.40 1.60 0.00 
assign ( resid   26 and name   HA )  ( resid   26 and name  HB2 ) 3.72 1.92 0.00 
assign ( resid   26 and name   HA )  ( resid   26 and name  HG1 ) 4.80 3.00 0.00 
assign ( resid   26 and name   HA )  ( resid   26 and name  HG2 ) 3.91 2.11 0.00 
assign ( resid   26 and name   HA )  ( resid   27 and name   HN ) 5.04 3.24 0.00 
assign ( resid   26 and name   HA )  ( resid   29 and name   HN ) 4.06 2.26 0.00 
assign ( resid   26 and name   HA )  ( resid   29 and name  HB1 ) 3.28 1.48 0.00 
assign ( resid   26 and name   HA )  ( resid   29 and name  HB2 ) 4.33 2.53 0.00 
assign ( resid   26 and name   HA )  ( resid   30 and name   HN ) 5.50 3.70 0.00 
assign ( resid   26 and name   HN )  ( resid   26 and name   HA ) 3.32 1.52 0.00 
assign ( resid   26 and name   HN )  ( resid   26 and name  HB1 ) 3.87 2.07 0.00 
assign ( resid   26 and name   HN )  ( resid   26 and name  HB2 ) 3.87 2.07 0.00 
assign ( resid   26 and name   HN )  ( resid   26 and name  HG2 ) 4.03 2.23 0.00 
assign ( resid   26 and name   HN )  ( resid   27 and name   HA ) 5.50 3.70 0.00 
assign ( resid   26 and name   HN )  ( resid   27 and name   HN ) 3.39 1.59 0.00 
assign ( resid   26 and name  HB1 )  ( resid   26 and name  HB2 ) 2.40 0.60 0.00 
assign ( resid   26 and name  HB1 )  ( resid   26 and name  HG1 ) 3.37 1.57 0.00 
assign ( resid   26 and name  HB1 )  ( resid   26 and name  HG2 ) 3.03 1.23 0.00 
assign ( resid   26 and name  HB1 )  ( resid   27 and name   HN ) 4.95 3.15 0.00 
assign ( resid   26 and name  HB2 )  ( resid   26 and name  HG1 ) 3.34 1.54 0.00 
assign ( resid   26 and name  HB2 )  ( resid   26 and name  HG2 ) 2.54 0.74 0.00 
assign ( resid   26 and name  HB2 )  ( resid   27 and name   HN ) 3.66 1.86 0.00 
assign ( resid   26 and name  HG2 )  ( resid   26 and name  HG1 ) 2.40 0.60 0.00 
assign ( resid   26 and name  HG2 )  ( resid   27 and name   HN ) 5.50 3.70 0.00 
assign ( resid   27 and name   HA )  ( resid   27 and name  HB1 ) 3.88 2.08 0.00 
assign ( resid   27 and name   HA )  ( resid   27 and name  HB2 ) 3.24 1.44 0.00 
assign ( resid   27 and name   HA )  ( resid   28 and name   HN ) 4.62 2.82 0.00 
assign ( resid   27 and name   HA )  ( resid   30 and name   HN ) 4.06 2.26 0.00 
assign ( resid   27 and name   HA )  ( resid   30 and name  HB1 ) 3.56 1.76 0.00 
assign ( resid   27 and name   HA )  ( resid   30 and name  HB2 ) 3.53 1.73 0.00 
assign ( resid   27 and name   HA )  ( resid   30 and name  HD# ) 4.62 2.82 0.00 
assign ( resid   27 and name   HA )  ( resid   31 and name   HN ) 5.50 3.70 0.00 
assign ( resid   27 and name   HN )  ( resid   27 and name   HA ) 3.54 1.74 0.00 
assign ( resid   27 and name   HN )  ( resid   27 and name  HB1 ) 3.16 1.36 0.00 
assign ( resid   27 and name   HN )  ( resid   27 and name  HB2 ) 3.11 1.31 0.00 
assign ( resid   27 and name   HN )  ( resid   28 and name   HN ) 3.45 1.65 0.00 
assign ( resid   27 and name  HB1 )  ( resid   27 and name  HB2 ) 2.45 0.65 0.00 
assign ( resid   27 and name  HB1 )  ( resid   27 and name  HD2 ) 3.69 1.89 0.00 
assign ( resid   27 and name  HB1 )  ( resid   28 and name   HN ) 3.30 1.50 0.00 
assign ( resid   27 and name  HB2 )  ( resid   27 and name  HD2 ) 4.88 3.08 0.00 
assign ( resid   27 and name  HB2 )  ( resid   27 and name  HE1 ) 5.50 3.70 0.00 
assign ( resid   27 and name  HB2 )  ( resid   28 and name   HN ) 4.30 2.50 0.00 
assign ( resid   27 and name  HB2 )  ( resid   29 and name   HN ) 5.50 3.70 0.00 
assign ( resid   27 and name  HD2 )  ( resid   28 and name   HA ) 5.45 3.65 0.00 
assign ( resid   27 and name  HD2 )  ( resid   28 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   27 and name  HD2 )  ( resid   28 and name  HG# ) 5.50 3.70 0.00 
assign ( resid   27 and name  HD2 )  ( resid   31 and name  HD2 ) 3.20 1.40 0.00 
assign ( resid   28 and name   HA )  ( resid   28 and name  HB1 ) 3.46 1.66 0.00 
assign ( resid   28 and name   HA )  ( resid   28 and name  HB2 ) 4.11 2.31 0.00 
assign ( resid   28 and name   HA )  ( resid   28 and name  HE# ) 4.99 3.19 0.00 
assign ( resid   28 and name   HA )  ( resid   28 and name  HG# ) 3.90 2.10 0.00 
assign ( resid   28 and name   HA )  ( resid   29 and name   HN ) 4.93 3.13 0.00 
assign ( resid   28 and name   HA )  ( resid   30 and name   HN ) 5.50 3.70 0.00 
assign ( resid   28 and name   HA )  ( resid   31 and name   HN ) 4.01 2.21 0.00 
assign ( resid   28 and name   HA )  ( resid   31 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   28 and name   HA )  ( resid   31 and name  HB2 ) 4.03 2.23 0.00 
assign ( resid   28 and name   HA )  ( resid   31 and name  HD2 ) 3.04 1.24 0.00 
assign ( resid   28 and name   HA )  ( resid   32 and name   HN ) 5.50 3.70 0.00 
assign ( resid   28 and name   HN )  ( resid   28 and name   HA ) 3.64 1.84 0.00 
assign ( resid   28 and name   HN )  ( resid   28 and name  HB1 ) 4.00 2.20 0.00 
assign ( resid   28 and name   HN )  ( resid   28 and name  HB2 ) 3.60 1.80 0.00 
assign ( resid   28 and name   HN )  ( resid   28 and name  HG# ) 3.18 1.38 0.00 
assign ( resid   28 and name   HN )  ( resid   29 and name   HN ) 3.34 1.54 0.00 
assign ( resid   28 and name  HB1 )  ( resid   28 and name  HB2 ) 2.57 0.77 0.00 
assign ( resid   28 and name  HB1 )  ( resid   28 and name  HG# ) 3.27 1.47 0.00 
assign ( resid   28 and name  HB1 )  ( resid   29 and name   HN ) 4.41 2.61 0.00 
assign ( resid   28 and name  HB1 )  ( resid   32 and name   HN ) 6.00 4.20 0.00 
assign ( resid   28 and name  HB2 )  ( resid   28 and name  HG# ) 3.07 1.27 0.00 
assign ( resid   28 and name  HB2 )  ( resid   29 and name   HN ) 3.69 1.89 0.00 
assign ( resid   28 and name  HB2 )  ( resid   32 and name   HN ) 6.00 4.20 0.00 
assign ( resid   28 and name  HB2 )  ( resid   32 and name  HD# ) 5.50 3.70 0.00 
assign ( resid   28 and name  HB2 )  ( resid   32 and name  HD# ) 5.50 3.70 0.00 
assign ( resid   28 and name  HE# )  ( resid   31 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   28 and name  HE# )  ( resid   31 and name  HB2 ) 5.41 3.61 0.00 
assign ( resid   28 and name  HE# )  ( resid   31 and name  HD2 ) 4.92 3.12 0.00 
assign ( resid   28 and name  HE# )  ( resid   32 and name  HD# ) 5.19 3.39 0.00 
assign ( resid   28 and name  HG# )  ( resid   28 and name  HE# ) 3.76 1.96 0.00 
assign ( resid   28 and name  HG# )  ( resid   29 and name   HN ) 4.50 2.70 0.00 
assign ( resid   29 and name   HA )  ( resid   29 and name  HB1 ) 3.73 1.93 0.00 
assign ( resid   29 and name   HA )  ( resid   29 and name  HB2 ) 3.60 1.80 0.00 
assign ( resid   29 and name   HA )  ( resid   30 and name   HN ) 4.97 3.17 0.00 
assign ( resid   29 and name   HA )  ( resid   31 and name   HN ) 5.50 3.70 0.00 
assign ( resid   29 and name   HA )  ( resid   32 and name   HN ) 4.09 2.29 0.00 
assign ( resid   29 and name   HA )  ( resid   32 and name  HB1 ) 3.61 1.81 0.00 
assign ( resid   29 and name   HA )  ( resid   32 and name  HB2 ) 3.63 1.83 0.00 
assign ( resid   29 and name   HA )  ( resid   32 and name  HD# ) 4.00 2.20 0.00 
assign ( resid   29 and name   HA )  ( resid   33 and name   HN ) 5.50 3.70 0.00 
assign ( resid   29 and name   HN )  ( resid   29 and name   HA ) 3.48 1.68 0.00 
assign ( resid   29 and name   HN )  ( resid   29 and name  HB1 ) 3.46 1.66 0.00 
assign ( resid   29 and name   HN )  ( resid   29 and name  HB2 ) 3.77 1.97 0.00 
assign ( resid   29 and name   HN )  ( resid   30 and name   HN ) 3.42 1.62 0.00 
assign ( resid   29 and name   HN )  ( resid   31 and name   HN ) 5.50 3.70 0.00 
assign ( resid   29 and name  HB1 )  ( resid   30 and name   HN ) 3.69 1.89 0.00 
assign ( resid   29 and name  HB2 )  ( resid   29 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   29 and name  HB2 )  ( resid   30 and name   HN ) 4.35 2.55 0.00 
assign ( resid   30 and name   HA )  ( resid   30 and name  HB1 ) 3.87 2.07 0.00 
assign ( resid   30 and name   HA )  ( resid   30 and name  HB2 ) 3.44 1.64 0.00 
assign ( resid   30 and name   HA )  ( resid   30 and name  HD# ) 3.33 1.53 0.00 
assign ( resid   30 and name   HA )  ( resid   30 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   30 and name   HA )  ( resid   31 and name   HN ) 4.61 2.81 0.00 
assign ( resid   30 and name   HA )  ( resid   33 and name   HN ) 4.24 2.44 0.00 
assign ( resid   30 and name   HA )  ( resid   33 and name  HB# ) 3.63 1.83 0.00 
assign ( resid   30 and name   HN )  ( resid   30 and name   HA ) 3.44 1.64 0.00 
assign ( resid   30 and name   HN )  ( resid   30 and name  HB1 ) 3.52 1.72 0.00 
assign ( resid   30 and name   HN )  ( resid   30 and name  HB2 ) 3.20 1.40 0.00 
assign ( resid   30 and name   HN )  ( resid   31 and name   HN ) 3.44 1.64 0.00 
assign ( resid   30 and name   HN )  ( resid   32 and name   HN ) 4.85 3.05 0.00 
assign ( resid   30 and name  HB1 )  ( resid   30 and name  HD# ) 2.71 0.91 0.00 
assign ( resid   30 and name  HB1 )  ( resid   30 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   30 and name  HB1 )  ( resid   31 and name   HN ) 3.33 1.53 0.00 
assign ( resid   30 and name  HB2 )  ( resid   30 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   30 and name  HB2 )  ( resid   30 and name  HD# ) 3.45 1.65 0.00 
assign ( resid   30 and name  HB2 )  ( resid   30 and name  HE# ) 5.50 3.70 0.00 
assign ( resid   30 and name  HB2 )  ( resid   31 and name   HN ) 4.97 3.17 0.00 
assign ( resid   30 and name  HD# )  ( resid   30 and name  HE# ) 2.40 0.60 0.00 
assign ( resid   30 and name  HD# )  ( resid   31 and name   HA ) 5.18 3.38 0.00 
assign ( resid   30 and name  HD# )  ( resid   33 and name  HB# ) 4.79 2.99 0.00 
assign ( resid   30 and name  HD# )  ( resid   34 and name HD1# ) 5.46 3.66 0.00 
assign ( resid   30 and name  HD# )  ( resid   34 and name HD2# ) 5.50 3.70 0.00 
assign ( resid   30 and name  HE# )  ( resid   34 and name   HG ) 5.50 3.70 0.00 
assign ( resid   30 and name  HE# )  ( resid   34 and name HD1# ) 3.90 2.10 0.00 
assign ( resid   30 and name  HE# )  ( resid   34 and name HD2# ) 5.07 3.27 0.00 
assign ( resid   31 and name   HA )  ( resid   31 and name  HB1 ) 3.77 1.97 0.00 
assign ( resid   31 and name   HA )  ( resid   31 and name  HB2 ) 4.33 2.53 0.00 
assign ( resid   31 and name   HA )  ( resid   32 and name   HN ) 4.53 2.73 0.00 
assign ( resid   31 and name   HA )  ( resid   33 and name   HN ) 5.50 3.70 0.00 
assign ( resid   31 and name   HA )  ( resid   34 and name   HG ) 5.37 3.57 0.00 
assign ( resid   31 and name   HA )  ( resid   34 and name  HB1 ) 3.68 1.88 0.00 
assign ( resid   31 and name   HA )  ( resid   34 and name  HB2 ) 5.04 3.24 0.00 
assign ( resid   31 and name   HA )  ( resid   34 and name HD1# ) 4.91 3.11 0.00 
assign ( resid   31 and name   HN )  ( resid   31 and name   HA ) 3.53 1.73 0.00 
assign ( resid   31 and name   HN )  ( resid   31 and name  HB1 ) 3.91 2.11 0.00 
assign ( resid   31 and name   HN )  ( resid   31 and name  HB2 ) 3.99 2.19 0.00 
assign ( resid   31 and name   HN )  ( resid   32 and name   HN ) 3.39 1.59 0.00 
assign ( resid   31 and name   HN )  ( resid   33 and name   HN ) 4.65 2.85 0.00 
assign ( resid   31 and name   HN )  ( resid   33 and name  HB# ) 5.50 3.70 0.00 
assign ( resid   31 and name  HB1 )  ( resid   31 and name  HD2 ) 4.89 3.09 0.00 
assign ( resid   31 and name  HB1 )  ( resid   32 and name   HN ) 4.17 2.37 0.00 
assign ( resid   31 and name  HB2 )  ( resid   31 and name  HB1 ) 2.42 0.62 0.00 
assign ( resid   31 and name  HB2 )  ( resid   31 and name  HD2 ) 4.03 2.23 0.00 
assign ( resid   31 and name  HB2 )  ( resid   32 and name   HN ) 3.57 1.77 0.00 
assign ( resid   32 and name   HA )  ( resid   32 and name  HB1 ) 3.89 2.09 0.00 
assign ( resid   32 and name   HA )  ( resid   32 and name  HB2 ) 3.90 2.10 0.00 
assign ( resid   32 and name   HA )  ( resid   32 and name  HD# ) 3.39 1.59 0.00 
assign ( resid   32 and name   HA )  ( resid   33 and name   HN ) 4.02 2.22 0.00 
assign ( resid   32 and name   HA )  ( resid   35 and name   HN ) 4.51 2.71 0.00 
assign ( resid   32 and name   HA )  ( resid   35 and name  HB# ) 4.11 2.31 0.00 
assign ( resid   32 and name   HA )  ( resid   36 and name   HN ) 5.50 3.70 0.00 
assign ( resid   32 and name   HN )  ( resid   32 and name   HA ) 3.40 1.60 0.00 
assign ( resid   32 and name   HN )  ( resid   32 and name  HB1 ) 3.34 1.54 0.00 
assign ( resid   32 and name   HN )  ( resid   32 and name  HB2 ) 3.10 1.30 0.00 
assign ( resid   32 and name   HN )  ( resid   33 and name   HN ) 3.32 1.52 0.00 
assign ( resid   32 and name   HN )  ( resid   33 and name  HB# ) 5.50 3.70 0.00 
assign ( resid   32 and name  HB1 )  ( resid   32 and name  HB2 ) 2.44 0.64 0.00 
assign ( resid   32 and name  HB1 )  ( resid   32 and name  HD# ) 3.36 1.56 0.00 
assign ( resid   32 and name  HB1 )  ( resid   33 and name   HN ) 3.70 1.90 0.00 
assign ( resid   32 and name  HB2 )  ( resid   32 and name  HD# ) 3.21 1.41 0.00 
assign ( resid   32 and name  HB2 )  ( resid   33 and name   HN ) 3.87 2.07 0.00 
assign ( resid   33 and name   HA )  ( resid   33 and name  HB# ) 3.38 1.58 0.00 
assign ( resid   33 and name   HA )  ( resid   34 and name   HN ) 4.49 2.69 0.00 
assign ( resid   33 and name   HA )  ( resid   36 and name   HG ) 4.35 2.55 0.00 
assign ( resid   33 and name   HA )  ( resid   36 and name   HN ) 5.50 3.70 0.00 
assign ( resid   33 and name   HA )  ( resid   36 and name HD2# ) 5.22 3.42 0.00 
assign ( resid   33 and name   HN )  ( resid   33 and name   HA ) 3.28 1.48 0.00 
assign ( resid   33 and name   HN )  ( resid   33 and name  HB# ) 2.86 1.06 0.00 
assign ( resid   33 and name   HN )  ( resid   34 and name   HN ) 4.00 1.64 0.30 
assign ( resid   34 and name   HA )  ( resid   34 and name   HG ) 4.55 2.75 0.00 
assign ( resid   34 and name   HA )  ( resid   34 and name  HB1 ) 3.68 1.88 0.00 
assign ( resid   34 and name   HA )  ( resid   34 and name  HB2 ) 4.11 2.31 0.00 
assign ( resid   34 and name   HA )  ( resid   34 and name HD1# ) 5.50 3.70 0.00 
assign ( resid   34 and name   HA )  ( resid   34 and name HD2# ) 4.92 3.12 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name   HA ) 3.16 1.36 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name   HG ) 4.75 2.95 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name  HB1 ) 3.06 1.26 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name  HB2 ) 4.00 2.20 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name HD1# ) 5.28 3.48 0.00 
assign ( resid   34 and name   HN )  ( resid   34 and name HD2# ) 5.14 3.34 0.00 
assign ( resid   34 and name   HN )  ( resid   35 and name   HN ) 3.35 1.55 0.00 
assign ( resid   34 and name   HN )  ( resid   35 and name  HB# ) 5.50 3.70 0.00 
assign ( resid   34 and name   HN )  ( resid   35 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   34 and name  HB1 )  ( resid   34 and name   HG ) 3.50 1.70 0.00 
assign ( resid   34 and name  HB1 )  ( resid   34 and name HD1# ) 4.80 3.00 0.00 
assign ( resid   34 and name  HB1 )  ( resid   34 and name HD2# ) 4.74 2.94 0.00 
assign ( resid   34 and name  HB1 )  ( resid   35 and name   HN ) 3.56 1.76 0.00 
assign ( resid   34 and name  HB2 )  ( resid   34 and name   HG ) 3.50 1.70 0.00 
assign ( resid   34 and name  HB2 )  ( resid   34 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   34 and name  HB2 )  ( resid   34 and name HD1# ) 4.24 2.44 0.00 
assign ( resid   34 and name  HB2 )  ( resid   34 and name HD2# ) 4.54 2.74 0.00 
assign ( resid   34 and name  HB2 )  ( resid   35 and name   HN ) 3.83 2.03 0.00 
assign ( resid   34 and name HD1# )  ( resid   34 and name   HG ) 3.91 2.11 0.00 
assign ( resid   34 and name HD1# )  ( resid   34 and name HD2# ) 3.31 1.51 0.00 
assign ( resid   34 and name HD2# )  ( resid   34 and name   HG ) 3.83 2.03 0.00 
assign ( resid   35 and name   HA )  ( resid   35 and name  HB# ) 3.59 1.79 0.00 
assign ( resid   35 and name   HA )  ( resid   35 and name  HG1 ) 4.65 2.85 0.00 
assign ( resid   35 and name   HA )  ( resid   35 and name  HG2 ) 4.06 2.26 0.00 
assign ( resid   35 and name   HA )  ( resid   36 and name   HN ) 3.59 1.79 0.00 
assign ( resid   35 and name   HA )  ( resid   38 and name   HN ) 5.50 3.70 0.00 
assign ( resid   35 and name   HN )  ( resid   35 and name   HA ) 3.13 1.33 0.00 
assign ( resid   35 and name   HN )  ( resid   35 and name  HB# ) 2.95 1.15 0.00 
assign ( resid   35 and name   HN )  ( resid   35 and name  HG1 ) 3.44 1.64 0.00 
assign ( resid   35 and name   HN )  ( resid   35 and name  HG2 ) 4.44 2.64 0.00 
assign ( resid   35 and name   HN )  ( resid   36 and name   HN ) 2.95 1.15 0.00 
assign ( resid   35 and name   HN )  ( resid   37 and name   HN ) 4.30 2.50 0.30  
assign ( resid   35 and name  HB# )  ( resid   35 and name  HG1 ) 3.87 2.07 0.00 
assign ( resid   35 and name  HB# )  ( resid   35 and name  HG2 ) 3.18 1.38 0.00 
assign ( resid   35 and name  HB# )  ( resid   36 and name   HN ) 3.60 1.80 0.00 
assign ( resid   35 and name  HG1 )  ( resid   36 and name   HN ) 5.50 3.70 0.00 
assign ( resid   35 and name  HG2 )  ( resid   35 and name  HG1 ) 2.47 0.67 0.00 
assign ( resid   36 and name   HA )  ( resid   36 and name   HG ) 4.75 2.95 0.00 
assign ( resid   36 and name   HA )  ( resid   36 and name  HB1 ) 4.82 3.02 0.00 
assign ( resid   36 and name   HA )  ( resid   36 and name  HB2 ) 4.52 2.72 0.00 
assign ( resid   36 and name   HA )  ( resid   36 and name HD1# ) 5.42 3.62 0.00 
assign ( resid   36 and name   HA )  ( resid   36 and name HD2# ) 4.28 2.48 0.00 
assign ( resid   36 and name   HA )  ( resid   37 and name   HN ) 3.40 1.60 0.00 
assign ( resid   36 and name   HG )  ( resid   36 and name HD1# ) 4.11 2.31 0.00 
assign ( resid   36 and name   HG )  ( resid   36 and name HD2# ) 3.92 2.12 0.00 
assign ( resid   36 and name   HN )  ( resid   36 and name   HA ) 3.62 1.82 0.00 
assign ( resid   36 and name   HN )  ( resid   36 and name  HB1 ) 2.87 1.07 0.00 
assign ( resid   36 and name   HN )  ( resid   36 and name  HB2 ) 3.91 2.11 0.00 
assign ( resid   36 and name   HN )  ( resid   36 and name HD1# ) 4.93 3.13 0.00 
assign ( resid   36 and name   HN )  ( resid   36 and name HD2# ) 5.50 3.70 0.00 
assign ( resid   36 and name   HN )  ( resid   37 and name   HN ) 2.89 1.09 0.00 
assign ( resid   36 and name  HB1 )  ( resid   36 and name   HG ) 3.40 1.60 0.00 
assign ( resid   36 and name  HB1 )  ( resid   36 and name HD1# ) 5.44 3.64 0.00 
assign ( resid   36 and name  HB1 )  ( resid   36 and name HD2# ) 3.88 2.08 0.00 
assign ( resid   36 and name  HB2 )  ( resid   36 and name   HG ) 3.40 1.60 0.00 
assign ( resid   36 and name  HB2 )  ( resid   36 and name  HB1 ) 2.40 0.60 0.00 
assign ( resid   36 and name  HB2 )  ( resid   36 and name HD1# ) 4.61 2.81 0.00 
assign ( resid   36 and name  HB2 )  ( resid   36 and name HD2# ) 4.11 2.31 0.00 
assign ( resid   36 and name HD1# )  ( resid   36 and name HD2# ) 2.40 0.60 0.00 
assign ( resid   36 and name HD1# )  ( resid   37 and name   HN ) 5.50 3.70 0.00 
assign ( resid   37 and name   HA )  ( resid   37 and name  HB1 ) 3.86 2.06 0.00 
assign ( resid   37 and name   HA )  ( resid   37 and name  HB2 ) 4.57 2.77 0.00 
assign ( resid   37 and name   HA )  ( resid   37 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   37 and name   HA )  ( resid   37 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   37 and name   HA )  ( resid   38 and name   HN ) 3.66 1.86 0.00 
assign ( resid   37 and name   HA )  ( resid   39 and name   HN ) 5.20 3.40 0.00 
assign ( resid   37 and name   HN )  ( resid   37 and name   HA ) 3.67 1.87 0.00 
assign ( resid   37 and name   HN )  ( resid   37 and name  HB1 ) 4.05 2.25 0.00 
assign ( resid   37 and name   HN )  ( resid   37 and name  HB2 ) 3.09 1.29 0.00 
assign ( resid   37 and name   HN )  ( resid   37 and name  HG1 ) 4.15 2.35 0.00 
assign ( resid   37 and name   HN )  ( resid   37 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   37 and name   HN )  ( resid   38 and name   HN ) 3.63 1.83 0.00 
assign ( resid   37 and name   HN )  ( resid   39 and name   HN ) 4.30 2.50 0.30  
assign ( resid   37 and name  HB1 )  ( resid   37 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   37 and name  HB1 )  ( resid   37 and name  HG2 ) 3.74 1.94 0.00 
assign ( resid   37 and name  HB1 )  ( resid   38 and name   HN ) 5.50 3.70 0.00 
assign ( resid   37 and name  HB2 )  ( resid   37 and name  HB1 ) 2.57 0.77 0.00 
assign ( resid   37 and name  HB2 )  ( resid   37 and name  HG1 ) 4.70 2.90 0.00 
assign ( resid   37 and name  HB2 )  ( resid   37 and name  HG2 ) 4.11 2.31 0.00 
assign ( resid   37 and name  HB2 )  ( resid   38 and name   HN ) 5.28 3.48 0.00 
assign ( resid   37 and name  HG1 )  ( resid   37 and name  HG2 ) 2.44 0.64 0.00 
assign ( resid   37 and name HE21 )  ( resid   37 and name HE22 ) 2.40 0.60 0.00 
assign ( resid   38 and name   HA )  ( resid   38 and name  HB1 ) 5.50 3.70 0.00 
assign ( resid   38 and name   HA )  ( resid   38 and name  HB2 ) 5.04 3.24 0.00 
assign ( resid   38 and name   HA )  ( resid   38 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   38 and name   HA )  ( resid   38 and name  HG2 ) 5.50 3.70 0.00 
assign ( resid   38 and name   HA )  ( resid   39 and name   HN ) 4.32 2.52 0.00 
assign ( resid   38 and name   HN )  ( resid   38 and name   HA ) 4.20 2.40 0.00 
assign ( resid   38 and name   HN )  ( resid   38 and name  HB1 ) 4.17 2.37 0.00 
assign ( resid   38 and name   HN )  ( resid   38 and name  HB2 ) 5.06 3.26 0.00 
assign ( resid   38 and name   HN )  ( resid   38 and name  HG1 ) 5.50 3.70 0.00 
assign ( resid   38 and name   HN )  ( resid   38 and name  HG2 ) 5.29 3.49 0.00 
assign ( resid   38 and name   HN )  ( resid   39 and name   HN ) 3.61 1.81 0.00 
assign ( resid   38 and name  HB1 )  ( resid   38 and name  HB2 ) 2.60 0.80 0.00 
assign ( resid   38 and name  HB2 )  ( resid   39 and name   HN ) 5.50 3.70 0.00 
assign ( resid   38 and name  HG1 )  ( resid   38 and name  HD# ) 3.01 1.21 0.00 
assign ( resid   38 and name  HG1 )  ( resid   38 and name  HG2 ) 2.40 0.60 0.00 
assign ( resid   38 and name  HG2 )  ( resid   38 and name  HD# ) 3.43 1.63 0.00 
assign ( resid   39 and name   HN )  ( resid   39 and name   HA ) 4.06 2.26 0.00 
assign ( resid   39 and name   HN )  ( resid   39 and name  HB# ) 5.33 3.53 0.00 


! Constraints to maintain zinc-ligand geometry

assign ( resid   12 and name   SG )  ( resid   15 and name   SG ) 3.50 1.70 0.30 
assign ( resid   12 and name   SG )  ( resid   31 and name  NE2 ) 3.50 1.70 0.30 
assign ( resid   15 and name   SG )  ( resid   31 and name  NE2 ) 3.50 1.70 0.30 
assign ( resid   12 and name   SG )  ( resid   27 and name  NE2 ) 3.50 1.70 0.30 
assign ( resid   15 and name   SG )  ( resid   27 and name  NE2 ) 3.50 1.70 0.30 
assign ( resid   31 and name  NE2 )  ( resid   27 and name  NE2 ) 3.50 1.70 0.30 


! H-bond constraints

assign ( resid   8  and name   O   )   ( resid  21 and name   HN ) 2.00 0.20 0.00
assign ( resid   8  and name   O   )   ( resid  21 and name    N ) 3.00 1.20 0.00

assign ( resid  10  and name   HN  )   ( resid  19 and name    O ) 2.00 0.20 0.00
assign ( resid  10  and name    N  )   ( resid  19 and name    O ) 3.00 1.20 0.00

assign ( resid  10  and name   O   )   ( resid  19 and name   HN ) 2.00 0.20 0.00
assign ( resid  10  and name   O   )   ( resid  19 and name    N ) 3.00 1.20 0.00

assign ( resid  12  and name   HN  )   ( resid  17 and name    O ) 2.00 0.20 0.00
assign ( resid  12  and name    N  )   ( resid  17 and name    O ) 3.00 1.20 0.00

assign ( resid  12  and name   O   )   ( resid  16 and name   HN ) 2.00 0.20 0.00
assign ( resid  12  and name   O   )   ( resid  16 and name    N ) 3.00 1.20 0.00

assign ( resid  23  and name   O   )   ( resid  27 and name   HN ) 2.00 0.20 0.00
assign ( resid  23  and name   O   )   ( resid  27 and name    N ) 3.00 1.20 0.00

assign ( resid  24  and name   O   )   ( resid  28 and name   HN ) 2.00 0.20 0.00
assign ( resid  24  and name   O   )   ( resid  28 and name    N ) 3.00 1.20 0.00

assign ( resid  25  and name   O   )   ( resid  29 and name   HN ) 2.00 0.20 0.00
assign ( resid  25  and name   O   )   ( resid  29 and name    N ) 3.00 1.20 0.00

assign ( resid  26  and name   O   )   ( resid  30 and name   HN ) 2.00 0.20 0.20
assign ( resid  26  and name   O   )   ( resid  30 and name    N ) 3.00 1.20 0.20

assign ( resid  27  and name   O   )   ( resid  31 and name   HN ) 2.00 0.20 0.20
assign ( resid  27  and name   O   )   ( resid  31 and name    N ) 3.00 1.20 0.20

assign ( resid  28  and name   O   )   ( resid  32 and name   HN ) 2.00 0.20 0.00
assign ( resid  28  and name   O   )   ( resid  32 and name    N ) 3.00 1.20 0.00

assign ( resid  29  and name   O   )   ( resid  33 and name   HN ) 2.00 0.20 0.00
assign ( resid  29  and name   O   )   ( resid  33 and name    N ) 3.00 1.20 0.00

assign ( resid  30  and name   O   )   ( resid  34 and name   HN ) 2.00 0.20 0.00
assign ( resid  30  and name   O   )   ( resid  34 and name    N ) 3.00 1.20 0.00

assign ( resid  31  and name   O   )   ( resid  35 and name   HN ) 2.00 0.20 0.00
assign ( resid  31  and name   O   )   ( resid  35 and name    N ) 3.00 1.20 0.00

assign ( resid  32  and name   O   )   ( resid  36 and name   HN ) 2.00 0.20 0.00
assign ( resid  32  and name   O   )   ( resid  36 and name    N ) 3.00 1.20 0.00


! Backbone Dihedral angle constraints

assign (resid   7 and name C  )   (resid   8 and name N  ) 
       (resid   8 and name CA )   (resid   8 and name C  )  1.0 -120.0  25.0 2  

assign (resid   8 and name C  )   (resid   9 and name N  ) 
       (resid   9 and name CA )   (resid   9 and name C  )  1.0 -133.0  39.0 2 
assign (resid   9 and name N  )   (resid   9 and name CA ) 
       (resid   9 and name C  )   (resid  10 and name N  )  1.0  146.0  42.0 2 

assign (resid   9 and name C  )   (resid  10 and name N  ) 
       (resid  10 and name CA )   (resid  10 and name C  )  1.0 -122.0  24.0 2 
assign (resid  10 and name N  )   (resid  10 and name CA ) 
       (resid  10 and name C  )   (resid  11 and name N  )  1.0  120.0  60.0 2  

assign (resid  10 and name C  )   (resid  11 and name N  ) 
       (resid  11 and name CA )   (resid  11 and name C  )  1.0  -68.0  27.0 2 
assign (resid  11 and name N  )   (resid  11 and name CA ) 
       (resid  11 and name C  )   (resid  12 and name N  )  1.0  136.0  24.0 2  

assign (resid  11 and name C  )   (resid  12 and name N  ) 
       (resid  12 and name CA )   (resid  12 and name C  )  1.0  -64.0  10.0 2  
assign (resid  12 and name N  )   (resid  12 and name CA ) 
       (resid  12 and name C  )   (resid  13 and name N  )  1.0  128.0  30.0 2  

assign (resid  12 and name C  )   (resid  13 and name N  ) 
       (resid  13 and name CA )   (resid  13 and name C  )  1.0  -68.0  30.0 2 
assign (resid  13 and name N  )   (resid  13 and name CA ) 
       (resid  13 and name C  )   (resid  14 and name N  )  1.0  -20.0  36.0 2 

assign (resid  13 and name C  )   (resid  14 and name N  ) 
       (resid  14 and name CA )   (resid  14 and name C  )  1.0  -97.0  36.0 2  
assign (resid  14 and name N  )   (resid  14 and name CA ) 
       (resid  14 and name C  )   (resid  15 and name N  )  1.0  -30.0  20.0 2  

assign (resid  14 and name C  )   (resid  15 and name N  ) 
       (resid  15 and name CA )   (resid  15 and name C  )  1.0 -106.0  36.0 2 
assign (resid  15 and name N  )   (resid  15 and name CA ) 
       (resid  15 and name C  )   (resid  16 and name N  )  1.0  -12.0  33.0 2 

assign (resid  15 and name C  )   (resid  16 and name N  ) 
       (resid  16 and name CA )   (resid  16 and name C  )  1.0   68.0  32.0 2  
assign (resid  16 and name N  )   (resid  16 and name CA ) 
       (resid  16 and name C  )   (resid  17 and name N  )  1.0  -56.0 120.0 2  

assign (resid  16 and name C  )   (resid  17 and name N  ) 
       (resid  17 and name CA )   (resid  17 and name C  )  1.0 -102.0  80.0 2  
assign (resid  17 and name N  )   (resid  17 and name CA ) 
       (resid  17 and name C  )   (resid  18 and name N  )  1.0  144.0  30.0 2  

assign (resid  17 and name C  )   (resid  18 and name N  ) 
       (resid  18 and name CA )   (resid  18 and name C  )  1.0  -89.0  72.0 2 
assign (resid  18 and name N  )   (resid  18 and name CA ) 
       (resid  18 and name C  )   (resid  19 and name N  )  1.0  129.0  51.0 2 

assign (resid  18 and name C  )   (resid  19 and name N  ) 
       (resid  19 and name CA )   (resid  19 and name C  )  1.0 -115.0  50.0 2  
assign (resid  19 and name N  )   (resid  19 and name CA ) 
       (resid  19 and name C  )   (resid  20 and name N  )  1.0  135.0  54.0 2 

assign (resid  19 and name C  )   (resid  20 and name N  ) 
       (resid  20 and name CA )   (resid  20 and name C  )  1.0  -62.0  27.0 2  
assign (resid  20 and name N  )   (resid  20 and name CA ) 
       (resid  20 and name C  )   (resid  21 and name N  )  1.0  137.0  21.0 2 

assign (resid  20 and name C  )   (resid  21 and name N  ) 
       (resid  21 and name CA )   (resid  21 and name C  )  1.0  -60.0  18.0 2 
assign (resid  21 and name N  )   (resid  21 and name CA ) 
       (resid  21 and name C  )   (resid  22 and name N  )  1.0  -32.0  27.0 2 

assign (resid  21 and name C  )   (resid  22 and name N  ) 
       (resid  22 and name CA )   (resid  22 and name C  )  1.0  -81.0  42.0 2 
assign (resid  22 and name N  )   (resid  22 and name CA ) 
       (resid  22 and name C  )   (resid  23 and name N  )  1.0   -4.0  57.0 2 

assign (resid  22 and name C  )   (resid  23 and name N  ) 
       (resid  23 and name CA )   (resid  23 and name C  )  1.0 -120.0  30.0 2  

assign (resid  23 and name C  )   (resid  24 and name N  ) 
       (resid  24 and name CA )   (resid  24 and name C  )  1.0  -58.0  27.0 2 
assign (resid  24 and name N  )   (resid  24 and name CA ) 
       (resid  24 and name C  )   (resid  25 and name N  )  1.0  -42.0  30.0 2 

assign (resid  24 and name C  )   (resid  25 and name N  ) 
       (resid  25 and name CA )   (resid  25 and name C  )  1.0  -61.0  12.0 2 
assign (resid  25 and name N  )   (resid  25 and name CA ) 
       (resid  25 and name C  )   (resid  26 and name N  )  1.0  -34.0  24.0 2 

assign (resid  25 and name C  )   (resid  26 and name N  ) 
       (resid  26 and name CA )   (resid  26 and name C  )  1.0  -65.0  18.0 2 
assign (resid  26 and name N  )   (resid  26 and name CA ) 
       (resid  26 and name C  )   (resid  27 and name N  )  1.0  -40.0  18.0 2 

assign (resid  26 and name C  )   (resid  27 and name N  ) 
       (resid  27 and name CA )   (resid  27 and name C  )  1.0  -64.0  18.0 2 
assign (resid  27 and name N  )   (resid  27 and name CA ) 
       (resid  27 and name C  )   (resid  28 and name N  )  1.0  -44.0  12.0 2 

assign (resid  27 and name C  )   (resid  28 and name N  ) 
       (resid  28 and name CA )   (resid  28 and name C  )  1.0  -63.0  15.0 2 
assign (resid  28 and name N  )   (resid  28 and name CA ) 
       (resid  28 and name C  )   (resid  29 and name N  )  1.0  -38.0  18.0 2 

assign (resid  28 and name C  )   (resid  29 and name N  ) 
       (resid  29 and name CA )   (resid  29 and name C  )  1.0  -67.0  21.0 2 
assign (resid  29 and name N  )   (resid  29 and name CA ) 
       (resid  29 and name C  )   (resid  30 and name N  )  1.0  -37.0  30.0 2 

assign (resid  29 and name C  )   (resid  30 and name N  ) 
       (resid  30 and name CA )   (resid  30 and name C  )  1.0  -69.0  21.0 2 
assign (resid  30 and name N  )   (resid  30 and name CA ) 
       (resid  30 and name C  )   (resid  31 and name N  )  1.0  -39.0  18.0 2 

assign (resid  30 and name C  )   (resid  31 and name N  ) 
       (resid  31 and name CA )   (resid  31 and name C  )  1.0  -61.0  21.0 2 
assign (resid  31 and name N  )   (resid  31 and name CA ) 
       (resid  31 and name C  )   (resid  32 and name N  )  1.0  -38.0  30.0 2 

assign (resid  31 and name C  )   (resid  32 and name N  ) 
       (resid  32 and name CA )   (resid  32 and name C  )  1.0  -65.0  15.0 2 
assign (resid  32 and name N  )   (resid  32 and name CA ) 
       (resid  32 and name C  )   (resid  33 and name N  )  1.0  -43.0  15.0 2 

assign (resid  32 and name C  )   (resid  33 and name N  ) 
       (resid  33 and name CA )   (resid  33 and name C  )  1.0  -63.0  24.0 2 
assign (resid  33 and name N  )   (resid  33 and name CA ) 
       (resid  33 and name C  )   (resid  34 and name N  )  1.0  -37.0  33.0 2 

assign (resid  33 and name C  )   (resid  34 and name N  ) 
       (resid  34 and name CA )   (resid  34 and name C  )  1.0  -65.0  21.0 2 
assign (resid  34 and name N  )   (resid  34 and name CA ) 
       (resid  34 and name C  )   (resid  35 and name N  )  1.0  -36.0  15.0 2 

assign (resid  34 and name C  )   (resid  35 and name N  ) 
       (resid  35 and name CA )   (resid  35 and name C  )  1.0  -65.0  33.0 2 
assign (resid  35 and name N  )   (resid  35 and name CA ) 
       (resid  35 and name C  )   (resid  36 and name N  )  1.0  -32.0  39.0 2 

assign (resid  35 and name C  )   (resid  36 and name N  ) 
       (resid  36 and name CA )   (resid  36 and name C  )  1.0  -73.0  45.0 2 
assign (resid  36 and name N  )   (resid  36 and name CA ) 
       (resid  36 and name C  )   (resid  37 and name N  )  1.0  -28.0  42.0 2  

assign (resid  36 and name C  )   (resid  37 and name N  ) 
       (resid  37 and name CA )   (resid  37 and name C  )  1.0  -72.0  16.0 2 
assign (resid  37 and name N  )   (resid  37 and name CA ) 
       (resid  37 and name C  )   (resid  38 and name N  )  1.0  -27.7  24.2 2 


! sidechain rotamers based on NOE patterns

assign (resid   7 and name N  )   (resid   7 and name CA ) 
       (resid   7 and name CB )   (resid   7 and name CG )  1.0  -65.0  21.0 2 

assign (resid   8 and name N  )   (resid   8 and name CA ) 
       (resid   8 and name CB )   (resid   8 and name CG )  1.0  -70.0  15.0 2 

assign (resid   9 and name N  )   (resid   9 and name CA ) 
       (resid   9 and name CB )   (resid   9 and name CG )  1.0  -65.0  24.0 2 

assign (resid  10 and name N  )   (resid  10 and name CA ) 
       (resid  10 and name CB )   (resid  10 and name CG1)  1.0  -60.0  11.0 2 

assign (resid  12 and name N  )   (resid  12 and name CA ) 
       (resid  12 and name CB )   (resid  12 and name SG )  1.0 -177.0  15.0 2 

assign (resid  14 and name N  )   (resid  14 and name CA ) 
       (resid  14 and name CB )   (resid  14 and name CG )  1.0  -65.0  21.0 2 

assign (resid  15 and name N  )   (resid  15 and name CA ) 
       (resid  15 and name CB )   (resid  15 and name SG )  1.0   62.0  21.0 2 

assign (resid  17 and name N  )   (resid  17 and name CA ) 
       (resid  17 and name CB )   (resid  17 and name OG )  1.0  -65.0  14.0 2 

assign (resid  18 and name N  )   (resid  18 and name CA ) 
       (resid  18 and name CB )   (resid  18 and name CG )  1.0  -65.0  17.0 2 

assign (resid  19 and name N  )   (resid  19 and name CA ) 
       (resid  19 and name CB )   (resid  19 and name CG1)  1.0  175.0  12.0 2 

assign (resid  21 and name N  )   (resid  21 and name CA ) 
       (resid  21 and name CB )   (resid  21 and name CG1)  1.0   63.0  12.0 2 

assign (resid  23 and name N  )   (resid  23 and name CA ) 
       (resid  23 and name CB )   (resid  23 and name CG )  1.0  -70.0  15.0 2 

assign (resid  26 and name N  )   (resid  26 and name CA ) 
       (resid  26 and name CB )   (resid  26 and name CG )  1.0  -65.0  21.0 2 

assign (resid  27 and name N  )   (resid  27 and name CA ) 
       (resid  27 and name CB )   (resid  27 and name CG )  1.0 -177.0  20.0 2 

assign (resid  28 and name N  )   (resid  28 and name CA ) 
       (resid  28 and name CB )   (resid  28 and name CG )  1.0  -65.0  18.0 2 

assign (resid  29 and name N  )   (resid  29 and name CA ) 
       (resid  29 and name CB )   (resid  29 and name CG )  1.0 -177.0  18.0 2 

assign (resid  30 and name N  )   (resid  30 and name CA ) 
       (resid  30 and name CB )   (resid  30 and name CG )  1.0 -177.0  17.0 2 

assign (resid  31 and name N  )   (resid  31 and name CA ) 
       (resid  31 and name CB )   (resid  31 and name CG )  1.0  -65.0  17.0 2 

assign (resid  34 and name N  )   (resid  34 and name CA ) 
       (resid  34 and name CB )   (resid  34 and name CG )  1.0  -177.0 15.0 2 
assign (resid  34 and name CA )   (resid  34 and name CB ) 
       (resid  34 and name CG )   (resid  34 and name CD1)  1.0   65.0  15.0 2 

assign (resid  35 and name N  )   (resid  35 and name CA ) 
       (resid  35 and name CB )   (resid  35 and name CG )  1.0  -65.0  21.0 2 

assign (resid  36 and name N  )   (resid  36 and name CA ) 
       (resid  36 and name CB )   (resid  36 and name CG )  1.0 -175.0  20.0 2 

assign (resid  37 and name N  )   (resid  37 and name CA ) 
       (resid  37 and name CB )   (resid  37 and name CG )  1.0  -65.0  24.0 2 

assign (resid  38 and name N  )   (resid  38 and name CA ) 
       (resid  38 and name CB )   (resid  38 and name CG )  1.0   62.0  20.0 2 


! RDC(HN), estimated error (3*sigma) of +/- 1.0 Hz

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   9  and name N   ) 
       ( resid   9  and name HN  ) 7.50 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  10  and name N   ) 
       ( resid  10  and name HN  ) 4.00 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  12  and name N   ) 
       ( resid  12  and name HN  ) -14.90 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  13  and name N   ) 
       ( resid  13  and name HN  ) -9.70 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  14  and name N   ) 
       ( resid  14  and name HN  ) -0.10 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  15  and name N   ) 
       ( resid  15  and name HN  ) 0.00 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  16  and name N   ) 
       ( resid  16  and name HN  ) -15.60 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  17  and name N   ) 
       ( resid  17  and name HN  ) 14.00 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  19  and name N   ) 
       ( resid  19  and name HN  ) -9.80 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  21  and name N   ) 
       ( resid  21  and name HN  ) 14.60 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  22  and name N   ) 
       ( resid  22  and name HN  ) 5.20 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  23  and name N   ) 
       ( resid  23  and name HN  ) 4.40 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  24  and name N   ) 
       ( resid  24  and name HN  ) 17.00 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  26  and name N   ) 
       ( resid  26  and name HN  ) 16.40 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  27  and name N   ) 
       ( resid  27  and name HN  ) 15.80 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  28  and name N   ) 
       ( resid  28  and name HN  ) 10.20 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  29  and name N   ) 
       ( resid  29  and name HN  ) 12.70 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  30  and name N   ) 
       ( resid  30  and name HN  ) 19.30 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  31  and name N   ) 
       ( resid  31  and name HN  ) 14.50 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  32  and name N   ) 
       ( resid  32  and name HN  ) 11.90 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  33  and name N   ) 
       ( resid  33  and name HN  ) 14.90 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  34  and name N   ) 
       ( resid  34  and name HN  ) 16.90 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  35  and name N   ) 
       ( resid  35  and name HN  ) 8.50 1.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  36  and name N   ) 
       ( resid  36  and name HN  ) 6.60 1.0 


! RDCs were converted with a scaling factor of -0.4980.
! Error (3*sigma) was estimated to be +/- 2.0 Hz after conversion

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   8  and name CA  ) 
       ( resid   8  and name HA  ) -7.97 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   9  and name CA  ) 
       ( resid   9  and name HA  ) 4.88 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  11  and name CA  ) 
       ( resid  11  and name HA  ) -14.69 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  12  and name CA  ) 
       ( resid  12  and name HA  ) -13.79 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  13  and name CA  ) 
       ( resid  13  and name HA  ) 3.73 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  14  and name CA  ) 
       ( resid  14  and name HA  ) -2.14 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  18  and name CA  ) 
       ( resid  18  and name HA  ) -14.99 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  20  and name CA  ) 
       ( resid  20  and name HA  ) 14.64 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  21  and name CA  ) 
       ( resid  21  and name HA  ) 6.47 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  22  and name CA  ) 
       ( resid  22  and name HA  ) -16.58 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  23  and name CA  ) 
       ( resid  23  and name HA  ) 0.30 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  26  and name CA  ) 
       ( resid  26  and name HA  ) 9.31 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  27  and name CA  ) 
       ( resid  27  and name HA  ) -7.42 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  28  and name CA  ) 
       ( resid  28  and name HA  ) -6.37 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  29  and name CA  ) 
       ( resid  29  and name HA  ) -3.14 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  30  and name CA  ) 
       ( resid  30  and name HA  ) 9.06 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  31  and name CA  ) 
       ( resid  31  and name HA  ) -10.71 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  32  and name CA  ) 
       ( resid  32  and name HA  ) -4.18 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  33  and name CA  ) 
       ( resid  33  and name HA  ) 0.10 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  35  and name CA  ) 
       ( resid  35  and name HA  ) -7.87 2.0 

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  36  and name CA  ) 
       ( resid  36  and name HA  ) -6.27 2.0 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   6           H        ALA   6 -10.143 -16.455   0.628
    2    HA   ALA   6           HA       ALA   6  -8.820 -15.698  -1.887
    3   1HB   ALA   6          1HB       ALA   6 -10.774 -17.121  -2.326
    4   2HB   ALA   6          2HB       ALA   6 -11.009 -15.478  -2.933
    5   3HB   ALA   6          3HB       ALA   6 -11.787 -15.983  -1.435
    6    H    GLU   7           H        GLU   7 -10.985 -14.689   0.715
    7    HA   GLU   7           HA       GLU   7 -11.065 -11.971  -0.222
    8   1HB   GLU   7          1HB       GLU   7 -12.136 -13.201   2.308
    9   2HB   GLU   7          2HB       GLU   7 -12.535 -11.596   1.679
   10   1HG   GLU   7          1HG       GLU   7 -13.530 -12.613  -0.276
   11   2HG   GLU   7          2HG       GLU   7 -13.126 -14.211   0.334
   12    H    ASP   8           H        ASP   8  -8.518 -12.409   0.152
   13    HA   ASP   8           HA       ASP   8  -7.794 -11.466   2.859
   14   1HB   ASP   8          1HB       ASP   8  -5.995 -12.536   0.681
   15   2HB   ASP   8          2HB       ASP   8  -5.499 -12.053   2.309
   16    H    GLN   9           H        GLN   9  -8.879  -9.902   0.456
   17    HA   GLN   9           HA       GLN   9  -6.640  -8.157   0.189
   18   1HB   GLN   9          1HB       GLN   9  -9.412  -7.918  -1.010
   19   2HB   GLN   9          2HB       GLN   9  -7.999  -6.946  -1.431
   20   1HG   GLN   9          1HG       GLN   9  -6.911  -8.893  -2.318
   21   2HG   GLN   9          2HG       GLN   9  -8.300  -9.901  -1.868
   22   1HE2  GLN   9          1HE2      GLN   9 -10.236  -9.599  -2.954
   23   2HE2  GLN   9          2HE2      GLN   9 -10.294  -8.846  -4.523
   24    H    VAL  10           H        VAL  10  -6.412  -6.733   1.743
   25    HA   VAL  10           HA       VAL  10  -8.795  -5.853   3.152
   26    HB   VAL  10           HB       VAL  10  -7.196  -5.095   4.975
   27   1HG1  VAL  10          1HG1      VAL  10  -7.201  -8.034   4.296
   28   2HG1  VAL  10          2HG1      VAL  10  -8.452  -7.164   5.192
   29   3HG1  VAL  10          3HG1      VAL  10  -6.840  -7.352   5.882
   30   1HG2  VAL  10          1HG2      VAL  10  -5.210  -6.775   3.437
   31   2HG2  VAL  10          2HG2      VAL  10  -4.942  -6.046   5.024
   32   3HG2  VAL  10          3HG2      VAL  10  -5.159  -5.024   3.601
   33    HA   PRO  11           HA       PRO  11  -8.360  -2.049   1.206
   34   1HB   PRO  11          1HB       PRO  11  -9.241  -0.357   3.037
   35   2HB   PRO  11          2HB       PRO  11 -10.338  -1.324   2.036
   36   1HG   PRO  11          1HG       PRO  11  -9.497  -1.734   4.889
   37   2HG   PRO  11          2HG       PRO  11 -11.061  -2.105   4.122
   38   1HD   PRO  11          1HD       PRO  11  -9.184  -3.995   4.685
   39   2HD   PRO  11          2HD       PRO  11 -10.325  -4.128   3.334
   40    H    CYS  12           H        CYS  12  -6.616  -0.971   0.905
   41    HA   CYS  12           HA       CYS  12  -4.636  -0.602   2.884
   42   1HB   CYS  12          1HB       CYS  12  -3.980  -0.932   0.614
   43   2HB   CYS  12          2HB       CYS  12  -4.969   0.431   0.087
   44    H    GLU  13           H        GLU  13  -4.903   0.896   4.386
   45    HA   GLU  13           HA       GLU  13  -6.881   2.830   4.543
   46   1HB   GLU  13          1HB       GLU  13  -4.244   2.843   5.982
   47   2HB   GLU  13          2HB       GLU  13  -5.708   3.677   6.478
   48   1HG   GLU  13          1HG       GLU  13  -6.839   1.574   6.813
   49   2HG   GLU  13          2HG       GLU  13  -5.435   0.696   6.212
   50    H    LYS  14           H        LYS  14  -3.780   3.092   3.080
   51    HA   LYS  14           HA       LYS  14  -3.868   5.919   3.045
   52   1HB   LYS  14          1HB       LYS  14  -1.935   3.930   2.185
   53   2HB   LYS  14          2HB       LYS  14  -1.781   5.417   1.275
   54   1HG   LYS  14          1HG       LYS  14  -1.656   6.590   3.500
   55   2HG   LYS  14          2HG       LYS  14  -1.593   4.997   4.258
   56   1HD   LYS  14          1HD       LYS  14   0.439   4.477   3.101
   57   2HD   LYS  14          2HD       LYS  14   0.318   5.957   2.142
   58   1HE   LYS  14          1HE       LYS  14   0.619   5.913   5.144
   59   2HE   LYS  14          2HE       LYS  14   1.960   6.094   4.011
   60   1HZ   LYS  14          1HZ       LYS  14   0.941   8.125   3.180
   61   2HZ   LYS  14          2HZ       LYS  14   1.235   8.232   4.824
   62   3HZ   LYS  14          3HZ       LYS  14  -0.337   7.982   4.282
   63    H    CYS  15           H        CYS  15  -5.110   3.657   1.129
   64    HA   CYS  15           HA       CYS  15  -5.740   5.712  -0.910
   65   1HB   CYS  15          1HB       CYS  15  -5.332   4.295  -2.880
   66   2HB   CYS  15          2HB       CYS  15  -3.883   4.582  -1.906
   67    H    GLY  16           H        GLY  16  -6.991   2.822   0.521
   68   1HA   GLY  16          1HA       GLY  16  -9.271   2.435   0.783
   69   2HA   GLY  16          2HA       GLY  16  -9.606   3.481  -0.599
   70    H    SER  17           H        SER  17  -7.174   1.656  -1.633
   71    HA   SER  17           HA       SER  17  -8.848  -0.034  -3.223
   72   1HB   SER  17          1HB       SER  17  -5.845   0.021  -2.885
   73   2HB   SER  17          2HB       SER  17  -6.708  -0.731  -4.235
   74    HG   SER  17           HG       SER  17  -7.593   1.527  -4.471
   75    H    LEU  18           H        LEU  18  -9.222  -2.191  -2.908
   76    HA   LEU  18           HA       LEU  18  -8.429  -3.436  -0.406
   77   1HB   LEU  18          1HB       LEU  18  -9.901  -4.496  -2.804
   78   2HB   LEU  18          2HB       LEU  18  -9.638  -5.403  -1.319
   79    HG   LEU  18           HG       LEU  18 -11.230  -2.849  -1.488
   80   1HD1  LEU  18          1HD1      LEU  18 -12.334  -4.675  -2.716
   81   2HD1  LEU  18          2HD1      LEU  18 -13.193  -4.306  -1.218
   82   3HD1  LEU  18          3HD1      LEU  18 -12.150  -5.723  -1.310
   83   1HD2  LEU  18          1HD2      LEU  18 -10.262  -3.234   0.694
   84   2HD2  LEU  18          2HD2      LEU  18 -10.870  -4.889   0.693
   85   3HD2  LEU  18          3HD2      LEU  18 -11.999  -3.540   0.750
   86    H    VAL  19           H        VAL  19  -6.490  -4.034  -0.229
   87    HA   VAL  19           HA       VAL  19  -5.104  -5.063  -2.622
   88    HB   VAL  19           HB       VAL  19  -3.846  -3.882  -0.137
   89   1HG1  VAL  19          1HG1      VAL  19  -2.596  -4.607  -2.781
   90   2HG1  VAL  19          2HG1      VAL  19  -2.368  -5.452  -1.253
   91   3HG1  VAL  19          3HG1      VAL  19  -1.780  -3.799  -1.444
   92   1HG2  VAL  19          1HG2      VAL  19  -5.077  -2.183  -1.324
   93   2HG2  VAL  19          2HG2      VAL  19  -4.306  -2.643  -2.840
   94   3HG2  VAL  19          3HG2      VAL  19  -3.344  -1.926  -1.545
   95    HA   PRO  20           HA       PRO  20  -5.018  -9.110  -0.757
   96   1HB   PRO  20          1HB       PRO  20  -2.465  -9.256  -2.299
   97   2HB   PRO  20          2HB       PRO  20  -3.811 -10.410  -2.261
   98   1HG   PRO  20          1HG       PRO  20  -3.454  -8.777  -4.338
   99   2HG   PRO  20          2HG       PRO  20  -5.084  -9.164  -3.738
  100   1HD   PRO  20          1HD       PRO  20  -3.487  -6.663  -3.423
  101   2HD   PRO  20          2HD       PRO  20  -5.244  -6.893  -3.577
  102    H    VAL  21           H        VAL  21  -4.314  -9.583   1.142
  103    HA   VAL  21           HA       VAL  21  -2.732  -8.107   2.753
  104    HB   VAL  21           HB       VAL  21  -4.417  -9.929   3.254
  105   1HG1  VAL  21          1HG1      VAL  21  -3.640 -12.157   3.824
  106   2HG1  VAL  21          2HG1      VAL  21  -2.068 -11.751   3.137
  107   3HG1  VAL  21          3HG1      VAL  21  -3.489 -11.778   2.104
  108   1HG2  VAL  21          1HG2      VAL  21  -1.974  -9.839   5.004
  109   2HG2  VAL  21          2HG2      VAL  21  -3.604 -10.419   5.441
  110   3HG2  VAL  21          3HG2      VAL  21  -3.360  -8.727   5.025
  111    H    TRP  22           H        TRP  22  -1.612 -10.855   0.807
  112    HA   TRP  22           HA       TRP  22   1.009 -10.844   1.896
  113   1HB   TRP  22          1HB       TRP  22   1.559 -12.355  -0.049
  114   2HB   TRP  22          2HB       TRP  22   0.220 -12.892   0.971
  115    HD1  TRP  22           HD1      TRP  22   0.921 -11.440  -2.518
  116    HE1  TRP  22           HE1      TRP  22  -1.111 -11.921  -4.001
  117    HE3  TRP  22           HE3      TRP  22  -2.190 -13.387   0.989
  118    HZ2  TRP  22           HZ2      TRP  22  -3.713 -13.003  -3.729
  119    HZ3  TRP  22           HZ3      TRP  22  -4.451 -14.126   0.287
  120    HH2  TRP  22           HH2      TRP  22  -5.168 -13.931  -2.019
  121    H    ASP  23           H        ASP  23  -0.455  -8.783  -0.436
  122    HA   ASP  23           HA       ASP  23   2.170  -7.967  -1.484
  123   1HB   ASP  23          1HB       ASP  23  -0.643  -7.481  -2.432
  124   2HB   ASP  23          2HB       ASP  23   0.678  -6.403  -2.908
  125    H    MET  24           H        MET  24   0.227  -7.323   1.055
  126    HA   MET  24           HA       MET  24   0.114  -4.587   1.112
  127   1HB   MET  24          1HB       MET  24   0.065  -6.611   3.234
  128   2HB   MET  24          2HB       MET  24   0.418  -4.948   3.729
  129   1HG   MET  24          1HG       MET  24  -1.962  -5.915   2.177
  130   2HG   MET  24          2HG       MET  24  -1.946  -5.347   3.860
  131   1HE   MET  24          1HE       MET  24  -3.858  -2.564   1.895
  132   2HE   MET  24          2HE       MET  24  -3.837  -3.521   3.371
  133   3HE   MET  24          3HE       MET  24  -3.896  -4.335   1.799
  134    HA   PRO  25           HA       PRO  25   4.510  -4.302   3.236
  135   1HB   PRO  25          1HB       PRO  25   6.218  -6.187   2.031
  136   2HB   PRO  25          2HB       PRO  25   5.666  -6.217   3.714
  137   1HG   PRO  25          1HG       PRO  25   4.698  -7.751   1.363
  138   2HG   PRO  25          2HG       PRO  25   4.725  -8.212   3.070
  139   1HD   PRO  25          1HD       PRO  25   2.473  -7.482   1.764
  140   2HD   PRO  25          2HD       PRO  25   2.674  -7.165   3.496
  141    H    GLU  26           H        GLU  26   4.463  -5.860   0.085
  142    HA   GLU  26           HA       GLU  26   6.206  -4.227  -1.338
  143   1HB   GLU  26          1HB       GLU  26   3.842  -5.888  -2.077
  144   2HB   GLU  26          2HB       GLU  26   4.866  -5.216  -3.329
  145   1HG   GLU  26          1HG       GLU  26   5.546  -7.217  -1.190
  146   2HG   GLU  26          2HG       GLU  26   5.558  -7.443  -2.949
  147    H    HIS  27           H        HIS  27   2.731  -4.007  -1.133
  148    HA   HIS  27           HA       HIS  27   2.469  -1.748  -2.779
  149   1HB   HIS  27          1HB       HIS  27   0.738  -3.376  -2.434
  150   2HB   HIS  27          2HB       HIS  27   0.622  -2.956  -0.730
  151    HD1  HIS  27           HD1      HIS  27  -0.906  -2.097  -3.982
  152    HD2  HIS  27           HD2      HIS  27  -0.339  -0.331  -0.293
  153    HE1  HIS  27           HE1      HIS  27  -2.537  -0.180  -3.882
  154    H    MET  28           H        MET  28   2.578  -2.125   0.745
  155    HA   MET  28           HA       MET  28   2.208   0.617   1.275
  156   1HB   MET  28          1HB       MET  28   3.332  -1.594   2.965
  157   2HB   MET  28          2HB       MET  28   3.280   0.079   3.545
  158   1HG   MET  28          1HG       MET  28   0.935  -1.611   2.697
  159   2HG   MET  28          2HG       MET  28   1.365  -1.154   4.348
  160   1HE   MET  28          1HE       MET  28   1.289   1.314   5.277
  161   2HE   MET  28          2HE       MET  28   0.777   2.713   4.340
  162   3HE   MET  28          3HE       MET  28   2.299   1.912   3.956
  163    H    ASP  29           H        ASP  29   4.997  -1.293   0.537
  164    HA   ASP  29           HA       ASP  29   6.966   0.695   1.209
  165   1HB   ASP  29          1HB       ASP  29   7.549  -1.682   0.983
  166   2HB   ASP  29          2HB       ASP  29   7.037  -1.643  -0.710
  167    H    TYR  30           H        TYR  30   4.972   0.029  -1.562
  168    HA   TYR  30           HA       TYR  30   6.328   1.847  -3.210
  169   1HB   TYR  30          1HB       TYR  30   4.725   0.108  -4.056
  170   2HB   TYR  30          2HB       TYR  30   3.403   1.118  -3.442
  171    HD1  TYR  30           HD1      TYR  30   2.372   2.514  -5.021
  172    HD2  TYR  30           HD2      TYR  30   6.466   1.489  -5.524
  173    HE1  TYR  30           HE1      TYR  30   2.439   3.805  -7.120
  174    HE2  TYR  30           HE2      TYR  30   6.539   2.767  -7.615
  175    HH   TYR  30           HH       TYR  30   3.995   4.851  -8.588
  176    H    HIS  31           H        HIS  31   3.629   2.198  -0.959
  177    HA   HIS  31           HA       HIS  31   3.236   4.998  -1.529
  178   1HB   HIS  31          1HB       HIS  31   2.484   3.420   0.944
  179   2HB   HIS  31          2HB       HIS  31   2.290   5.168   0.865
  180    HD1  HIS  31           HD1      HIS  31   0.448   6.002  -0.920
  181    HD2  HIS  31           HD2      HIS  31   0.459   2.005   0.055
  182    HE1  HIS  31           HE1      HIS  31  -1.827   5.116  -1.648
  183    H    PHE  32           H        PHE  32   5.452   3.235   0.610
  184    HA   PHE  32           HA       PHE  32   6.364   5.396   2.045
  185   1HB   PHE  32          1HB       PHE  32   7.369   2.722   1.332
  186   2HB   PHE  32          2HB       PHE  32   8.567   3.887   1.886
  187    HD1  PHE  32           HD1      PHE  32   8.152   4.994   4.132
  188    HD2  PHE  32           HD2      PHE  32   6.023   1.551   2.838
  189    HE1  PHE  32           HE1      PHE  32   7.549   4.497   6.454
  190    HE2  PHE  32           HE2      PHE  32   5.410   1.052   5.157
  191    HZ   PHE  32           HZ       PHE  32   6.173   2.527   6.973
  192    H    ALA  33           H        ALA  33   7.701   3.940  -0.882
  193    HA   ALA  33           HA       ALA  33   9.697   5.870  -1.246
  194   1HB   ALA  33          1HB       ALA  33   9.913   4.981  -3.527
  195   2HB   ALA  33          2HB       ALA  33   8.387   4.118  -3.323
  196   3HB   ALA  33          3HB       ALA  33   9.776   3.704  -2.322
  197    H    LEU  34           H        LEU  34   6.507   5.539  -2.705
  198    HA   LEU  34           HA       LEU  34   6.584   7.699  -4.478
  199   1HB   LEU  34          1HB       LEU  34   4.921   5.876  -4.518
  200   2HB   LEU  34          2HB       LEU  34   4.199   6.534  -3.055
  201    HG   LEU  34           HG       LEU  34   3.592   8.576  -4.339
  202   1HD1  LEU  34          1HD1      LEU  34   3.718   8.505  -6.774
  203   2HD1  LEU  34          2HD1      LEU  34   4.578   6.966  -6.670
  204   3HD1  LEU  34          3HD1      LEU  34   5.326   8.436  -6.043
  205   1HD2  LEU  34          1HD2      LEU  34   1.779   7.539  -5.583
  206   2HD2  LEU  34          2HD2      LEU  34   2.014   6.732  -4.029
  207   3HD2  LEU  34          3HD2      LEU  34   2.602   5.983  -5.510
  208    H    GLU  35           H        GLU  35   5.404   7.537  -1.132
  209    HA   GLU  35           HA       GLU  35   4.772  10.349  -1.225
  210   1HB   GLU  35          1HB       GLU  35   4.438   8.277   0.919
  211   2HB   GLU  35          2HB       GLU  35   3.971   9.964   1.120
  212   1HG   GLU  35          1HG       GLU  35   2.353   9.772  -0.647
  213   2HG   GLU  35          2HG       GLU  35   2.910   8.134  -1.026
  214    H    LEU  36           H        LEU  36   7.546   8.536  -0.424
  215    HA   LEU  36           HA       LEU  36   8.553  10.513   1.388
  216   1HB   LEU  36          1HB       LEU  36   9.348   8.149   1.416
  217   2HB   LEU  36          2HB       LEU  36  10.045   8.383  -0.181
  218    HG   LEU  36           HG       LEU  36  11.647   8.320   1.787
  219   1HD1  LEU  36          1HD1      LEU  36  11.748  10.785   0.060
  220   2HD1  LEU  36          2HD1      LEU  36  12.390   9.193  -0.348
  221   3HD1  LEU  36          3HD1      LEU  36  13.095  10.114   0.978
  222   1HD2  LEU  36          1HD2      LEU  36  10.473  11.043   2.325
  223   2HD2  LEU  36          2HD2      LEU  36  11.922  10.393   3.080
  224   3HD2  LEU  36          3HD2      LEU  36  10.357   9.624   3.367
  225    H    GLN  37           H        GLN  37   8.621   9.972  -2.005
  226    HA   GLN  37           HA       GLN  37  10.629  11.887  -2.590
  227   1HB   GLN  37          1HB       GLN  37   8.545  10.619  -4.345
  228   2HB   GLN  37          2HB       GLN  37   9.777  11.735  -4.945
  229   1HG   GLN  37          1HG       GLN  37  10.361   9.144  -3.526
  230   2HG   GLN  37          2HG       GLN  37  10.306   9.338  -5.284
  231   1HE2  GLN  37          1HE2      GLN  37  12.411   8.728  -5.493
  232   2HE2  GLN  37          2HE2      GLN  37  13.764   9.723  -5.054
  233    H    LYS  38           H        LYS  38   7.598  12.457  -1.434
  234    HA   LYS  38           HA       LYS  38   7.453  15.029  -2.839
  235   1HB   LYS  38          1HB       LYS  38   5.155  15.236  -2.113
  236   2HB   LYS  38          2HB       LYS  38   5.390  13.662  -2.884
  237   1HG   LYS  38          1HG       LYS  38   5.426  12.580  -0.731
  238   2HG   LYS  38          2HG       LYS  38   5.295  14.150   0.085
  239   1HD   LYS  38          1HD       LYS  38   3.132  14.504  -1.028
  240   2HD   LYS  38          2HD       LYS  38   3.263  12.910  -1.761
  241   1HE   LYS  38          1HE       LYS  38   3.278  11.887   0.460
  242   2HE   LYS  38          2HE       LYS  38   3.168  13.483   1.200
  243   1HZ   LYS  38          1HZ       LYS  38   1.127  12.268  -0.581
  244   2HZ   LYS  38          2HZ       LYS  38   1.033  13.790   0.124
  245   3HZ   LYS  38          3HZ       LYS  38   0.989  12.419   1.090
  246    H    SER  39           H        SER  39   8.781  13.778  -0.144
  247    HA   SER  39           HA       SER  39   8.196  16.112   1.510
  248   1HB   SER  39          1HB       SER  39   9.464  13.467   2.266
  249   2HB   SER  39          2HB       SER  39   8.964  14.750   3.371
  250    HG   SER  39           HG       SER  39   6.854  14.348   2.078
  Start of MODEL    2
    1    H    ALA   6           H        ALA   6 -10.241 -15.494   1.446
    2    HA   ALA   6           HA       ALA   6 -12.483 -14.162   0.114
    3   1HB   ALA   6          1HB       ALA   6 -12.670 -16.064   2.435
    4   2HB   ALA   6          2HB       ALA   6 -13.175 -16.408   0.777
    5   3HB   ALA   6          3HB       ALA   6 -14.010 -15.165   1.722
    6    H    GLU   7           H        GLU   7 -12.058 -12.197   0.571
    7    HA   GLU   7           HA       GLU   7 -11.928 -10.252   1.645
    8   1HB   GLU   7          1HB       GLU   7 -12.602 -11.847   4.119
    9   2HB   GLU   7          2HB       GLU   7 -12.573 -10.077   4.036
   10   1HG   GLU   7          1HG       GLU   7 -14.413 -11.948   2.563
   11   2HG   GLU   7          2HG       GLU   7 -14.838 -10.857   3.882
   12    H    ASP   8           H        ASP   8  -9.692 -12.136   1.337
   13    HA   ASP   8           HA       ASP   8  -7.827 -11.128   3.416
   14   1HB   ASP   8          1HB       ASP   8  -7.269 -13.146   1.195
   15   2HB   ASP   8          2HB       ASP   8  -6.188 -12.691   2.508
   16    H    GLN   9           H        GLN   9  -9.140  -9.731   1.080
   17    HA   GLN   9           HA       GLN   9  -6.681  -8.391   0.331
   18   1HB   GLN   9          1HB       GLN   9  -9.486  -8.133  -0.812
   19   2HB   GLN   9          2HB       GLN   9  -8.059  -7.253  -1.368
   20   1HG   GLN   9          1HG       GLN   9  -7.086  -9.335  -2.117
   21   2HG   GLN   9          2HG       GLN   9  -8.513 -10.213  -1.542
   22   1HE2  GLN   9          1HE2      GLN   9  -7.493 -10.123  -4.187
   23   2HE2  GLN   9          2HE2      GLN   9  -8.725  -9.418  -5.191
   24    H    VAL  10           H        VAL  10  -6.346  -6.824   1.765
   25    HA   VAL  10           HA       VAL  10  -8.665  -5.885   3.223
   26    HB   VAL  10           HB       VAL  10  -7.034  -5.108   4.976
   27   1HG1  VAL  10          1HG1      VAL  10  -6.561  -7.329   5.885
   28   2HG1  VAL  10          2HG1      VAL  10  -6.854  -8.040   4.299
   29   3HG1  VAL  10          3HG1      VAL  10  -8.174  -7.267   5.169
   30   1HG2  VAL  10          1HG2      VAL  10  -4.739  -5.966   4.936
   31   2HG2  VAL  10          2HG2      VAL  10  -5.049  -4.906   3.561
   32   3HG2  VAL  10          3HG2      VAL  10  -5.022  -6.655   3.336
   33    HA   PRO  11           HA       PRO  11  -8.309  -2.138   1.107
   34   1HB   PRO  11          1HB       PRO  11  -9.268  -0.424   2.892
   35   2HB   PRO  11          2HB       PRO  11 -10.326  -1.477   1.935
   36   1HG   PRO  11          1HG       PRO  11  -9.434  -1.771   4.783
   37   2HG   PRO  11          2HG       PRO  11 -11.004  -2.178   4.050
   38   1HD   PRO  11          1HD       PRO  11  -9.112  -4.040   4.623
   39   2HD   PRO  11          2HD       PRO  11 -10.254  -4.201   3.269
   40    H    CYS  12           H        CYS  12  -6.690  -0.906   0.815
   41    HA   CYS  12           HA       CYS  12  -4.584  -0.610   2.695
   42   1HB   CYS  12          1HB       CYS  12  -4.071  -0.771   0.390
   43   2HB   CYS  12          2HB       CYS  12  -5.150   0.573   0.004
   44    H    GLU  13           H        GLU  13  -4.484   0.855   4.197
   45    HA   GLU  13           HA       GLU  13  -6.407   2.824   4.800
   46   1HB   GLU  13          1HB       GLU  13  -3.495   2.787   5.587
   47   2HB   GLU  13          2HB       GLU  13  -4.773   3.695   6.365
   48   1HG   GLU  13          1HG       GLU  13  -4.268   1.853   7.754
   49   2HG   GLU  13          2HG       GLU  13  -5.818   1.506   7.001
   50    H    LYS  14           H        LYS  14  -3.547   3.001   2.918
   51    HA   LYS  14           HA       LYS  14  -3.699   5.822   2.890
   52   1HB   LYS  14          1HB       LYS  14  -1.728   3.928   1.773
   53   2HB   LYS  14          2HB       LYS  14  -1.653   5.591   1.204
   54   1HG   LYS  14          1HG       LYS  14  -1.453   6.318   3.559
   55   2HG   LYS  14          2HG       LYS  14  -1.437   4.619   4.042
   56   1HD   LYS  14          1HD       LYS  14   0.564   4.229   2.772
   57   2HD   LYS  14          2HD       LYS  14   0.505   5.870   2.120
   58   1HE   LYS  14          1HE       LYS  14   0.811   5.227   5.049
   59   2HE   LYS  14          2HE       LYS  14   2.156   5.579   3.968
   60   1HZ   LYS  14          1HZ       LYS  14   1.179   7.749   3.525
   61   2HZ   LYS  14          2HZ       LYS  14   1.490   7.565   5.167
   62   3HZ   LYS  14          3HZ       LYS  14  -0.089   7.440   4.601
   63    H    CYS  15           H        CYS  15  -5.179   3.632   1.085
   64    HA   CYS  15           HA       CYS  15  -5.826   5.696  -0.886
   65   1HB   CYS  15          1HB       CYS  15  -5.508   4.406  -2.953
   66   2HB   CYS  15          2HB       CYS  15  -4.008   4.656  -2.055
   67    H    GLY  16           H        GLY  16  -6.975   2.835   0.603
   68   1HA   GLY  16          1HA       GLY  16  -9.204   2.345   0.910
   69   2HA   GLY  16          2HA       GLY  16  -9.616   3.452  -0.408
   70    H    SER  17           H        SER  17  -7.191   1.623  -1.564
   71    HA   SER  17           HA       SER  17  -8.944  -0.010  -3.174
   72   1HB   SER  17          1HB       SER  17  -5.935   0.092  -3.005
   73   2HB   SER  17          2HB       SER  17  -6.846  -0.620  -4.338
   74    HG   SER  17           HG       SER  17  -7.781   1.750  -4.227
   75    H    LEU  18           H        LEU  18  -9.239  -2.198  -2.933
   76    HA   LEU  18           HA       LEU  18  -8.385  -3.482  -0.489
   77   1HB   LEU  18          1HB       LEU  18  -9.799  -4.565  -2.914
   78   2HB   LEU  18          2HB       LEU  18  -9.574  -5.424  -1.390
   79    HG   LEU  18           HG       LEU  18 -11.187  -2.901  -1.724
   80   1HD1  LEU  18          1HD1      LEU  18 -12.228  -4.824  -2.847
   81   2HD1  LEU  18          2HD1      LEU  18 -13.135  -4.361  -1.405
   82   3HD1  LEU  18          3HD1      LEU  18 -12.071  -5.769  -1.365
   83   1HD2  LEU  18          1HD2      LEU  18 -10.257  -3.128   0.497
   84   2HD2  LEU  18          2HD2      LEU  18 -10.850  -4.781   0.602
   85   3HD2  LEU  18          3HD2      LEU  18 -11.992  -3.439   0.540
   86    H    VAL  19           H        VAL  19  -6.460  -4.130  -0.256
   87    HA   VAL  19           HA       VAL  19  -5.041  -5.182  -2.617
   88    HB   VAL  19           HB       VAL  19  -3.784  -4.014  -0.130
   89   1HG1  VAL  19          1HG1      VAL  19  -2.543  -4.757  -2.768
   90   2HG1  VAL  19          2HG1      VAL  19  -2.344  -5.611  -1.238
   91   3HG1  VAL  19          3HG1      VAL  19  -1.716  -3.973  -1.421
   92   1HG2  VAL  19          1HG2      VAL  19  -4.983  -2.279  -1.334
   93   2HG2  VAL  19          2HG2      VAL  19  -4.162  -2.731  -2.828
   94   3HG2  VAL  19          3HG2      VAL  19  -3.240  -2.054  -1.486
   95    HA   PRO  20           HA       PRO  20  -5.172  -9.203  -0.668
   96   1HB   PRO  20          1HB       PRO  20  -2.625  -9.410  -2.206
   97   2HB   PRO  20          2HB       PRO  20  -3.983 -10.550  -2.121
   98   1HG   PRO  20          1HG       PRO  20  -3.647  -8.995  -4.237
   99   2HG   PRO  20          2HG       PRO  20  -5.278  -9.302  -3.589
  100   1HD   PRO  20          1HD       PRO  20  -3.571  -6.861  -3.375
  101   2HD   PRO  20          2HD       PRO  20  -5.339  -7.016  -3.505
  102    H    VAL  21           H        VAL  21  -4.440  -9.799   1.160
  103    HA   VAL  21           HA       VAL  21  -2.818  -8.398   2.829
  104    HB   VAL  21           HB       VAL  21  -4.449 -10.115   3.500
  105   1HG1  VAL  21          1HG1      VAL  21  -3.947 -11.897   1.993
  106   2HG1  VAL  21          2HG1      VAL  21  -3.842 -12.474   3.657
  107   3HG1  VAL  21          3HG1      VAL  21  -2.371 -12.140   2.745
  108   1HG2  VAL  21          1HG2      VAL  21  -3.300 -10.999   5.422
  109   2HG2  VAL  21          2HG2      VAL  21  -2.925  -9.290   5.169
  110   3HG2  VAL  21          3HG2      VAL  21  -1.739 -10.537   4.738
  111    H    TRP  22           H        TRP  22  -1.733 -10.970   0.677
  112    HA   TRP  22           HA       TRP  22   0.896 -10.971   1.750
  113   1HB   TRP  22          1HB       TRP  22   1.440 -12.527  -0.113
  114   2HB   TRP  22          2HB       TRP  22   0.040 -13.008   0.843
  115    HD1  TRP  22           HD1      TRP  22   1.025 -11.809  -2.640
  116    HE1  TRP  22           HE1      TRP  22  -0.913 -12.253  -4.233
  117    HE3  TRP  22           HE3      TRP  22  -2.449 -13.234   0.762
  118    HZ2  TRP  22           HZ2      TRP  22  -3.621 -13.119  -4.065
  119    HZ3  TRP  22           HZ3      TRP  22  -4.719 -13.866  -0.037
  120    HH2  TRP  22           HH2      TRP  22  -5.261 -13.802  -2.400
  121    H    ASP  23           H        ASP  23  -0.601  -8.815  -0.474
  122    HA   ASP  23           HA       ASP  23   2.028  -8.048  -1.575
  123   1HB   ASP  23          1HB       ASP  23  -0.774  -7.605  -2.559
  124   2HB   ASP  23          2HB       ASP  23   0.479  -6.425  -2.954
  125    H    MET  24           H        MET  24   0.029  -7.375   0.909
  126    HA   MET  24           HA       MET  24  -0.099  -4.650   1.002
  127   1HB   MET  24          1HB       MET  24  -0.204  -6.683   3.084
  128   2HB   MET  24          2HB       MET  24   0.222  -5.051   3.634
  129   1HG   MET  24          1HG       MET  24  -2.199  -5.855   2.059
  130   2HG   MET  24          2HG       MET  24  -2.150  -5.300   3.747
  131   1HE   MET  24          1HE       MET  24  -3.848  -2.347   1.839
  132   2HE   MET  24          2HE       MET  24  -3.867  -3.260   3.346
  133   3HE   MET  24          3HE       MET  24  -4.064  -4.106   1.806
  134    HA   PRO  25           HA       PRO  25   4.241  -4.187   3.278
  135   1HB   PRO  25          1HB       PRO  25   5.557  -6.461   1.849
  136   2HB   PRO  25          2HB       PRO  25   5.879  -5.807   3.470
  137   1HG   PRO  25          1HG       PRO  25   4.562  -8.093   3.176
  138   2HG   PRO  25          2HG       PRO  25   4.078  -6.918   4.411
  139   1HD   PRO  25          1HD       PRO  25   2.787  -7.544   1.785
  140   2HD   PRO  25          2HD       PRO  25   2.052  -7.083   3.338
  141    H    GLU  26           H        GLU  26   4.259  -5.803   0.172
  142    HA   GLU  26           HA       GLU  26   6.020  -4.214  -1.277
  143   1HB   GLU  26          1HB       GLU  26   3.663  -5.895  -1.996
  144   2HB   GLU  26          2HB       GLU  26   4.648  -5.181  -3.261
  145   1HG   GLU  26          1HG       GLU  26   5.526  -7.099  -1.113
  146   2HG   GLU  26          2HG       GLU  26   5.325  -7.449  -2.843
  147    H    HIS  27           H        HIS  27   2.520  -3.976  -1.157
  148    HA   HIS  27           HA       HIS  27   2.340  -1.704  -2.799
  149   1HB   HIS  27          1HB       HIS  27   0.574  -3.313  -2.517
  150   2HB   HIS  27          2HB       HIS  27   0.423  -2.912  -0.805
  151    HD1  HIS  27           HD1      HIS  27  -0.973  -2.018  -4.090
  152    HD2  HIS  27           HD2      HIS  27  -0.520  -0.268  -0.383
  153    HE1  HIS  27           HE1      HIS  27  -2.656  -0.121  -4.008
  154    H    MET  28           H        MET  28   2.319  -2.017   0.730
  155    HA   MET  28           HA       MET  28   2.014   0.786   1.175
  156   1HB   MET  28          1HB       MET  28   3.121  -1.291   3.073
  157   2HB   MET  28          2HB       MET  28   2.747   0.379   3.482
  158   1HG   MET  28          1HG       MET  28   0.740  -1.618   2.473
  159   2HG   MET  28          2HG       MET  28   0.951  -1.130   4.157
  160   1HE   MET  28          1HE       MET  28  -0.217   2.553   4.225
  161   2HE   MET  28          2HE       MET  28   1.432   1.944   4.112
  162   3HE   MET  28          3HE       MET  28   0.264   1.139   5.163
  163    H    ASP  29           H        ASP  29   4.772  -1.204   0.507
  164    HA   ASP  29           HA       ASP  29   6.788   0.688   1.267
  165   1HB   ASP  29          1HB       ASP  29   7.290  -1.686   0.925
  166   2HB   ASP  29          2HB       ASP  29   6.730  -1.567  -0.747
  167    H    TYR  30           H        TYR  30   4.920   0.064  -1.600
  168    HA   TYR  30           HA       TYR  30   6.265   1.860  -3.297
  169   1HB   TYR  30          1HB       TYR  30   4.646   0.101  -4.045
  170   2HB   TYR  30          2HB       TYR  30   3.343   1.079  -3.363
  171    HD1  TYR  30           HD1      TYR  30   2.436   2.911  -4.586
  172    HD2  TYR  30           HD2      TYR  30   5.946   0.967  -5.962
  173    HE1  TYR  30           HE1      TYR  30   2.242   4.097  -6.733
  174    HE2  TYR  30           HE2      TYR  30   5.760   2.142  -8.107
  175    HH   TYR  30           HH       TYR  30   3.680   4.769  -8.574
  176    H    HIS  31           H        HIS  31   3.455   2.298  -1.176
  177    HA   HIS  31           HA       HIS  31   3.110   5.117  -1.785
  178   1HB   HIS  31          1HB       HIS  31   2.301   3.559   0.670
  179   2HB   HIS  31          2HB       HIS  31   2.095   5.301   0.540
  180    HD1  HIS  31           HD1      HIS  31   0.334   6.042  -1.377
  181    HD2  HIS  31           HD2      HIS  31   0.306   2.126  -0.136
  182    HE1  HIS  31           HE1      HIS  31  -1.935   5.144  -2.072
  183    H    PHE  32           H        PHE  32   5.060   3.331   0.540
  184    HA   PHE  32           HA       PHE  32   5.714   5.394   2.258
  185   1HB   PHE  32          1HB       PHE  32   6.136   2.858   2.418
  186   2HB   PHE  32          2HB       PHE  32   7.584   3.181   1.455
  187    HD1  PHE  32           HD1      PHE  32   6.105   3.157   4.676
  188    HD2  PHE  32           HD2      PHE  32   9.302   4.791   2.411
  189    HE1  PHE  32           HE1      PHE  32   7.286   3.732   6.768
  190    HE2  PHE  32           HE2      PHE  32  10.498   5.359   4.486
  191    HZ   PHE  32           HZ       PHE  32   9.489   4.831   6.665
  192    H    ALA  33           H        ALA  33   7.500   4.094  -0.467
  193    HA   ALA  33           HA       ALA  33   9.549   6.099  -0.454
  194   1HB   ALA  33          1HB       ALA  33   8.722   4.273  -2.708
  195   2HB   ALA  33          2HB       ALA  33   9.862   3.860  -1.436
  196   3HB   ALA  33          3HB       ALA  33  10.247   5.147  -2.583
  197    H    LEU  34           H        LEU  34   6.558   5.762  -2.215
  198    HA   LEU  34           HA       LEU  34   6.939   7.868  -4.079
  199   1HB   LEU  34          1HB       LEU  34   5.265   6.097  -4.338
  200   2HB   LEU  34          2HB       LEU  34   4.379   6.739  -2.959
  201    HG   LEU  34           HG       LEU  34   3.923   8.791  -4.259
  202   1HD1  LEU  34          1HD1      LEU  34   5.220   7.269  -6.512
  203   2HD1  LEU  34          2HD1      LEU  34   5.839   8.741  -5.750
  204   3HD1  LEU  34          3HD1      LEU  34   4.328   8.782  -6.661
  205   1HD2  LEU  34          1HD2      LEU  34   2.297   7.779  -5.762
  206   2HD2  LEU  34          2HD2      LEU  34   2.312   6.971  -4.196
  207   3HD2  LEU  34          3HD2      LEU  34   3.093   6.216  -5.587
  208    H    GLU  35           H        GLU  35   5.385   7.773  -0.908
  209    HA   GLU  35           HA       GLU  35   4.687  10.586  -0.955
  210   1HB   GLU  35          1HB       GLU  35   4.420   8.432   1.138
  211   2HB   GLU  35          2HB       GLU  35   3.801  10.074   1.300
  212   1HG   GLU  35          1HG       GLU  35   2.243   9.745  -0.469
  213   2HG   GLU  35          2HG       GLU  35   2.999   8.205  -0.905
  214    H    LEU  36           H        LEU  36   7.361   8.648   0.074
  215    HA   LEU  36           HA       LEU  36   8.308  10.371   2.094
  216   1HB   LEU  36          1HB       LEU  36   9.042   8.068   1.966
  217   2HB   LEU  36          2HB       LEU  36   9.655   8.319   0.337
  218    HG   LEU  36           HG       LEU  36  11.415   9.724   1.224
  219   1HD1  LEU  36          1HD1      LEU  36  11.839   9.789   3.647
  220   2HD1  LEU  36          2HD1      LEU  36  10.322   8.934   3.930
  221   3HD1  LEU  36          3HD1      LEU  36  10.306  10.560   3.242
  222   1HD2  LEU  36          1HD2      LEU  36  11.217   7.014   2.506
  223   2HD2  LEU  36          2HD2      LEU  36  12.703   7.944   2.311
  224   3HD2  LEU  36          3HD2      LEU  36  11.827   7.375   0.889
  225    H    GLN  37           H        GLN  37   8.527  10.296  -1.319
  226    HA   GLN  37           HA       GLN  37  10.701  12.003  -1.790
  227   1HB   GLN  37          1HB       GLN  37   8.187  11.587  -3.383
  228   2HB   GLN  37          2HB       GLN  37   9.588  12.499  -3.962
  229   1HG   GLN  37          1HG       GLN  37  10.947  10.514  -3.850
  230   2HG   GLN  37          2HG       GLN  37   9.592   9.601  -3.162
  231   1HE2  GLN  37          1HE2      GLN  37  11.142   9.193  -5.608
  232   2HE2  GLN  37          2HE2      GLN  37   9.972   9.195  -6.897
  233    H    LYS  38           H        LYS  38   7.345  12.722  -1.086
  234    HA   LYS  38           HA       LYS  38   7.954  15.571  -1.325
  235   1HB   LYS  38          1HB       LYS  38   5.528  15.934  -1.237
  236   2HB   LYS  38          2HB       LYS  38   5.995  14.863  -2.564
  237   1HG   LYS  38          1HG       LYS  38   5.285  12.931  -1.212
  238   2HG   LYS  38          2HG       LYS  38   4.781  14.043   0.073
  239   1HD   LYS  38          1HD       LYS  38   3.676  13.981  -2.737
  240   2HD   LYS  38          2HD       LYS  38   2.882  13.295  -1.324
  241   1HE   LYS  38          1HE       LYS  38   2.789  15.544  -0.308
  242   2HE   LYS  38          2HE       LYS  38   3.583  16.203  -1.733
  243   1HZ   LYS  38          1HZ       LYS  38   1.703  15.536  -3.069
  244   2HZ   LYS  38          2HZ       LYS  38   1.207  16.533  -1.794
  245   3HZ   LYS  38          3HZ       LYS  38   0.933  14.876  -1.716
  246    H    SER  39           H        SER  39   8.106  13.293   0.990
  247    HA   SER  39           HA       SER  39   7.388  15.211   3.074
  248   1HB   SER  39          1HB       SER  39   7.201  12.194   3.257
  249   2HB   SER  39          2HB       SER  39   6.675  13.360   4.473
  250    HG   SER  39           HG       SER  39   5.574  12.702   1.999
  Start of MODEL    3
    1    H    ALA   6           H        ALA   6 -13.468 -16.161  -0.253
    2    HA   ALA   6           HA       ALA   6 -10.727 -15.452   0.306
    3   1HB   ALA   6          1HB       ALA   6 -10.731 -14.449  -1.911
    4   2HB   ALA   6          2HB       ALA   6 -12.467 -14.731  -2.041
    5   3HB   ALA   6          3HB       ALA   6 -11.357 -16.097  -1.964
    6    H    GLU   7           H        GLU   7 -10.829 -14.119   2.039
    7    HA   GLU   7           HA       GLU   7 -11.951 -11.437   1.523
    8   1HB   GLU   7          1HB       GLU   7 -11.689 -12.881   4.158
    9   2HB   GLU   7          2HB       GLU   7 -12.193 -11.203   3.951
   10   1HG   GLU   7          1HG       GLU   7 -14.170 -11.974   2.753
   11   2HG   GLU   7          2HG       GLU   7 -13.656 -13.645   2.998
   12    H    ASP   8           H        ASP   8  -9.307 -12.660   0.985
   13    HA   ASP   8           HA       ASP   8  -7.650 -11.397   3.050
   14   1HB   ASP   8          1HB       ASP   8  -6.753 -13.386   0.921
   15   2HB   ASP   8          2HB       ASP   8  -5.777 -12.723   2.225
   16    H    GLN   9           H        GLN   9  -9.058 -10.077   0.648
   17    HA   GLN   9           HA       GLN   9  -6.686  -8.565   0.073
   18   1HB   GLN   9          1HB       GLN   9  -9.463  -8.504  -1.128
   19   2HB   GLN   9          2HB       GLN   9  -8.211  -7.327  -1.520
   20   1HG   GLN   9          1HG       GLN   9  -6.855  -9.159  -2.430
   21   2HG   GLN   9          2HG       GLN   9  -8.191 -10.277  -2.112
   22   1HE2  GLN   9          1HE2      GLN   9 -10.220  -8.272  -2.846
   23   2HE2  GLN   9          2HE2      GLN   9 -10.159  -8.161  -4.573
   24    H    VAL  10           H        VAL  10  -6.424  -7.035   1.511
   25    HA   VAL  10           HA       VAL  10  -8.763  -6.146   2.996
   26    HB   VAL  10           HB       VAL  10  -7.135  -5.415   4.791
   27   1HG1  VAL  10          1HG1      VAL  10  -8.375  -7.499   4.991
   28   2HG1  VAL  10          2HG1      VAL  10  -6.752  -7.688   5.656
   29   3HG1  VAL  10          3HG1      VAL  10  -7.134  -8.343   4.064
   30   1HG2  VAL  10          1HG2      VAL  10  -5.118  -5.288   3.418
   31   2HG2  VAL  10          2HG2      VAL  10  -5.173  -7.032   3.159
   32   3HG2  VAL  10          3HG2      VAL  10  -4.881  -6.391   4.774
   33    HA   PRO  11           HA       PRO  11  -8.388  -2.280   1.100
   34   1HB   PRO  11          1HB       PRO  11  -9.481  -0.683   2.901
   35   2HB   PRO  11          2HB       PRO  11 -10.451  -1.783   1.909
   36   1HG   PRO  11          1HG       PRO  11  -9.538  -2.118   4.754
   37   2HG   PRO  11          2HG       PRO  11 -11.115  -2.520   4.035
   38   1HD   PRO  11          1HD       PRO  11  -9.210  -4.377   4.506
   39   2HD   PRO  11          2HD       PRO  11 -10.333  -4.489   3.134
   40    H    CYS  12           H        CYS  12  -6.656  -1.127   0.892
   41    HA   CYS  12           HA       CYS  12  -4.593  -0.805   2.797
   42   1HB   CYS  12          1HB       CYS  12  -4.070  -0.865   0.484
   43   2HB   CYS  12          2HB       CYS  12  -5.217   0.425   0.129
   44    H    GLU  13           H        GLU  13  -4.579   0.577   4.396
   45    HA   GLU  13           HA       GLU  13  -6.579   2.469   4.874
   46   1HB   GLU  13          1HB       GLU  13  -5.002   3.308   6.698
   47   2HB   GLU  13          2HB       GLU  13  -5.526   1.638   6.793
   48   1HG   GLU  13          1HG       GLU  13  -2.919   2.290   5.477
   49   2HG   GLU  13          2HG       GLU  13  -3.037   2.286   7.232
   50    H    LYS  14           H        LYS  14  -3.682   2.817   3.065
   51    HA   LYS  14           HA       LYS  14  -4.012   5.655   3.184
   52   1HB   LYS  14          1HB       LYS  14  -1.823   3.985   2.061
   53   2HB   LYS  14          2HB       LYS  14  -1.934   5.688   1.605
   54   1HG   LYS  14          1HG       LYS  14  -1.893   6.247   4.049
   55   2HG   LYS  14          2HG       LYS  14  -1.577   4.542   4.372
   56   1HD   LYS  14          1HD       LYS  14   0.473   4.649   3.079
   57   2HD   LYS  14          2HD       LYS  14   0.136   6.334   2.649
   58   1HE   LYS  14          1HE       LYS  14   0.277   6.954   5.023
   59   2HE   LYS  14          2HE       LYS  14   0.630   5.280   5.440
   60   1HZ   LYS  14          1HZ       LYS  14   2.651   6.603   5.344
   61   2HZ   LYS  14          2HZ       LYS  14   2.353   7.043   3.756
   62   3HZ   LYS  14          3HZ       LYS  14   2.685   5.450   4.125
   63    H    CYS  15           H        CYS  15  -5.228   3.378   1.267
   64    HA   CYS  15           HA       CYS  15  -6.007   5.494  -0.628
   65   1HB   CYS  15          1HB       CYS  15  -5.565   4.379  -2.745
   66   2HB   CYS  15          2HB       CYS  15  -4.095   4.582  -1.788
   67    H    GLY  16           H        GLY  16  -7.107   2.806   0.928
   68   1HA   GLY  16          1HA       GLY  16  -9.327   2.180   1.192
   69   2HA   GLY  16          2HA       GLY  16  -9.755   3.267  -0.133
   70    H    SER  17           H        SER  17  -7.360   1.491  -1.326
   71    HA   SER  17           HA       SER  17  -9.144  -0.111  -2.910
   72   1HB   SER  17          1HB       SER  17  -6.153   0.196  -2.882
   73   2HB   SER  17          2HB       SER  17  -7.017  -0.656  -4.157
   74    HG   SER  17           HG       SER  17  -8.256   1.499  -4.118
   75    H    LEU  18           H        LEU  18  -9.366  -2.281  -2.833
   76    HA   LEU  18           HA       LEU  18  -8.527  -3.675  -0.452
   77   1HB   LEU  18          1HB       LEU  18  -9.994  -4.607  -2.900
   78   2HB   LEU  18          2HB       LEU  18  -9.794  -5.540  -1.415
   79    HG   LEU  18           HG       LEU  18 -11.261  -2.909  -1.556
   80   1HD1  LEU  18          1HD1      LEU  18 -12.330  -5.725  -1.583
   81   2HD1  LEU  18          2HD1      LEU  18 -12.477  -4.522  -2.872
   82   3HD1  LEU  18          3HD1      LEU  18 -13.300  -4.277  -1.335
   83   1HD2  LEU  18          1HD2      LEU  18 -11.153  -5.041   0.567
   84   2HD2  LEU  18          2HD2      LEU  18 -12.098  -3.550   0.632
   85   3HD2  LEU  18          3HD2      LEU  18 -10.338  -3.480   0.623
   86    H    VAL  19           H        VAL  19  -6.541  -4.158  -0.363
   87    HA   VAL  19           HA       VAL  19  -5.144  -5.081  -2.780
   88    HB   VAL  19           HB       VAL  19  -4.000  -3.993  -0.203
   89   1HG1  VAL  19          1HG1      VAL  19  -2.434  -5.497  -1.267
   90   2HG1  VAL  19          2HG1      VAL  19  -1.878  -3.828  -1.430
   91   3HG1  VAL  19          3HG1      VAL  19  -2.632  -4.650  -2.797
   92   1HG2  VAL  19          1HG2      VAL  19  -5.198  -2.280  -1.402
   93   2HG2  VAL  19          2HG2      VAL  19  -4.332  -2.681  -2.884
   94   3HG2  VAL  19          3HG2      VAL  19  -3.463  -1.989  -1.515
   95    HA   PRO  20           HA       PRO  20  -5.065  -9.173  -0.994
   96   1HB   PRO  20          1HB       PRO  20  -2.465  -9.308  -2.454
   97   2HB   PRO  20          2HB       PRO  20  -3.830 -10.441  -2.493
   98   1HG   PRO  20          1HG       PRO  20  -3.368  -8.772  -4.525
   99   2HG   PRO  20          2HG       PRO  20  -5.025  -9.153  -4.001
  100   1HD   PRO  20          1HD       PRO  20  -3.405  -6.682  -3.537
  101   2HD   PRO  20          2HD       PRO  20  -5.151  -6.871  -3.803
  102    H    VAL  21           H        VAL  21  -4.397  -9.649   0.913
  103    HA   VAL  21           HA       VAL  21  -2.838  -8.130   2.546
  104    HB   VAL  21           HB       VAL  21  -4.479  -9.796   3.287
  105   1HG1  VAL  21          1HG1      VAL  21  -3.885 -12.139   3.600
  106   2HG1  VAL  21          2HG1      VAL  21  -2.398 -11.854   2.689
  107   3HG1  VAL  21          3HG1      VAL  21  -3.961 -11.651   1.905
  108   1HG2  VAL  21          1HG2      VAL  21  -1.793 -10.118   4.602
  109   2HG2  VAL  21          2HG2      VAL  21  -3.356 -10.590   5.286
  110   3HG2  VAL  21          3HG2      VAL  21  -3.018  -8.887   4.960
  111    H    TRP  22           H        TRP  22  -1.729 -10.823   0.581
  112    HA   TRP  22           HA       TRP  22   0.893 -10.850   1.659
  113   1HB   TRP  22          1HB       TRP  22   1.371 -12.336  -0.386
  114   2HB   TRP  22          2HB       TRP  22   0.198 -12.896   0.813
  115    HD1  TRP  22           HD1      TRP  22   0.333 -11.442  -2.750
  116    HE1  TRP  22           HE1      TRP  22  -1.833 -12.086  -3.960
  117    HE3  TRP  22           HE3      TRP  22  -2.115 -13.627   1.134
  118    HZ2  TRP  22           HZ2      TRP  22  -4.298 -13.380  -3.325
  119    HZ3  TRP  22           HZ3      TRP  22  -4.378 -14.546   0.744
  120    HH2  TRP  22           HH2      TRP  22  -5.421 -14.416  -1.441
  121    H    ASP  23           H        ASP  23  -0.554  -8.682  -0.470
  122    HA   ASP  23           HA       ASP  23   2.006  -7.879  -1.705
  123   1HB   ASP  23          1HB       ASP  23  -0.881  -7.328  -2.349
  124   2HB   ASP  23          2HB       ASP  23   0.383  -6.210  -2.871
  125    H    MET  24           H        MET  24   0.094  -7.277   0.944
  126    HA   MET  24           HA       MET  24  -0.050  -4.548   1.088
  127   1HB   MET  24          1HB       MET  24  -0.079  -6.620   3.160
  128   2HB   MET  24          2HB       MET  24   0.215  -4.959   3.698
  129   1HG   MET  24          1HG       MET  24  -2.108  -5.950   2.083
  130   2HG   MET  24          2HG       MET  24  -2.133  -5.407   3.777
  131   1HE   MET  24          1HE       MET  24  -4.040  -2.596   1.858
  132   2HE   MET  24          2HE       MET  24  -4.017  -3.565   3.329
  133   3HE   MET  24          3HE       MET  24  -4.075  -4.364   1.750
  134    HA   PRO  25           HA       PRO  25   4.248  -4.176   3.437
  135   1HB   PRO  25          1HB       PRO  25   5.620  -6.387   1.974
  136   2HB   PRO  25          2HB       PRO  25   5.875  -5.810   3.632
  137   1HG   PRO  25          1HG       PRO  25   4.566  -8.081   3.179
  138   2HG   PRO  25          2HG       PRO  25   4.035  -6.963   4.449
  139   1HD   PRO  25          1HD       PRO  25   2.863  -7.458   1.744
  140   2HD   PRO  25          2HD       PRO  25   2.062  -7.091   3.289
  141    H    GLU  26           H        GLU  26   4.427  -5.679   0.267
  142    HA   GLU  26           HA       GLU  26   6.231  -3.920  -0.923
  143   1HB   GLU  26          1HB       GLU  26   4.342  -5.988  -1.709
  144   2HB   GLU  26          2HB       GLU  26   4.890  -5.023  -3.056
  145   1HG   GLU  26          1HG       GLU  26   6.238  -7.036  -2.801
  146   2HG   GLU  26          2HG       GLU  26   7.234  -5.635  -2.390
  147    H    HIS  27           H        HIS  27   2.703  -3.932  -1.076
  148    HA   HIS  27           HA       HIS  27   2.441  -1.704  -2.760
  149   1HB   HIS  27          1HB       HIS  27   0.703  -3.329  -2.472
  150   2HB   HIS  27          2HB       HIS  27   0.552  -2.959  -0.758
  151    HD1  HIS  27           HD1      HIS  27  -1.031  -2.193  -3.934
  152    HD2  HIS  27           HD2      HIS  27  -0.398  -0.229  -0.362
  153    HE1  HIS  27           HE1      HIS  27  -2.794  -0.362  -3.821
  154    H    MET  28           H        MET  28   2.287  -1.945   0.774
  155    HA   MET  28           HA       MET  28   1.922   0.869   1.171
  156   1HB   MET  28          1HB       MET  28   3.042  -1.153   3.120
  157   2HB   MET  28          2HB       MET  28   2.549   0.494   3.500
  158   1HG   MET  28          1HG       MET  28   0.712  -1.650   2.454
  159   2HG   MET  28          2HG       MET  28   0.815  -1.108   4.129
  160   1HE   MET  28          1HE       MET  28  -0.615   2.482   4.038
  161   2HE   MET  28          2HE       MET  28   1.065   1.948   4.087
  162   3HE   MET  28          3HE       MET  28  -0.155   1.113   5.047
  163    H    ASP  29           H        ASP  29   4.749  -1.105   0.677
  164    HA   ASP  29           HA       ASP  29   6.642   0.892   1.377
  165   1HB   ASP  29          1HB       ASP  29   7.280  -1.426   1.178
  166   2HB   ASP  29          2HB       ASP  29   6.769  -1.456  -0.516
  167    H    TYR  30           H        TYR  30   4.773   0.189  -1.457
  168    HA   TYR  30           HA       TYR  30   6.181   1.917  -3.186
  169   1HB   TYR  30          1HB       TYR  30   4.506   0.072  -3.810
  170   2HB   TYR  30          2HB       TYR  30   3.253   1.261  -3.421
  171    HD1  TYR  30           HD1      TYR  30   3.219   3.426  -4.747
  172    HD2  TYR  30           HD2      TYR  30   5.586   0.082  -5.866
  173    HE1  TYR  30           HE1      TYR  30   3.411   4.328  -7.014
  174    HE2  TYR  30           HE2      TYR  30   5.787   0.973  -8.139
  175    HH   TYR  30           HH       TYR  30   4.952   4.134  -8.929
  176    H    HIS  31           H        HIS  31   3.311   2.431  -1.128
  177    HA   HIS  31           HA       HIS  31   3.035   5.248  -1.875
  178   1HB   HIS  31          1HB       HIS  31   2.138   3.907   0.692
  179   2HB   HIS  31          2HB       HIS  31   1.871   5.609   0.327
  180    HD1  HIS  31           HD1      HIS  31   0.200   5.936  -1.883
  181    HD2  HIS  31           HD2      HIS  31   0.172   2.349   0.170
  182    HE1  HIS  31           HE1      HIS  31  -2.007   4.861  -2.429
  183    H    PHE  32           H        PHE  32   4.947   3.481   0.447
  184    HA   PHE  32           HA       PHE  32   5.670   5.561   2.153
  185   1HB   PHE  32          1HB       PHE  32   5.906   3.004   2.383
  186   2HB   PHE  32          2HB       PHE  32   7.358   3.184   1.397
  187    HD1  PHE  32           HD1      PHE  32   9.262   4.570   2.311
  188    HD2  PHE  32           HD2      PHE  32   5.899   3.416   4.643
  189    HE1  PHE  32           HE1      PHE  32  10.545   5.010   4.365
  190    HE2  PHE  32           HE2      PHE  32   7.171   3.870   6.707
  191    HZ   PHE  32           HZ       PHE  32   9.495   4.665   6.566
  192    H    ALA  33           H        ALA  33   7.423   3.969  -0.537
  193    HA   ALA  33           HA       ALA  33   9.543   5.830  -0.611
  194   1HB   ALA  33          1HB       ALA  33  10.208   4.669  -2.642
  195   2HB   ALA  33          2HB       ALA  33   8.629   3.892  -2.735
  196   3HB   ALA  33          3HB       ALA  33   9.724   3.508  -1.404
  197    H    LEU  34           H        LEU  34   6.439   5.717  -2.192
  198    HA   LEU  34           HA       LEU  34   7.013   7.593  -4.249
  199   1HB   LEU  34          1HB       LEU  34   5.080   6.089  -4.315
  200   2HB   LEU  34          2HB       LEU  34   4.392   6.920  -2.930
  201    HG   LEU  34           HG       LEU  34   4.064   8.942  -4.265
  202   1HD1  LEU  34          1HD1      LEU  34   5.182   7.325  -6.552
  203   2HD1  LEU  34          2HD1      LEU  34   5.943   8.729  -5.802
  204   3HD1  LEU  34          3HD1      LEU  34   4.429   8.913  -6.686
  205   1HD2  LEU  34          1HD2      LEU  34   2.988   6.463  -5.600
  206   2HD2  LEU  34          2HD2      LEU  34   2.316   8.087  -5.740
  207   3HD2  LEU  34          3HD2      LEU  34   2.301   7.256  -4.185
  208    H    GLU  35           H        GLU  35   5.705   7.929  -0.971
  209    HA   GLU  35           HA       GLU  35   5.641  10.738  -1.471
  210   1HB   GLU  35          1HB       GLU  35   4.408   9.145   0.735
  211   2HB   GLU  35          2HB       GLU  35   4.392  10.905   0.711
  212   1HG   GLU  35          1HG       GLU  35   3.283  10.840  -1.485
  213   2HG   GLU  35          2HG       GLU  35   3.224   9.073  -1.363
  214    H    LEU  36           H        LEU  36   7.741   8.567  -0.274
  215    HA   LEU  36           HA       LEU  36   8.722   9.516   2.050
  216   1HB   LEU  36          1HB       LEU  36   9.306   7.416   0.882
  217   2HB   LEU  36          2HB       LEU  36  10.357   8.337  -0.191
  218    HG   LEU  36           HG       LEU  36  11.805   8.856   1.670
  219   1HD1  LEU  36          1HD1      LEU  36  10.137   8.893   3.480
  220   2HD1  LEU  36          2HD1      LEU  36  11.423   7.754   3.864
  221   3HD1  LEU  36          3HD1      LEU  36   9.873   7.163   3.279
  222   1HD2  LEU  36          1HD2      LEU  36  11.137   5.928   1.452
  223   2HD2  LEU  36          2HD2      LEU  36  12.644   6.590   2.083
  224   3HD2  LEU  36          3HD2      LEU  36  12.212   6.840   0.392
  225    H    GLN  37           H        GLN  37   9.014  10.830  -1.072
  226    HA   GLN  37           HA       GLN  37  11.300  12.493  -0.735
  227   1HB   GLN  37          1HB       GLN  37   9.084  12.464  -2.771
  228   2HB   GLN  37          2HB       GLN  37  10.333  13.709  -2.770
  229   1HG   GLN  37          1HG       GLN  37  10.783  11.930  -4.393
  230   2HG   GLN  37          2HG       GLN  37  12.040  12.032  -3.152
  231   1HE2  GLN  37          1HE2      GLN  37   9.424  10.159  -4.459
  232   2HE2  GLN  37          2HE2      GLN  37   9.785   8.713  -3.569
  233    H    LYS  38           H        LYS  38   8.035  12.811   0.322
  234    HA   LYS  38           HA       LYS  38   8.388  15.715   0.662
  235   1HB   LYS  38          1HB       LYS  38   6.003  15.884   1.047
  236   2HB   LYS  38          2HB       LYS  38   6.233  14.879  -0.387
  237   1HG   LYS  38          1HG       LYS  38   5.863  12.879   0.968
  238   2HG   LYS  38          2HG       LYS  38   5.644  13.894   2.398
  239   1HD   LYS  38          1HD       LYS  38   3.483  13.225   1.594
  240   2HD   LYS  38          2HD       LYS  38   3.692  14.939   1.247
  241   1HE   LYS  38          1HE       LYS  38   4.174  14.458  -1.070
  242   2HE   LYS  38          2HE       LYS  38   4.191  12.733  -0.735
  243   1HZ   LYS  38          1HZ       LYS  38   2.101  13.469  -1.735
  244   2HZ   LYS  38          2HZ       LYS  38   1.809  14.476  -0.418
  245   3HZ   LYS  38          3HZ       LYS  38   1.884  12.793  -0.206
  246    H    SER  39           H        SER  39   9.391  13.195   2.234
  247    HA   SER  39           HA       SER  39   8.407  14.010   4.856
  248   1HB   SER  39          1HB       SER  39   9.772  11.433   4.048
  249   2HB   SER  39          2HB       SER  39   9.035  11.783   5.615
  250    HG   SER  39           HG       SER  39   7.488  12.124   3.333
  Start of MODEL    4
    1    H    ALA   6           H        ALA   6 -11.529 -12.584  -0.010
    2    HA   ALA   6           HA       ALA   6 -13.355 -12.120   2.252
    3   1HB   ALA   6          1HB       ALA   6 -13.814 -14.225   1.057
    4   2HB   ALA   6          2HB       ALA   6 -13.322 -14.481   2.728
    5   3HB   ALA   6          3HB       ALA   6 -12.176 -14.758   1.421
    6    H    GLU   7           H        GLU   7 -12.032 -10.854   3.500
    7    HA   GLU   7           HA       GLU   7 -10.766 -10.476   5.278
    8   1HB   GLU   7          1HB       GLU   7 -10.437 -13.449   5.286
    9   2HB   GLU   7          2HB       GLU   7  -9.638 -12.419   6.477
   10   1HG   GLU   7          1HG       GLU   7 -11.657 -13.347   7.402
   11   2HG   GLU   7          2HG       GLU   7 -11.835 -11.611   7.203
   12    H    ASP   8           H        ASP   8  -9.127 -12.314   2.926
   13    HA   ASP   8           HA       ASP   8  -6.521 -11.285   3.848
   14   1HB   ASP   8          1HB       ASP   8  -7.124 -13.332   1.696
   15   2HB   ASP   8          2HB       ASP   8  -5.514 -12.822   2.194
   16    H    GLN   9           H        GLN   9  -8.697  -9.866   2.342
   17    HA   GLN   9           HA       GLN   9  -6.734  -8.490   0.835
   18   1HB   GLN   9          1HB       GLN   9  -9.530  -9.028  -0.158
   19   2HB   GLN   9          2HB       GLN   9  -8.513  -7.769  -0.873
   20   1HG   GLN   9          1HG       GLN   9  -6.875  -9.482  -1.453
   21   2HG   GLN   9          2HG       GLN   9  -7.960 -10.707  -0.763
   22   1HE2  GLN   9          1HE2      GLN   9  -8.080 -11.733  -2.721
   23   2HE2  GLN   9          2HE2      GLN   9  -9.035 -11.095  -4.041
   24    H    VAL  10           H        VAL  10  -6.623  -6.635   1.882
   25    HA   VAL  10           HA       VAL  10  -9.033  -5.576   3.170
   26    HB   VAL  10           HB       VAL  10  -7.539  -4.608   4.954
   27   1HG1  VAL  10          1HG1      VAL  10  -8.776  -6.672   5.352
   28   2HG1  VAL  10          2HG1      VAL  10  -7.192  -6.731   6.137
   29   3HG1  VAL  10          3HG1      VAL  10  -7.458  -7.596   4.626
   30   1HG2  VAL  10          1HG2      VAL  10  -5.449  -4.635   3.716
   31   2HG2  VAL  10          2HG2      VAL  10  -5.468  -6.399   3.687
   32   3HG2  VAL  10          3HG2      VAL  10  -5.285  -5.546   5.219
   33    HA   PRO  11           HA       PRO  11  -8.430  -1.892   0.911
   34   1HB   PRO  11          1HB       PRO  11  -9.339  -0.067   2.662
   35   2HB   PRO  11          2HB       PRO  11 -10.416  -1.051   1.655
   36   1HG   PRO  11          1HG       PRO  11  -9.681  -1.378   4.538
   37   2HG   PRO  11          2HG       PRO  11 -11.235  -1.693   3.732
   38   1HD   PRO  11          1HD       PRO  11  -9.513  -3.667   4.421
   39   2HD   PRO  11          2HD       PRO  11 -10.573  -3.770   2.999
   40    H    CYS  12           H        CYS  12  -6.617  -0.923   0.633
   41    HA   CYS  12           HA       CYS  12  -4.640  -0.607   2.634
   42   1HB   CYS  12          1HB       CYS  12  -3.958  -0.981   0.404
   43   2HB   CYS  12          2HB       CYS  12  -4.949   0.360  -0.183
   44    H    GLU  13           H        GLU  13  -4.673   0.962   4.102
   45    HA   GLU  13           HA       GLU  13  -6.588   2.932   4.225
   46   1HB   GLU  13          1HB       GLU  13  -3.945   2.791   5.647
   47   2HB   GLU  13          2HB       GLU  13  -5.276   3.850   6.092
   48   1HG   GLU  13          1HG       GLU  13  -6.698   1.912   6.494
   49   2HG   GLU  13          2HG       GLU  13  -5.369   0.844   6.044
   50    H    LYS  14           H        LYS  14  -3.393   3.075   2.823
   51    HA   LYS  14           HA       LYS  14  -3.426   5.873   2.716
   52   1HB   LYS  14          1HB       LYS  14  -1.530   3.875   1.559
   53   2HB   LYS  14          2HB       LYS  14  -1.307   5.584   1.211
   54   1HG   LYS  14          1HG       LYS  14  -1.124   6.017   3.633
   55   2HG   LYS  14          2HG       LYS  14  -1.300   4.282   3.929
   56   1HD   LYS  14          1HD       LYS  14   0.704   3.823   2.672
   57   2HD   LYS  14          2HD       LYS  14   0.855   5.535   2.259
   58   1HE   LYS  14          1HE       LYS  14   0.900   4.530   5.104
   59   2HE   LYS  14          2HE       LYS  14   2.358   4.746   4.138
   60   1HZ   LYS  14          1HZ       LYS  14   0.403   6.886   4.790
   61   2HZ   LYS  14          2HZ       LYS  14   1.800   7.062   3.870
   62   3HZ   LYS  14          3HZ       LYS  14   1.922   6.698   5.509
   63    H    CYS  15           H        CYS  15  -4.908   3.771   0.908
   64    HA   CYS  15           HA       CYS  15  -5.374   5.737  -1.265
   65   1HB   CYS  15          1HB       CYS  15  -5.072   4.282  -3.207
   66   2HB   CYS  15          2HB       CYS  15  -3.597   4.461  -2.248
   67    H    GLY  16           H        GLY  16  -6.746   2.990   0.280
   68   1HA   GLY  16          1HA       GLY  16  -9.024   2.691   0.531
   69   2HA   GLY  16          2HA       GLY  16  -9.306   3.706  -0.890
   70    H    SER  17           H        SER  17  -7.006   1.755  -1.970
   71    HA   SER  17           HA       SER  17  -8.831   0.131  -3.452
   72   1HB   SER  17          1HB       SER  17  -5.827   0.072  -3.232
   73   2HB   SER  17          2HB       SER  17  -6.747  -0.678  -4.538
   74    HG   SER  17           HG       SER  17  -7.560   1.793  -4.506
   75    H    LEU  18           H        LEU  18  -9.263  -2.051  -3.141
   76    HA   LEU  18           HA       LEU  18  -8.594  -3.257  -0.587
   77   1HB   LEU  18          1HB       LEU  18 -10.041  -4.348  -2.988
   78   2HB   LEU  18          2HB       LEU  18  -9.936  -5.142  -1.419
   79    HG   LEU  18           HG       LEU  18 -11.291  -2.483  -1.880
   80   1HD1  LEU  18          1HD1      LEU  18 -13.395  -3.717  -1.639
   81   2HD1  LEU  18          2HD1      LEU  18 -12.503  -5.232  -1.531
   82   3HD1  LEU  18          3HD1      LEU  18 -12.488  -4.311  -3.030
   83   1HD2  LEU  18          1HD2      LEU  18 -11.289  -4.363   0.473
   84   2HD2  LEU  18          2HD2      LEU  18 -12.243  -2.888   0.339
   85   3HD2  LEU  18          3HD2      LEU  18 -10.481  -2.799   0.388
   86    H    VAL  19           H        VAL  19  -6.663  -3.933  -0.347
   87    HA   VAL  19           HA       VAL  19  -5.278  -5.108  -2.656
   88    HB   VAL  19           HB       VAL  19  -4.044  -3.808  -0.220
   89   1HG1  VAL  19          1HG1      VAL  19  -2.724  -4.758  -2.753
   90   2HG1  VAL  19          2HG1      VAL  19  -2.567  -5.491  -1.156
   91   3HG1  VAL  19          3HG1      VAL  19  -1.934  -3.870  -1.450
   92   1HG2  VAL  19          1HG2      VAL  19  -5.188  -2.177  -1.598
   93   2HG2  VAL  19          2HG2      VAL  19  -4.341  -2.771  -3.028
   94   3HG2  VAL  19          3HG2      VAL  19  -3.441  -1.979  -1.736
   95    HA   PRO  20           HA       PRO  20  -5.191  -9.068  -0.550
   96   1HB   PRO  20          1HB       PRO  20  -2.741  -9.368  -2.194
   97   2HB   PRO  20          2HB       PRO  20  -4.150 -10.437  -2.061
   98   1HG   PRO  20          1HG       PRO  20  -3.777  -8.939  -4.221
   99   2HG   PRO  20          2HG       PRO  20  -5.405  -9.171  -3.538
  100   1HD   PRO  20          1HD       PRO  20  -3.588  -6.797  -3.324
  101   2HD   PRO  20          2HD       PRO  20  -5.356  -6.881  -3.523
  102    H    VAL  21           H        VAL  21  -4.311  -9.662   1.176
  103    HA   VAL  21           HA       VAL  21  -2.554  -8.271   2.752
  104    HB   VAL  21           HB       VAL  21  -4.088  -9.987   3.590
  105   1HG1  VAL  21          1HG1      VAL  21  -3.539 -12.365   3.522
  106   2HG1  VAL  21          2HG1      VAL  21  -2.177 -12.001   2.451
  107   3HG1  VAL  21          3HG1      VAL  21  -3.818 -11.680   1.918
  108   1HG2  VAL  21          1HG2      VAL  21  -2.325  -9.291   5.085
  109   2HG2  VAL  21          2HG2      VAL  21  -1.235 -10.504   4.399
  110   3HG2  VAL  21          3HG2      VAL  21  -2.674 -11.010   5.292
  111    H    TRP  22           H        TRP  22  -1.684 -10.827   0.459
  112    HA   TRP  22           HA       TRP  22   1.007 -10.921   1.292
  113   1HB   TRP  22          1HB       TRP  22   1.403 -12.187  -0.861
  114   2HB   TRP  22          2HB       TRP  22   0.214 -12.878   0.249
  115    HD1  TRP  22           HD1      TRP  22   0.368 -10.912  -3.079
  116    HE1  TRP  22           HE1      TRP  22  -1.721 -11.509  -4.440
  117    HE3  TRP  22           HE3      TRP  22  -2.025 -13.834   0.362
  118    HZ2  TRP  22           HZ2      TRP  22  -4.086 -13.056  -4.100
  119    HZ3  TRP  22           HZ3      TRP  22  -4.190 -14.839  -0.259
  120    HH2  TRP  22           HH2      TRP  22  -5.173 -14.447  -2.438
  121    H    ASP  23           H        ASP  23  -0.612  -8.656  -0.774
  122    HA   ASP  23           HA       ASP  23   1.892  -7.794  -2.007
  123   1HB   ASP  23          1HB       ASP  23  -0.991  -6.986  -2.297
  124   2HB   ASP  23          2HB       ASP  23   0.325  -6.004  -2.945
  125    H    MET  24           H        MET  24   0.222  -7.313   0.857
  126    HA   MET  24           HA       MET  24   0.131  -4.595   1.064
  127   1HB   MET  24          1HB       MET  24   0.140  -6.708   3.101
  128   2HB   MET  24          2HB       MET  24   0.440  -5.045   3.644
  129   1HG   MET  24          1HG       MET  24  -1.963  -6.083   2.153
  130   2HG   MET  24          2HG       MET  24  -1.883  -5.419   3.793
  131   1HE   MET  24          1HE       MET  24  -3.918  -4.479   1.715
  132   2HE   MET  24          2HE       MET  24  -3.856  -2.711   1.785
  133   3HE   MET  24          3HE       MET  24  -3.814  -3.658   3.281
  134    HA   PRO  25           HA       PRO  25   4.522  -4.289   3.225
  135   1HB   PRO  25          1HB       PRO  25   5.811  -6.488   1.674
  136   2HB   PRO  25          2HB       PRO  25   6.134  -5.938   3.331
  137   1HG   PRO  25          1HG       PRO  25   4.803  -8.194   2.893
  138   2HG   PRO  25          2HG       PRO  25   4.333  -7.101   4.204
  139   1HD   PRO  25          1HD       PRO  25   3.022  -7.543   1.554
  140   2HD   PRO  25          2HD       PRO  25   2.307  -7.191   3.142
  141    H    GLU  26           H        GLU  26   4.654  -5.815   0.036
  142    HA   GLU  26           HA       GLU  26   6.380  -4.092  -1.313
  143   1HB   GLU  26          1HB       GLU  26   4.245  -5.982  -2.022
  144   2HB   GLU  26          2HB       GLU  26   4.809  -4.991  -3.346
  145   1HG   GLU  26          1HG       GLU  26   5.958  -7.085  -3.362
  146   2HG   GLU  26          2HG       GLU  26   7.109  -5.857  -2.822
  147    H    HIS  27           H        HIS  27   2.896  -4.002  -1.202
  148    HA   HIS  27           HA       HIS  27   2.584  -1.746  -2.854
  149   1HB   HIS  27          1HB       HIS  27   0.920  -3.452  -2.515
  150   2HB   HIS  27          2HB       HIS  27   0.748  -3.013  -0.820
  151    HD1  HIS  27           HD1      HIS  27  -0.816  -2.332  -4.073
  152    HD2  HIS  27           HD2      HIS  27  -0.256  -0.356  -0.496
  153    HE1  HIS  27           HE1      HIS  27  -2.546  -0.475  -4.025
  154    H    MET  28           H        MET  28   2.594  -2.072   0.697
  155    HA   MET  28           HA       MET  28   2.094   0.666   1.148
  156   1HB   MET  28          1HB       MET  28   3.427  -1.326   2.985
  157   2HB   MET  28          2HB       MET  28   3.004   0.326   3.449
  158   1HG   MET  28          1HG       MET  28   0.631  -0.272   2.827
  159   2HG   MET  28          2HG       MET  28   1.178  -1.938   2.723
  160   1HE   MET  28          1HE       MET  28   1.180   0.579   6.602
  161   2HE   MET  28          2HE       MET  28   0.757   1.202   5.000
  162   3HE   MET  28          3HE       MET  28   2.421   0.791   5.377
  163    H    ASP  29           H        ASP  29   5.002  -1.127   0.580
  164    HA   ASP  29           HA       ASP  29   6.775   1.003   1.372
  165   1HB   ASP  29          1HB       ASP  29   7.545  -1.313   1.442
  166   2HB   ASP  29          2HB       ASP  29   7.245  -1.476  -0.296
  167    H    TYR  30           H        TYR  30   5.206   0.044  -1.578
  168    HA   TYR  30           HA       TYR  30   6.570   1.848  -3.257
  169   1HB   TYR  30          1HB       TYR  30   5.167   0.091  -4.237
  170   2HB   TYR  30          2HB       TYR  30   3.726   0.802  -3.493
  171    HD1  TYR  30           HD1      TYR  30   2.539   2.510  -4.587
  172    HD2  TYR  30           HD2      TYR  30   6.394   1.436  -6.007
  173    HE1  TYR  30           HE1      TYR  30   2.205   3.945  -6.543
  174    HE2  TYR  30           HE2      TYR  30   6.063   2.869  -7.980
  175    HH   TYR  30           HH       TYR  30   4.417   3.942  -9.201
  176    H    HIS  31           H        HIS  31   3.730   2.200  -1.184
  177    HA   HIS  31           HA       HIS  31   3.253   4.969  -1.845
  178   1HB   HIS  31          1HB       HIS  31   2.519   3.425   0.634
  179   2HB   HIS  31          2HB       HIS  31   2.254   5.161   0.509
  180    HD1  HIS  31           HD1      HIS  31   0.551   5.789  -1.663
  181    HD2  HIS  31           HD2      HIS  31   0.467   1.988  -0.025
  182    HE1  HIS  31           HE1      HIS  31  -1.647   4.839  -2.326
  183    H    PHE  32           H        PHE  32   5.369   3.412   0.568
  184    HA   PHE  32           HA       PHE  32   6.079   5.692   1.878
  185   1HB   PHE  32          1HB       PHE  32   7.220   3.019   1.452
  186   2HB   PHE  32          2HB       PHE  32   8.333   4.240   2.058
  187    HD1  PHE  32           HD1      PHE  32   5.459   2.124   2.802
  188    HD2  PHE  32           HD2      PHE  32   7.921   5.267   4.260
  189    HE1  PHE  32           HE1      PHE  32   4.582   1.755   5.065
  190    HE2  PHE  32           HE2      PHE  32   7.047   4.904   6.530
  191    HZ   PHE  32           HZ       PHE  32   5.371   3.148   6.936
  192    H    ALA  33           H        ALA  33   7.612   4.185  -0.964
  193    HA   ALA  33           HA       ALA  33   9.579   6.147  -1.294
  194   1HB   ALA  33          1HB       ALA  33   9.726   4.000  -2.411
  195   2HB   ALA  33          2HB       ALA  33   9.814   5.297  -3.602
  196   3HB   ALA  33          3HB       ALA  33   8.317   4.385  -3.398
  197    H    LEU  34           H        LEU  34   6.319   5.842  -2.536
  198    HA   LEU  34           HA       LEU  34   6.319   7.984  -4.356
  199   1HB   LEU  34          1HB       LEU  34   4.651   6.163  -4.273
  200   2HB   LEU  34          2HB       LEU  34   4.017   6.854  -2.780
  201    HG   LEU  34           HG       LEU  34   3.363   8.874  -4.037
  202   1HD1  LEU  34          1HD1      LEU  34   4.262   7.284  -6.431
  203   2HD1  LEU  34          2HD1      LEU  34   4.982   8.783  -5.836
  204   3HD1  LEU  34          3HD1      LEU  34   3.340   8.783  -6.478
  205   1HD2  LEU  34          1HD2      LEU  34   1.484   7.849  -5.212
  206   2HD2  LEU  34          2HD2      LEU  34   1.762   7.080  -3.652
  207   3HD2  LEU  34          3HD2      LEU  34   2.289   6.283  -5.136
  208    H    GLU  35           H        GLU  35   5.467   7.810  -0.918
  209    HA   GLU  35           HA       GLU  35   4.777  10.593  -0.783
  210   1HB   GLU  35          1HB       GLU  35   5.134   8.552   1.419
  211   2HB   GLU  35          2HB       GLU  35   4.515  10.180   1.643
  212   1HG   GLU  35          1HG       GLU  35   2.622   9.631   0.163
  213   2HG   GLU  35          2HG       GLU  35   3.242   7.975   0.038
  214    H    LEU  36           H        LEU  36   7.703   8.766  -0.601
  215    HA   LEU  36           HA       LEU  36   9.154  10.719   0.950
  216   1HB   LEU  36          1HB       LEU  36   9.884   8.399   1.005
  217   2HB   LEU  36          2HB       LEU  36   9.937   8.352  -0.754
  218    HG   LEU  36           HG       LEU  36  11.851   9.848  -0.744
  219   1HD1  LEU  36          1HD1      LEU  36  11.403  11.123   1.258
  220   2HD1  LEU  36          2HD1      LEU  36  13.001  10.380   1.376
  221   3HD1  LEU  36          3HD1      LEU  36  11.633   9.692   2.257
  222   1HD2  LEU  36          1HD2      LEU  36  12.151   7.448   1.045
  223   2HD2  LEU  36          2HD2      LEU  36  13.477   8.294   0.254
  224   3HD2  LEU  36          3HD2      LEU  36  12.250   7.475  -0.718
  225    H    GLN  37           H        GLN  37   8.790   9.805  -2.371
  226    HA   GLN  37           HA       GLN  37  10.343  11.923  -3.480
  227   1HB   GLN  37          1HB       GLN  37   8.074  10.335  -4.663
  228   2HB   GLN  37          2HB       GLN  37   9.112  11.429  -5.583
  229   1HG   GLN  37          1HG       GLN  37  11.033  10.030  -5.056
  230   2HG   GLN  37          2HG       GLN  37   9.986   8.942  -4.128
  231   1HE2  GLN  37          1HE2      GLN  37   7.810   9.230  -6.089
  232   2HE2  GLN  37          2HE2      GLN  37   8.291   8.265  -7.450
  233    H    LYS  38           H        LYS  38   7.289  11.701  -2.115
  234    HA   LYS  38           HA       LYS  38   5.527  12.982  -1.750
  235   1HB   LYS  38          1HB       LYS  38   5.908  15.319  -1.121
  236   2HB   LYS  38          2HB       LYS  38   7.129  14.248  -0.438
  237   1HG   LYS  38          1HG       LYS  38   8.695  15.036  -2.190
  238   2HG   LYS  38          2HG       LYS  38   7.442  16.170  -2.737
  239   1HD   LYS  38          1HD       LYS  38   7.398  17.174  -0.526
  240   2HD   LYS  38          2HD       LYS  38   8.646  16.053   0.018
  241   1HE   LYS  38          1HE       LYS  38  10.165  16.991  -1.712
  242   2HE   LYS  38          2HE       LYS  38   8.912  18.169  -2.108
  243   1HZ   LYS  38          1HZ       LYS  38  10.194  17.855   0.538
  244   2HZ   LYS  38          2HZ       LYS  38   9.024  19.003   0.152
  245   3HZ   LYS  38          3HZ       LYS  38  10.551  19.081  -0.563
  246    H    SER  39           H        SER  39   5.843  12.259  -4.336
  247    HA   SER  39           HA       SER  39   5.034  14.477  -5.972
  248   1HB   SER  39          1HB       SER  39   5.059  12.634  -7.715
  249   2HB   SER  39          2HB       SER  39   6.604  12.951  -6.913
  250    HG   SER  39           HG       SER  39   4.773  11.040  -6.010
  Start of MODEL    5
    1    H    ALA   6           H        ALA   6 -11.150 -14.973  -3.454
    2    HA   ALA   6           HA       ALA   6  -9.359 -15.272  -1.213
    3   1HB   ALA   6          1HB       ALA   6  -8.374 -14.903  -3.426
    4   2HB   ALA   6          2HB       ALA   6  -7.980 -13.568  -2.342
    5   3HB   ALA   6          3HB       ALA   6  -9.235 -13.370  -3.564
    6    H    GLU   7           H        GLU   7 -10.257 -14.458   0.596
    7    HA   GLU   7           HA       GLU   7 -11.433 -11.785   0.402
    8   1HB   GLU   7          1HB       GLU   7 -11.932 -13.850   2.552
    9   2HB   GLU   7          2HB       GLU   7 -12.669 -12.249   2.452
   10   1HG   GLU   7          1HG       GLU   7 -13.533 -12.973   0.183
   11   2HG   GLU   7          2HG       GLU   7 -13.074 -14.602   0.654
   12    H    ASP   8           H        ASP   8  -8.648 -13.016   1.020
   13    HA   ASP   8           HA       ASP   8  -7.959 -11.373   3.372
   14   1HB   ASP   8          1HB       ASP   8  -6.380 -13.424   1.800
   15   2HB   ASP   8          2HB       ASP   8  -5.657 -12.352   3.006
   16    H    GLN   9           H        GLN   9  -8.884  -9.838   1.719
   17    HA   GLN   9           HA       GLN   9  -6.603  -8.547   0.514
   18   1HB   GLN   9          1HB       GLN   9  -9.507  -8.440  -0.343
   19   2HB   GLN   9          2HB       GLN   9  -8.216  -7.473  -1.061
   20   1HG   GLN   9          1HG       GLN   9  -7.168  -9.512  -1.870
   21   2HG   GLN   9          2HG       GLN   9  -8.469 -10.473  -1.144
   22   1HE2  GLN   9          1HE2      GLN   9 -10.487  -8.482  -1.845
   23   2HE2  GLN   9          2HE2      GLN   9 -10.754  -8.632  -3.547
   24    H    VAL  10           H        VAL  10  -6.229  -6.843   1.837
   25    HA   VAL  10           HA       VAL  10  -8.479  -5.855   3.412
   26    HB   VAL  10           HB       VAL  10  -6.726  -4.990   5.038
   27   1HG1  VAL  10          1HG1      VAL  10  -6.346  -7.175   6.089
   28   2HG1  VAL  10          2HG1      VAL  10  -6.813  -7.973   4.589
   29   3HG1  VAL  10          3HG1      VAL  10  -7.998  -7.024   5.490
   30   1HG2  VAL  10          1HG2      VAL  10  -4.808  -5.052   3.502
   31   2HG2  VAL  10          2HG2      VAL  10  -4.901  -6.812   3.460
   32   3HG2  VAL  10          3HG2      VAL  10  -4.499  -5.986   4.964
   33    HA   PRO  11           HA       PRO  11  -8.086  -2.123   1.282
   34   1HB   PRO  11          1HB       PRO  11  -8.951  -0.348   3.059
   35   2HB   PRO  11          2HB       PRO  11 -10.065  -1.418   2.189
   36   1HG   PRO  11          1HG       PRO  11  -9.029  -1.636   4.992
   37   2HG   PRO  11          2HG       PRO  11 -10.644  -2.039   4.359
   38   1HD   PRO  11          1HD       PRO  11  -8.732  -3.911   4.886
   39   2HD   PRO  11          2HD       PRO  11  -9.971  -4.110   3.632
   40    H    CYS  12           H        CYS  12  -6.458  -0.898   0.921
   41    HA   CYS  12           HA       CYS  12  -4.256  -0.605   2.706
   42   1HB   CYS  12          1HB       CYS  12  -3.884  -0.791   0.349
   43   2HB   CYS  12          2HB       CYS  12  -4.979   0.559   0.037
   44    H    GLU  13           H        GLU  13  -4.305   0.815   4.356
   45    HA   GLU  13           HA       GLU  13  -6.169   2.834   4.812
   46   1HB   GLU  13          1HB       GLU  13  -3.352   2.550   5.826
   47   2HB   GLU  13          2HB       GLU  13  -4.517   3.707   6.452
   48   1HG   GLU  13          1HG       GLU  13  -4.849   0.719   6.477
   49   2HG   GLU  13          2HG       GLU  13  -4.326   1.704   7.841
   50    H    LYS  14           H        LYS  14  -3.283   3.005   2.907
   51    HA   LYS  14           HA       LYS  14  -3.523   5.803   2.909
   52   1HB   LYS  14          1HB       LYS  14  -1.536   3.952   1.933
   53   2HB   LYS  14          2HB       LYS  14  -1.545   5.468   1.046
   54   1HG   LYS  14          1HG       LYS  14  -1.404   6.620   3.300
   55   2HG   LYS  14          2HG       LYS  14  -1.096   5.021   3.982
   56   1HD   LYS  14          1HD       LYS  14   0.872   4.754   2.781
   57   2HD   LYS  14          2HD       LYS  14   0.465   6.060   1.665
   58   1HE   LYS  14          1HE       LYS  14   2.227   6.746   3.231
   59   2HE   LYS  14          2HE       LYS  14   0.761   7.706   3.377
   60   1HZ   LYS  14          1HZ       LYS  14   1.510   5.481   5.194
   61   2HZ   LYS  14          2HZ       LYS  14   0.188   6.546   5.373
   62   3HZ   LYS  14          3HZ       LYS  14   1.767   7.121   5.472
   63    H    CYS  15           H        CYS  15  -4.995   3.550   1.120
   64    HA   CYS  15           HA       CYS  15  -5.747   5.637  -0.784
   65   1HB   CYS  15          1HB       CYS  15  -5.435   4.432  -2.898
   66   2HB   CYS  15          2HB       CYS  15  -3.923   4.668  -2.018
   67    H    GLY  16           H        GLY  16  -6.893   2.914   0.839
   68   1HA   GLY  16          1HA       GLY  16  -9.108   2.383   1.151
   69   2HA   GLY  16          2HA       GLY  16  -9.530   3.435  -0.208
   70    H    SER  17           H        SER  17  -7.134   1.552  -1.285
   71    HA   SER  17           HA       SER  17  -8.948  -0.059  -2.838
   72   1HB   SER  17          1HB       SER  17  -5.960   0.128  -2.780
   73   2HB   SER  17          2HB       SER  17  -6.848  -0.737  -4.032
   74    HG   SER  17           HG       SER  17  -7.797   1.788  -3.714
   75    H    LEU  18           H        LEU  18  -9.313  -2.171  -2.563
   76    HA   LEU  18           HA       LEU  18  -8.394  -3.520  -0.188
   77   1HB   LEU  18          1HB       LEU  18 -10.034  -4.493  -2.515
   78   2HB   LEU  18          2HB       LEU  18  -9.784  -5.369  -1.007
   79    HG   LEU  18           HG       LEU  18 -11.208  -2.717  -1.205
   80   1HD1  LEU  18          1HD1      LEU  18 -12.317  -5.509  -0.959
   81   2HD1  LEU  18          2HD1      LEU  18 -12.455  -4.460  -2.374
   82   3HD1  LEU  18          3HD1      LEU  18 -13.252  -4.015  -0.860
   83   1HD2  LEU  18          1HD2      LEU  18 -11.958  -3.253   1.056
   84   2HD2  LEU  18          2HD2      LEU  18 -10.200  -3.168   0.972
   85   3HD2  LEU  18          3HD2      LEU  18 -11.005  -4.734   1.026
   86    H    VAL  19           H        VAL  19  -6.395  -4.072  -0.266
   87    HA   VAL  19           HA       VAL  19  -5.305  -5.190  -2.762
   88    HB   VAL  19           HB       VAL  19  -3.783  -4.013  -0.411
   89   1HG1  VAL  19          1HG1      VAL  19  -2.455  -5.692  -1.572
   90   2HG1  VAL  19          2HG1      VAL  19  -1.811  -4.074  -1.840
   91   3HG1  VAL  19          3HG1      VAL  19  -2.745  -4.871  -3.107
   92   1HG2  VAL  19          1HG2      VAL  19  -4.346  -2.858  -3.132
   93   2HG2  VAL  19          2HG2      VAL  19  -3.300  -2.136  -1.913
   94   3HG2  VAL  19          3HG2      VAL  19  -5.029  -2.312  -1.603
   95    HA   PRO  20           HA       PRO  20  -5.150  -9.286  -0.957
   96   1HB   PRO  20          1HB       PRO  20  -2.663  -9.352  -2.611
   97   2HB   PRO  20          2HB       PRO  20  -3.966 -10.551  -2.500
   98   1HG   PRO  20          1HG       PRO  20  -3.803  -8.932  -4.599
   99   2HG   PRO  20          2HG       PRO  20  -5.380  -9.331  -3.873
  100   1HD   PRO  20          1HD       PRO  20  -3.787  -6.813  -3.691
  101   2HD   PRO  20          2HD       PRO  20  -5.548  -7.050  -3.717
  102    H    VAL  21           H        VAL  21  -4.389  -9.772   0.882
  103    HA   VAL  21           HA       VAL  21  -2.738  -8.338   2.496
  104    HB   VAL  21           HB       VAL  21  -4.346 -10.168   3.098
  105   1HG1  VAL  21          1HG1      VAL  21  -3.598 -11.979   1.800
  106   2HG1  VAL  21          2HG1      VAL  21  -3.502 -12.427   3.506
  107   3HG1  VAL  21          3HG1      VAL  21  -2.039 -11.993   2.618
  108   1HG2  VAL  21          1HG2      VAL  21  -3.083  -9.058   4.803
  109   2HG2  VAL  21          2HG2      VAL  21  -1.738 -10.199   4.604
  110   3HG2  VAL  21          3HG2      VAL  21  -3.327 -10.755   5.175
  111    H    TRP  22           H        TRP  22  -1.701 -10.908   0.318
  112    HA   TRP  22           HA       TRP  22   0.940 -10.998   1.319
  113   1HB   TRP  22          1HB       TRP  22   1.387 -12.410  -0.762
  114   2HB   TRP  22          2HB       TRP  22   0.187 -12.994   0.391
  115    HD1  TRP  22           HD1      TRP  22   0.443 -11.510  -3.158
  116    HE1  TRP  22           HE1      TRP  22  -1.719 -12.122  -4.430
  117    HE3  TRP  22           HE3      TRP  22  -2.195 -13.585   0.663
  118    HZ2  TRP  22           HZ2      TRP  22  -4.218 -13.324  -3.877
  119    HZ3  TRP  22           HZ3      TRP  22  -4.480 -14.450   0.201
  120    HH2  TRP  22           HH2      TRP  22  -5.441 -14.307  -2.022
  121    H    ASP  23           H        ASP  23  -0.543  -8.760  -0.828
  122    HA   ASP  23           HA       ASP  23   2.049  -7.984  -2.007
  123   1HB   ASP  23          1HB       ASP  23  -0.793  -7.137  -2.619
  124   2HB   ASP  23          2HB       ASP  23   0.623  -6.316  -3.278
  125    H    MET  24           H        MET  24   0.206  -7.382   0.655
  126    HA   MET  24           HA       MET  24   0.126  -4.651   0.809
  127   1HB   MET  24          1HB       MET  24  -0.030  -6.711   2.886
  128   2HB   MET  24          2HB       MET  24   0.341  -5.066   3.423
  129   1HG   MET  24          1HG       MET  24  -2.002  -5.950   1.781
  130   2HG   MET  24          2HG       MET  24  -2.022  -5.378   3.460
  131   1HE   MET  24          1HE       MET  24  -3.744  -3.399   3.068
  132   2HE   MET  24          2HE       MET  24  -3.892  -4.270   1.547
  133   3HE   MET  24          3HE       MET  24  -3.762  -2.504   1.536
  134    HA   PRO  25           HA       PRO  25   4.442  -4.332   3.189
  135   1HB   PRO  25          1HB       PRO  25   5.707  -6.552   1.623
  136   2HB   PRO  25          2HB       PRO  25   6.086  -5.972   3.257
  137   1HG   PRO  25          1HG       PRO  25   4.705  -8.220   2.908
  138   2HG   PRO  25          2HG       PRO  25   4.293  -7.095   4.210
  139   1HD   PRO  25          1HD       PRO  25   2.878  -7.609   1.637
  140   2HD   PRO  25          2HD       PRO  25   2.226  -7.130   3.219
  141    H    GLU  26           H        GLU  26   4.526  -5.798  -0.027
  142    HA   GLU  26           HA       GLU  26   6.243  -4.105  -1.373
  143   1HB   GLU  26          1HB       GLU  26   4.063  -5.948  -2.065
  144   2HB   GLU  26          2HB       GLU  26   4.614  -4.913  -3.367
  145   1HG   GLU  26          1HG       GLU  26   6.334  -6.734  -1.697
  146   2HG   GLU  26          2HG       GLU  26   5.723  -7.091  -3.329
  147    H    HIS  27           H        HIS  27   2.767  -3.951  -1.388
  148    HA   HIS  27           HA       HIS  27   2.546  -1.637  -2.983
  149   1HB   HIS  27          1HB       HIS  27   0.833  -3.285  -2.761
  150   2HB   HIS  27          2HB       HIS  27   0.636  -2.941  -1.049
  151    HD1  HIS  27           HD1      HIS  27  -0.943  -2.118  -4.218
  152    HD2  HIS  27           HD2      HIS  27  -0.243  -0.192  -0.634
  153    HE1  HIS  27           HE1      HIS  27  -2.632  -0.266  -4.094
  154    H    MET  28           H        MET  28   2.373  -2.052   0.513
  155    HA   MET  28           HA       MET  28   1.900   0.684   1.022
  156   1HB   MET  28          1HB       MET  28   2.908  -1.504   2.811
  157   2HB   MET  28          2HB       MET  28   2.673   0.157   3.376
  158   1HG   MET  28          1HG       MET  28   0.568  -1.662   2.222
  159   2HG   MET  28          2HG       MET  28   0.749  -1.223   3.922
  160   1HE   MET  28          1HE       MET  28  -0.137   2.574   3.943
  161   2HE   MET  28          2HE       MET  28   1.468   1.857   3.827
  162   3HE   MET  28          3HE       MET  28   0.267   1.159   4.912
  163    H    ASP  29           H        ASP  29   4.818  -1.153   0.607
  164    HA   ASP  29           HA       ASP  29   6.548   0.965   1.558
  165   1HB   ASP  29          1HB       ASP  29   7.329  -1.374   1.516
  166   2HB   ASP  29          2HB       ASP  29   7.206  -1.372  -0.249
  167    H    TYR  30           H        TYR  30   5.074   0.143  -1.440
  168    HA   TYR  30           HA       TYR  30   6.550   1.906  -3.051
  169   1HB   TYR  30          1HB       TYR  30   4.981   0.097  -3.895
  170   2HB   TYR  30          2HB       TYR  30   3.642   1.163  -3.443
  171    HD1  TYR  30           HD1      TYR  30   6.552   0.774  -5.668
  172    HD2  TYR  30           HD2      TYR  30   3.031   3.014  -4.848
  173    HE1  TYR  30           HE1      TYR  30   6.747   1.866  -7.860
  174    HE2  TYR  30           HE2      TYR  30   3.219   4.116  -7.043
  175    HH   TYR  30           HH       TYR  30   5.200   2.968  -9.471
  176    H    HIS  31           H        HIS  31   3.611   2.333  -1.136
  177    HA   HIS  31           HA       HIS  31   3.252   5.144  -1.794
  178   1HB   HIS  31          1HB       HIS  31   2.355   3.610   0.640
  179   2HB   HIS  31          2HB       HIS  31   2.153   5.352   0.487
  180    HD1  HIS  31           HD1      HIS  31   0.353   6.127  -1.271
  181    HD2  HIS  31           HD2      HIS  31   0.516   2.101  -0.423
  182    HE1  HIS  31           HE1      HIS  31  -1.898   5.194  -1.990
  183    H    PHE  32           H        PHE  32   5.097   3.450   0.790
  184    HA   PHE  32           HA       PHE  32   5.664   5.638   2.294
  185   1HB   PHE  32          1HB       PHE  32   6.870   2.987   1.844
  186   2HB   PHE  32          2HB       PHE  32   7.848   4.168   2.706
  187    HD1  PHE  32           HD1      PHE  32   5.340   1.674   3.003
  188    HD2  PHE  32           HD2      PHE  32   6.674   5.318   4.721
  189    HE1  PHE  32           HE1      PHE  32   4.128   1.136   5.059
  190    HE2  PHE  32           HE2      PHE  32   5.459   4.787   6.791
  191    HZ   PHE  32           HZ       PHE  32   4.185   2.697   6.963
  192    H    ALA  33           H        ALA  33   7.638   4.175  -0.230
  193    HA   ALA  33           HA       ALA  33   9.620   6.231  -0.174
  194   1HB   ALA  33          1HB       ALA  33  10.082   3.961  -1.009
  195   2HB   ALA  33          2HB       ALA  33  10.522   5.201  -2.180
  196   3HB   ALA  33          3HB       ALA  33   9.035   4.273  -2.392
  197    H    LEU  34           H        LEU  34   6.724   5.764  -2.085
  198    HA   LEU  34           HA       LEU  34   7.230   7.766  -4.041
  199   1HB   LEU  34          1HB       LEU  34   5.562   5.986  -4.340
  200   2HB   LEU  34          2HB       LEU  34   4.589   6.695  -3.052
  201    HG   LEU  34           HG       LEU  34   4.300   8.714  -4.477
  202   1HD1  LEU  34          1HD1      LEU  34   6.273   8.500  -5.850
  203   2HD1  LEU  34          2HD1      LEU  34   4.822   8.526  -6.860
  204   3HD1  LEU  34          3HD1      LEU  34   5.645   6.997  -6.530
  205   1HD2  LEU  34          1HD2      LEU  34   2.594   6.979  -4.392
  206   2HD2  LEU  34          2HD2      LEU  34   3.412   6.102  -5.689
  207   3HD2  LEU  34          3HD2      LEU  34   2.694   7.682  -6.008
  208    H    GLU  35           H        GLU  35   5.360   7.809  -1.033
  209    HA   GLU  35           HA       GLU  35   4.760  10.608  -1.397
  210   1HB   GLU  35          1HB       GLU  35   3.997   8.644   0.746
  211   2HB   GLU  35          2HB       GLU  35   3.474  10.327   0.695
  212   1HG   GLU  35          1HG       GLU  35   2.388   9.935  -1.446
  213   2HG   GLU  35          2HG       GLU  35   2.913   8.245  -1.402
  214    H    LEU  36           H        LEU  36   7.269   8.810   0.017
  215    HA   LEU  36           HA       LEU  36   8.030  10.707   1.981
  216   1HB   LEU  36          1HB       LEU  36   8.818   8.399   2.025
  217   2HB   LEU  36          2HB       LEU  36   9.527   8.580   0.429
  218    HG   LEU  36           HG       LEU  36  11.190  10.078   1.357
  219   1HD1  LEU  36          1HD1      LEU  36   9.935  10.981   3.256
  220   2HD1  LEU  36          2HD1      LEU  36  11.445  10.266   3.819
  221   3HD1  LEU  36          3HD1      LEU  36   9.924   9.395   4.027
  222   1HD2  LEU  36          1HD2      LEU  36  11.704   7.739   1.165
  223   2HD2  LEU  36          2HD2      LEU  36  10.985   7.418   2.743
  224   3HD2  LEU  36          3HD2      LEU  36  12.454   8.387   2.624
  225    H    GLN  37           H        GLN  37   7.951  10.748  -1.387
  226    HA   GLN  37           HA       GLN  37  10.231  12.445  -1.821
  227   1HB   GLN  37          1HB       GLN  37   7.954  11.706  -3.663
  228   2HB   GLN  37          2HB       GLN  37   9.448  12.522  -4.140
  229   1HG   GLN  37          1HG       GLN  37  10.737  10.578  -3.628
  230   2HG   GLN  37          2HG       GLN  37   9.322   9.778  -2.924
  231   1HE2  GLN  37          1HE2      GLN  37   9.474   8.057  -4.283
  232   2HE2  GLN  37          2HE2      GLN  37   9.078   8.143  -5.975
  233    H    LYS  38           H        LYS  38   7.109  12.972  -0.642
  234    HA   LYS  38           HA       LYS  38   7.393  15.804  -1.233
  235   1HB   LYS  38          1HB       LYS  38   5.014  16.075  -1.862
  236   2HB   LYS  38          2HB       LYS  38   5.977  15.127  -3.001
  237   1HG   LYS  38          1HG       LYS  38   4.991  13.070  -2.101
  238   2HG   LYS  38          2HG       LYS  38   4.027  14.045  -0.974
  239   1HD   LYS  38          1HD       LYS  38   2.713  13.369  -2.946
  240   2HD   LYS  38          2HD       LYS  38   2.906  15.122  -2.869
  241   1HE   LYS  38          1HE       LYS  38   4.659  15.035  -4.540
  242   2HE   LYS  38          2HE       LYS  38   4.611  13.275  -4.531
  243   1HZ   LYS  38          1HZ       LYS  38   2.363  13.397  -5.416
  244   2HZ   LYS  38          2HZ       LYS  38   3.447  14.182  -6.423
  245   3HZ   LYS  38          3HZ       LYS  38   2.434  15.077  -5.433
  246    H    SER  39           H        SER  39   5.846  13.380   0.840
  247    HA   SER  39           HA       SER  39   5.485  15.580   2.699
  248   1HB   SER  39          1HB       SER  39   3.587  14.216   3.669
  249   2HB   SER  39          2HB       SER  39   3.281  14.847   2.052
  250    HG   SER  39           HG       SER  39   4.403  12.315   2.420
  Start of MODEL    6
    1    H    ALA   6           H        ALA   6 -13.593 -11.525  -0.269
    2    HA   ALA   6           HA       ALA   6 -10.875 -10.439  -0.550
    3   1HB   ALA   6          1HB       ALA   6 -12.545  -8.775  -1.180
    4   2HB   ALA   6          2HB       ALA   6 -11.683  -8.301   0.287
    5   3HB   ALA   6          3HB       ALA   6 -13.312  -8.959   0.398
    6    H    GLU   7           H        GLU   7 -11.709 -12.712   1.080
    7    HA   GLU   7           HA       GLU   7 -11.877 -11.905   3.800
    8   1HB   GLU   7          1HB       GLU   7 -10.790 -14.510   2.683
    9   2HB   GLU   7          2HB       GLU   7 -11.127 -14.201   4.387
   10   1HG   GLU   7          1HG       GLU   7 -12.893 -15.514   3.585
   11   2HG   GLU   7          2HG       GLU   7 -13.535 -13.878   3.698
   12    H    ASP   8           H        ASP   8  -9.353 -12.404   1.595
   13    HA   ASP   8           HA       ASP   8  -7.399 -11.355   3.557
   14   1HB   ASP   8          1HB       ASP   8  -6.912 -13.515   1.490
   15   2HB   ASP   8          2HB       ASP   8  -5.620 -12.588   2.251
   16    H    GLN   9           H        GLN   9  -9.076  -9.910   1.821
   17    HA   GLN   9           HA       GLN   9  -6.878  -8.563   0.567
   18   1HB   GLN   9          1HB       GLN   9  -9.721  -8.656  -0.473
   19   2HB   GLN   9          2HB       GLN   9  -8.503  -7.516  -1.050
   20   1HG   GLN   9          1HG       GLN   9  -7.149  -9.469  -1.760
   21   2HG   GLN   9          2HG       GLN   9  -8.532 -10.504  -1.350
   22   1HE2  GLN   9          1HE2      GLN   9 -10.371 -10.414  -2.627
   23   2HE2  GLN   9          2HE2      GLN   9 -10.407  -9.597  -4.144
   24    H    VAL  10           H        VAL  10  -6.552  -6.801   1.711
   25    HA   VAL  10           HA       VAL  10  -8.809  -5.776   3.223
   26    HB   VAL  10           HB       VAL  10  -7.111  -4.919   4.895
   27   1HG1  VAL  10          1HG1      VAL  10  -6.789  -7.077   5.991
   28   2HG1  VAL  10          2HG1      VAL  10  -7.143  -7.907   4.478
   29   3HG1  VAL  10          3HG1      VAL  10  -8.405  -6.981   5.286
   30   1HG2  VAL  10          1HG2      VAL  10  -4.884  -5.940   4.913
   31   2HG2  VAL  10          2HG2      VAL  10  -5.132  -4.994   3.445
   32   3HG2  VAL  10          3HG2      VAL  10  -5.239  -6.752   3.388
   33    HA   PRO  11           HA       PRO  11  -8.325  -2.102   0.925
   34   1HB   PRO  11          1HB       PRO  11  -9.357  -0.354   2.705
   35   2HB   PRO  11          2HB       PRO  11 -10.346  -1.332   1.605
   36   1HG   PRO  11          1HG       PRO  11  -9.781  -1.732   4.510
   37   2HG   PRO  11          2HG       PRO  11 -11.252  -2.105   3.585
   38   1HD   PRO  11          1HD       PRO  11  -9.459  -4.006   4.335
   39   2HD   PRO  11          2HD       PRO  11 -10.439  -4.116   2.861
   40    H    CYS  12           H        CYS  12  -6.659  -0.897   0.724
   41    HA   CYS  12           HA       CYS  12  -4.640  -0.596   2.707
   42   1HB   CYS  12          1HB       CYS  12  -4.052  -0.821   0.417
   43   2HB   CYS  12          2HB       CYS  12  -5.095   0.528  -0.034
   44    H    GLU  13           H        GLU  13  -4.562   0.964   4.177
   45    HA   GLU  13           HA       GLU  13  -6.599   2.897   4.657
   46   1HB   GLU  13          1HB       GLU  13  -3.757   3.139   5.633
   47   2HB   GLU  13          2HB       GLU  13  -5.199   3.802   6.357
   48   1HG   GLU  13          1HG       GLU  13  -4.513   2.026   7.739
   49   2HG   GLU  13          2HG       GLU  13  -5.904   1.426   6.843
   50    H    LYS  14           H        LYS  14  -3.630   3.076   2.948
   51    HA   LYS  14           HA       LYS  14  -3.795   5.867   2.890
   52   1HB   LYS  14          1HB       LYS  14  -1.768   3.961   1.928
   53   2HB   LYS  14          2HB       LYS  14  -1.600   5.616   1.369
   54   1HG   LYS  14          1HG       LYS  14  -1.675   6.317   3.788
   55   2HG   LYS  14          2HG       LYS  14  -1.661   4.610   4.216
   56   1HD   LYS  14          1HD       LYS  14   0.481   4.324   3.146
   57   2HD   LYS  14          2HD       LYS  14   0.445   6.003   2.584
   58   1HE   LYS  14          1HE       LYS  14   1.885   5.781   4.563
   59   2HE   LYS  14          2HE       LYS  14   0.488   6.799   4.894
   60   1HZ   LYS  14          1HZ       LYS  14   0.772   3.946   5.699
   61   2HZ   LYS  14          2HZ       LYS  14  -0.549   4.914   6.057
   62   3HZ   LYS  14          3HZ       LYS  14   0.963   5.271   6.702
   63    H    CYS  15           H        CYS  15  -5.176   3.703   1.032
   64    HA   CYS  15           HA       CYS  15  -5.728   5.736  -1.012
   65   1HB   CYS  15          1HB       CYS  15  -5.365   4.383  -3.024
   66   2HB   CYS  15          2HB       CYS  15  -3.893   4.601  -2.072
   67    H    GLY  16           H        GLY  16  -6.974   3.008   0.589
   68   1HA   GLY  16          1HA       GLY  16  -9.175   2.483   0.862
   69   2HA   GLY  16          2HA       GLY  16  -9.583   3.617  -0.434
   70    H    SER  17           H        SER  17  -7.195   1.738  -1.618
   71    HA   SER  17           HA       SER  17  -9.028   0.146  -3.153
   72   1HB   SER  17          1HB       SER  17  -6.038   0.465  -3.186
   73   2HB   SER  17          2HB       SER  17  -6.918  -0.409  -4.436
   74    HG   SER  17           HG       SER  17  -7.825   1.430  -5.097
   75    H    LEU  18           H        LEU  18  -9.223  -2.050  -3.050
   76    HA   LEU  18           HA       LEU  18  -8.451  -3.407  -0.615
   77   1HB   LEU  18          1HB       LEU  18  -9.811  -4.414  -3.103
   78   2HB   LEU  18          2HB       LEU  18  -9.597  -5.342  -1.621
   79    HG   LEU  18           HG       LEU  18 -11.194  -2.800  -1.812
   80   1HD1  LEU  18          1HD1      LEU  18 -12.106  -5.678  -1.763
   81   2HD1  LEU  18          2HD1      LEU  18 -12.232  -4.576  -3.138
   82   3HD1  LEU  18          3HD1      LEU  18 -13.162  -4.270  -1.669
   83   1HD2  LEU  18          1HD2      LEU  18 -12.075  -3.504   0.360
   84   2HD2  LEU  18          2HD2      LEU  18 -10.332  -3.253   0.411
   85   3HD2  LEU  18          3HD2      LEU  18 -10.985  -4.890   0.347
   86    H    VAL  19           H        VAL  19  -6.544  -4.090  -0.353
   87    HA   VAL  19           HA       VAL  19  -5.081  -5.137  -2.689
   88    HB   VAL  19           HB       VAL  19  -3.902  -4.076  -0.116
   89   1HG1  VAL  19          1HG1      VAL  19  -2.435  -5.681  -1.180
   90   2HG1  VAL  19          2HG1      VAL  19  -1.767  -4.056  -1.318
   91   3HG1  VAL  19          3HG1      VAL  19  -2.554  -4.807  -2.707
   92   1HG2  VAL  19          1HG2      VAL  19  -3.228  -2.109  -1.426
   93   2HG2  VAL  19          2HG2      VAL  19  -4.981  -2.282  -1.323
   94   3HG2  VAL  19          3HG2      VAL  19  -4.138  -2.738  -2.802
   95    HA   PRO  20           HA       PRO  20  -5.212  -9.228  -0.781
   96   1HB   PRO  20          1HB       PRO  20  -2.655  -9.420  -2.310
   97   2HB   PRO  20          2HB       PRO  20  -4.030 -10.545  -2.277
   98   1HG   PRO  20          1HG       PRO  20  -3.636  -8.959  -4.370
   99   2HG   PRO  20          2HG       PRO  20  -5.277  -9.260  -3.750
  100   1HD   PRO  20          1HD       PRO  20  -3.543  -6.836  -3.427
  101   2HD   PRO  20          2HD       PRO  20  -5.304  -6.963  -3.641
  102    H    VAL  21           H        VAL  21  -4.472  -9.687   1.111
  103    HA   VAL  21           HA       VAL  21  -2.873  -8.188   2.687
  104    HB   VAL  21           HB       VAL  21  -4.389  -9.946   3.480
  105   1HG1  VAL  21          1HG1      VAL  21  -3.752 -11.759   2.017
  106   2HG1  VAL  21          2HG1      VAL  21  -3.691 -12.248   3.710
  107   3HG1  VAL  21          3HG1      VAL  21  -2.199 -11.888   2.839
  108   1HG2  VAL  21          1HG2      VAL  21  -1.623 -10.108   4.631
  109   2HG2  VAL  21          2HG2      VAL  21  -3.102 -10.665   5.419
  110   3HG2  VAL  21          3HG2      VAL  21  -2.885  -8.946   5.066
  111    H    TRP  22           H        TRP  22  -1.679 -10.803   0.629
  112    HA   TRP  22           HA       TRP  22   0.913 -10.726   1.773
  113   1HB   TRP  22          1HB       TRP  22   1.520 -12.287  -0.147
  114   2HB   TRP  22          2HB       TRP  22   0.288 -12.824   1.001
  115    HD1  TRP  22           HD1      TRP  22   0.638 -11.561  -2.611
  116    HE1  TRP  22           HE1      TRP  22  -1.417 -12.361  -3.935
  117    HE3  TRP  22           HE3      TRP  22  -2.027 -13.594   1.206
  118    HZ2  TRP  22           HZ2      TRP  22  -3.857 -13.701  -3.418
  119    HZ3  TRP  22           HZ3      TRP  22  -4.216 -14.621   0.703
  120    HH2  TRP  22           HH2      TRP  22  -5.090 -14.659  -1.555
  121    H    ASP  23           H        ASP  23  -0.608  -8.719  -0.522
  122    HA   ASP  23           HA       ASP  23   1.928  -7.962  -1.780
  123   1HB   ASP  23          1HB       ASP  23  -0.965  -7.417  -2.433
  124   2HB   ASP  23          2HB       ASP  23   0.305  -6.343  -3.026
  125    H    MET  24           H        MET  24   0.090  -7.290   0.859
  126    HA   MET  24           HA       MET  24   0.063  -4.562   0.984
  127   1HB   MET  24          1HB       MET  24   0.031  -6.598   3.103
  128   2HB   MET  24          2HB       MET  24   0.417  -4.937   3.590
  129   1HG   MET  24          1HG       MET  24  -2.010  -5.864   2.093
  130   2HG   MET  24          2HG       MET  24  -1.944  -5.300   3.776
  131   1HE   MET  24          1HE       MET  24  -3.930  -4.194   1.821
  132   2HE   MET  24          2HE       MET  24  -3.808  -2.435   1.904
  133   3HE   MET  24          3HE       MET  24  -3.786  -3.394   3.395
  134    HA   PRO  25           HA       PRO  25   4.496  -4.318   3.112
  135   1HB   PRO  25          1HB       PRO  25   5.695  -6.580   1.570
  136   2HB   PRO  25          2HB       PRO  25   6.090  -6.001   3.201
  137   1HG   PRO  25          1HG       PRO  25   4.684  -8.235   2.851
  138   2HG   PRO  25          2HG       PRO  25   4.300  -7.114   4.167
  139   1HD   PRO  25          1HD       PRO  25   2.865  -7.583   1.598
  140   2HD   PRO  25          2HD       PRO  25   2.223  -7.143   3.197
  141    H    GLU  26           H        GLU  26   4.402  -5.883   0.008
  142    HA   GLU  26           HA       GLU  26   6.106  -4.354  -1.608
  143   1HB   GLU  26          1HB       GLU  26   3.484  -5.691  -2.218
  144   2HB   GLU  26          2HB       GLU  26   4.629  -5.185  -3.450
  145   1HG   GLU  26          1HG       GLU  26   5.101  -7.253  -1.319
  146   2HG   GLU  26          2HG       GLU  26   4.700  -7.565  -3.019
  147    H    HIS  27           H        HIS  27   2.641  -3.999  -1.350
  148    HA   HIS  27           HA       HIS  27   2.461  -1.686  -2.964
  149   1HB   HIS  27          1HB       HIS  27   0.686  -3.340  -2.674
  150   2HB   HIS  27          2HB       HIS  27   0.566  -2.935  -0.973
  151    HD1  HIS  27           HD1      HIS  27  -0.960  -2.095  -4.180
  152    HD2  HIS  27           HD2      HIS  27  -0.369  -0.285  -0.522
  153    HE1  HIS  27           HE1      HIS  27  -2.695  -0.238  -4.041
  154    H    MET  28           H        MET  28   2.471  -2.087   0.526
  155    HA   MET  28           HA       MET  28   2.104   0.690   0.984
  156   1HB   MET  28          1HB       MET  28   3.183  -1.368   2.913
  157   2HB   MET  28          2HB       MET  28   2.695   0.276   3.336
  158   1HG   MET  28          1HG       MET  28   0.927  -1.929   2.299
  159   2HG   MET  28          2HG       MET  28   0.922  -1.225   3.914
  160   1HE   MET  28          1HE       MET  28  -0.519   2.334   3.323
  161   2HE   MET  28          2HE       MET  28   1.184   1.894   3.337
  162   3HE   MET  28          3HE       MET  28   0.076   1.153   4.493
  163    H    ASP  29           H        ASP  29   4.907  -1.246   0.336
  164    HA   ASP  29           HA       ASP  29   6.825   0.711   1.219
  165   1HB   ASP  29          1HB       ASP  29   7.473  -1.637   0.953
  166   2HB   ASP  29          2HB       ASP  29   7.015  -1.584  -0.753
  167    H    TYR  30           H        TYR  30   5.117   0.058  -1.755
  168    HA   TYR  30           HA       TYR  30   6.489   1.958  -3.312
  169   1HB   TYR  30          1HB       TYR  30   5.018   0.237  -4.336
  170   2HB   TYR  30          2HB       TYR  30   3.612   1.048  -3.629
  171    HD1  TYR  30           HD1      TYR  30   6.424   1.532  -6.018
  172    HD2  TYR  30           HD2      TYR  30   2.565   2.808  -4.790
  173    HE1  TYR  30           HE1      TYR  30   6.282   2.972  -8.007
  174    HE2  TYR  30           HE2      TYR  30   2.404   4.262  -6.784
  175    HH   TYR  30           HH       TYR  30   4.609   4.023  -9.386
  176    H    HIS  31           H        HIS  31   3.589   2.259  -1.288
  177    HA   HIS  31           HA       HIS  31   3.170   5.080  -1.833
  178   1HB   HIS  31          1HB       HIS  31   2.371   3.469   0.598
  179   2HB   HIS  31          2HB       HIS  31   2.165   5.213   0.515
  180    HD1  HIS  31           HD1      HIS  31   0.419   5.946  -1.565
  181    HD2  HIS  31           HD2      HIS  31   0.309   2.111  -0.059
  182    HE1  HIS  31           HE1      HIS  31  -1.855   5.043  -2.183
  183    H    PHE  32           H        PHE  32   5.151   3.318   0.515
  184    HA   PHE  32           HA       PHE  32   5.703   5.456   2.189
  185   1HB   PHE  32          1HB       PHE  32   6.208   2.917   2.416
  186   2HB   PHE  32          2HB       PHE  32   7.708   3.314   1.565
  187    HD1  PHE  32           HD1      PHE  32   9.043   5.353   2.618
  188    HD2  PHE  32           HD2      PHE  32   6.180   2.974   4.663
  189    HE1  PHE  32           HE1      PHE  32  10.018   6.046   4.768
  190    HE2  PHE  32           HE2      PHE  32   7.147   3.665   6.825
  191    HZ   PHE  32           HZ       PHE  32   9.060   5.206   6.874
  192    H    ALA  33           H        ALA  33   7.620   4.097  -0.453
  193    HA   ALA  33           HA       ALA  33   9.625   6.095  -0.460
  194   1HB   ALA  33          1HB       ALA  33   9.931   3.883  -1.478
  195   2HB   ALA  33          2HB       ALA  33  10.282   5.178  -2.626
  196   3HB   ALA  33          3HB       ALA  33   8.754   4.301  -2.717
  197    H    LEU  34           H        LEU  34   6.632   5.782  -2.209
  198    HA   LEU  34           HA       LEU  34   6.977   7.965  -4.002
  199   1HB   LEU  34          1HB       LEU  34   5.309   6.222  -4.357
  200   2HB   LEU  34          2HB       LEU  34   4.452   6.744  -2.913
  201    HG   LEU  34           HG       LEU  34   3.888   8.865  -4.012
  202   1HD1  LEU  34          1HD1      LEU  34   5.817   9.040  -5.493
  203   2HD1  LEU  34          2HD1      LEU  34   4.299   9.168  -6.382
  204   3HD1  LEU  34          3HD1      LEU  34   5.220   7.662  -6.424
  205   1HD2  LEU  34          1HD2      LEU  34   2.299   7.955  -5.612
  206   2HD2  LEU  34          2HD2      LEU  34   2.376   6.968  -4.150
  207   3HD2  LEU  34          3HD2      LEU  34   3.177   6.426  -5.624
  208    H    GLU  35           H        GLU  35   5.563   7.719  -0.816
  209    HA   GLU  35           HA       GLU  35   4.906  10.526  -0.816
  210   1HB   GLU  35          1HB       GLU  35   4.504   8.376   1.263
  211   2HB   GLU  35          2HB       GLU  35   3.936  10.037   1.421
  212   1HG   GLU  35          1HG       GLU  35   2.536   9.776  -0.545
  213   2HG   GLU  35          2HG       GLU  35   3.136   8.128  -0.765
  214    H    LEU  36           H        LEU  36   7.561   8.662  -0.111
  215    HA   LEU  36           HA       LEU  36   8.700  10.456   1.842
  216   1HB   LEU  36          1HB       LEU  36   9.185   8.018   1.820
  217   2HB   LEU  36          2HB       LEU  36   9.914   8.202   0.228
  218    HG   LEU  36           HG       LEU  36  11.690   9.565   1.233
  219   1HD1  LEU  36          1HD1      LEU  36  11.933   9.624   3.676
  220   2HD1  LEU  36          2HD1      LEU  36  10.363   8.836   3.846
  221   3HD1  LEU  36          3HD1      LEU  36  10.468  10.453   3.151
  222   1HD2  LEU  36          1HD2      LEU  36  11.280   6.867   2.504
  223   2HD2  LEU  36          2HD2      LEU  36  12.815   7.729   2.400
  224   3HD2  LEU  36          3HD2      LEU  36  12.006   7.185   0.930
  225    H    GLN  37           H        GLN  37   8.207  10.502  -1.471
  226    HA   GLN  37           HA       GLN  37  10.596  11.726  -2.391
  227   1HB   GLN  37          1HB       GLN  37   7.804  11.972  -3.510
  228   2HB   GLN  37          2HB       GLN  37   9.279  12.474  -4.338
  229   1HG   GLN  37          1HG       GLN  37   8.579   9.659  -3.529
  230   2HG   GLN  37          2HG       GLN  37   8.400  10.336  -5.153
  231   1HE2  GLN  37          1HE2      GLN  37  10.919  11.820  -5.028
  232   2HE2  GLN  37          2HE2      GLN  37  12.161  10.626  -5.150
  233    H    LYS  38           H        LYS  38   7.706  12.954  -1.009
  234    HA   LYS  38           HA       LYS  38   8.973  15.417  -0.339
  235   1HB   LYS  38          1HB       LYS  38   7.276  16.883  -1.459
  236   2HB   LYS  38          2HB       LYS  38   8.300  16.025  -2.610
  237   1HG   LYS  38          1HG       LYS  38   6.472  14.421  -2.998
  238   2HG   LYS  38          2HG       LYS  38   5.463  15.324  -1.858
  239   1HD   LYS  38          1HD       LYS  38   5.677  17.309  -3.336
  240   2HD   LYS  38          2HD       LYS  38   6.572  16.310  -4.488
  241   1HE   LYS  38          1HE       LYS  38   4.625  14.783  -4.620
  242   2HE   LYS  38          2HE       LYS  38   3.753  15.865  -3.539
  243   1HZ   LYS  38          1HZ       LYS  38   3.967  17.620  -5.224
  244   2HZ   LYS  38          2HZ       LYS  38   3.140  16.288  -5.808
  245   3HZ   LYS  38          3HZ       LYS  38   4.733  16.531  -6.262
  246    H    SER  39           H        SER  39   5.948  13.693  -0.719
  247    HA   SER  39           HA       SER  39   5.170  13.175   1.773
  248   1HB   SER  39          1HB       SER  39   4.012  15.838   0.799
  249   2HB   SER  39          2HB       SER  39   3.250  14.853   2.042
  250    HG   SER  39           HG       SER  39   5.900  15.735   2.216
  Start of MODEL    7
    1    H    ALA   6           H        ALA   6  -8.101 -14.973   4.996
    2    HA   ALA   6           HA       ALA   6  -9.445 -15.023   7.639
    3   1HB   ALA   6          1HB       ALA   6  -7.170 -15.918   7.769
    4   2HB   ALA   6          2HB       ALA   6  -7.230 -14.317   8.530
    5   3HB   ALA   6          3HB       ALA   6  -6.583 -14.499   6.896
    6    H    GLU   7           H        GLU   7 -10.179 -13.554   5.321
    7    HA   GLU   7           HA       GLU   7 -10.489 -11.585   4.354
    8   1HB   GLU   7          1HB       GLU   7  -9.863 -10.508   7.123
    9   2HB   GLU   7          2HB       GLU   7 -10.422  -9.493   5.786
   10   1HG   GLU   7          1HG       GLU   7 -11.944 -11.811   6.962
   11   2HG   GLU   7          2HG       GLU   7 -12.213 -10.121   7.367
   12    H    ASP   8           H        ASP   8  -8.687 -12.350   3.238
   13    HA   ASP   8           HA       ASP   8  -6.168 -11.161   3.906
   14   1HB   ASP   8          1HB       ASP   8  -6.854 -13.211   1.805
   15   2HB   ASP   8          2HB       ASP   8  -5.219 -12.625   2.120
   16    H    GLN   9           H        GLN   9  -8.601 -10.015   2.496
   17    HA   GLN   9           HA       GLN   9  -7.050  -8.623   0.491
   18   1HB   GLN   9          1HB       GLN   9 -10.022  -9.062   0.549
   19   2HB   GLN   9          2HB       GLN   9  -9.221  -7.984  -0.597
   20   1HG   GLN   9          1HG       GLN   9  -7.966  -9.886  -1.468
   21   2HG   GLN   9          2HG       GLN   9  -8.835 -10.960  -0.356
   22   1HE2  GLN   9          1HE2      GLN   9  -8.745 -10.963  -3.269
   23   2HE2  GLN   9          2HE2      GLN   9 -10.396 -10.804  -3.780
   24    H    VAL  10           H        VAL  10  -6.531  -6.743   1.577
   25    HA   VAL  10           HA       VAL  10  -8.564  -5.636   3.343
   26    HB   VAL  10           HB       VAL  10  -6.664  -4.724   4.766
   27   1HG1  VAL  10          1HG1      VAL  10  -7.947  -6.686   5.465
   28   2HG1  VAL  10          2HG1      VAL  10  -6.255  -6.850   5.931
   29   3HG1  VAL  10          3HG1      VAL  10  -6.874  -7.728   4.532
   30   1HG2  VAL  10          1HG2      VAL  10  -4.866  -4.952   3.122
   31   2HG2  VAL  10          2HG2      VAL  10  -5.028  -6.707   3.174
   32   3HG2  VAL  10          3HG2      VAL  10  -4.482  -5.826   4.603
   33    HA   PRO  11           HA       PRO  11  -8.240  -2.063   0.805
   34   1HB   PRO  11          1HB       PRO  11  -9.225  -0.272   2.536
   35   2HB   PRO  11          2HB       PRO  11 -10.269  -1.310   1.554
   36   1HG   PRO  11          1HG       PRO  11  -9.485  -1.558   4.437
   37   2HG   PRO  11          2HG       PRO  11 -11.028  -1.972   3.656
   38   1HD   PRO  11          1HD       PRO  11  -9.184  -3.837   4.360
   39   2HD   PRO  11          2HD       PRO  11 -10.257  -4.030   2.957
   40    H    CYS  12           H        CYS  12  -6.565  -0.874   0.528
   41    HA   CYS  12           HA       CYS  12  -4.559  -0.526   2.508
   42   1HB   CYS  12          1HB       CYS  12  -3.911  -0.795   0.246
   43   2HB   CYS  12          2HB       CYS  12  -4.959   0.531  -0.268
   44    H    GLU  13           H        GLU  13  -4.769   0.911   4.093
   45    HA   GLU  13           HA       GLU  13  -6.627   2.942   4.394
   46   1HB   GLU  13          1HB       GLU  13  -5.080   1.899   6.112
   47   2HB   GLU  13          2HB       GLU  13  -3.826   2.970   5.508
   48   1HG   GLU  13          1HG       GLU  13  -4.772   3.918   7.480
   49   2HG   GLU  13          2HG       GLU  13  -5.264   4.894   6.096
   50    H    LYS  14           H        LYS  14  -3.558   3.073   2.778
   51    HA   LYS  14           HA       LYS  14  -3.586   5.884   2.731
   52   1HB   LYS  14          1HB       LYS  14  -1.688   3.883   1.609
   53   2HB   LYS  14          2HB       LYS  14  -1.455   5.578   1.204
   54   1HG   LYS  14          1HG       LYS  14  -1.322   6.093   3.593
   55   2HG   LYS  14          2HG       LYS  14  -1.507   4.376   3.964
   56   1HD   LYS  14          1HD       LYS  14   0.535   3.887   2.742
   57   2HD   LYS  14          2HD       LYS  14   0.690   5.595   2.310
   58   1HE   LYS  14          1HE       LYS  14   0.696   4.565   5.155
   59   2HE   LYS  14          2HE       LYS  14   2.155   4.899   4.227
   60   1HZ   LYS  14          1HZ       LYS  14   1.512   7.212   4.064
   61   2HZ   LYS  14          2HZ       LYS  14   1.533   6.753   5.683
   62   3HZ   LYS  14          3HZ       LYS  14   0.067   6.924   4.895
   63    H    CYS  15           H        CYS  15  -5.041   3.737   0.865
   64    HA   CYS  15           HA       CYS  15  -5.594   5.791  -1.168
   65   1HB   CYS  15          1HB       CYS  15  -5.212   4.500  -3.211
   66   2HB   CYS  15          2HB       CYS  15  -3.750   4.708  -2.238
   67    H    GLY  16           H        GLY  16  -6.879   3.015   0.301
   68   1HA   GLY  16          1HA       GLY  16  -9.121   2.569   0.547
   69   2HA   GLY  16          2HA       GLY  16  -9.485   3.620  -0.824
   70    H    SER  17           H        SER  17  -7.056   1.730  -1.871
   71    HA   SER  17           HA       SER  17  -8.821   0.111  -3.484
   72   1HB   SER  17          1HB       SER  17  -5.826   0.164  -3.246
   73   2HB   SER  17          2HB       SER  17  -6.717  -0.571  -4.580
   74    HG   SER  17           HG       SER  17  -7.610   1.847  -4.505
   75    H    LEU  18           H        LEU  18  -9.087  -2.139  -3.289
   76    HA   LEU  18           HA       LEU  18  -8.320  -3.365  -0.789
   77   1HB   LEU  18          1HB       LEU  18  -9.682  -4.496  -3.226
   78   2HB   LEU  18          2HB       LEU  18  -9.456  -5.347  -1.700
   79    HG   LEU  18           HG       LEU  18 -11.074  -2.831  -2.027
   80   1HD1  LEU  18          1HD1      LEU  18 -13.021  -4.328  -1.748
   81   2HD1  LEU  18          2HD1      LEU  18 -11.940  -5.719  -1.773
   82   3HD1  LEU  18          3HD1      LEU  18 -12.112  -4.710  -3.210
   83   1HD2  LEU  18          1HD2      LEU  18 -10.175  -3.120   0.210
   84   2HD2  LEU  18          2HD2      LEU  18 -10.817  -4.763   0.273
   85   3HD2  LEU  18          3HD2      LEU  18 -11.917  -3.387   0.198
   86    H    VAL  19           H        VAL  19  -6.466  -4.116  -0.439
   87    HA   VAL  19           HA       VAL  19  -4.925  -5.173  -2.711
   88    HB   VAL  19           HB       VAL  19  -3.855  -3.956  -0.155
   89   1HG1  VAL  19          1HG1      VAL  19  -1.675  -3.965  -1.257
   90   2HG1  VAL  19          2HG1      VAL  19  -2.384  -4.795  -2.640
   91   3HG1  VAL  19          3HG1      VAL  19  -2.321  -5.596  -1.067
   92   1HG2  VAL  19          1HG2      VAL  19  -3.151  -2.064  -1.550
   93   2HG2  VAL  19          2HG2      VAL  19  -4.905  -2.258  -1.519
   94   3HG2  VAL  19          3HG2      VAL  19  -3.984  -2.789  -2.924
   95    HA   PRO  20           HA       PRO  20  -5.056  -9.141  -0.598
   96   1HB   PRO  20          1HB       PRO  20  -2.500  -9.527  -2.070
   97   2HB   PRO  20          2HB       PRO  20  -3.947 -10.552  -2.044
   98   1HG   PRO  20          1HG       PRO  20  -3.345  -9.047  -4.166
   99   2HG   PRO  20          2HG       PRO  20  -5.027  -9.295  -3.642
  100   1HD   PRO  20          1HD       PRO  20  -3.269  -6.896  -3.288
  101   2HD   PRO  20          2HD       PRO  20  -5.017  -7.009  -3.594
  102    H    VAL  21           H        VAL  21  -4.243  -9.625   1.229
  103    HA   VAL  21           HA       VAL  21  -2.555  -8.140   2.799
  104    HB   VAL  21           HB       VAL  21  -4.071  -9.961   3.610
  105   1HG1  VAL  21          1HG1      VAL  21  -3.358 -11.765   2.182
  106   2HG1  VAL  21          2HG1      VAL  21  -3.248 -12.223   3.881
  107   3HG1  VAL  21          3HG1      VAL  21  -1.790 -11.802   2.981
  108   1HG2  VAL  21          1HG2      VAL  21  -2.721 -10.588   5.563
  109   2HG2  VAL  21          2HG2      VAL  21  -2.651  -8.871   5.176
  110   3HG2  VAL  21          3HG2      VAL  21  -1.293  -9.927   4.758
  111    H    TRP  22           H        TRP  22  -1.548 -10.702   0.614
  112    HA   TRP  22           HA       TRP  22   1.114 -10.658   1.577
  113   1HB   TRP  22          1HB       TRP  22   1.573 -12.178  -0.428
  114   2HB   TRP  22          2HB       TRP  22   0.468 -12.720   0.843
  115    HD1  TRP  22           HD1      TRP  22   0.404 -11.448  -2.800
  116    HE1  TRP  22           HE1      TRP  22  -1.755 -12.313  -3.894
  117    HE3  TRP  22           HE3      TRP  22  -1.778 -13.549   1.292
  118    HZ2  TRP  22           HZ2      TRP  22  -4.094 -13.726  -3.100
  119    HZ3  TRP  22           HZ3      TRP  22  -3.973 -14.639   1.036
  120    HH2  TRP  22           HH2      TRP  22  -5.088 -14.715  -1.113
  121    H    ASP  23           H        ASP  23  -0.557  -8.552  -0.488
  122    HA   ASP  23           HA       ASP  23   1.800  -7.838  -2.048
  123   1HB   ASP  23          1HB       ASP  23  -1.146  -7.296  -2.246
  124   2HB   ASP  23          2HB       ASP  23  -0.000  -6.150  -2.950
  125    H    MET  24           H        MET  24   0.122  -7.167   0.778
  126    HA   MET  24           HA       MET  24   0.166  -4.437   0.928
  127   1HB   MET  24          1HB       MET  24   0.086  -6.510   2.996
  128   2HB   MET  24          2HB       MET  24   0.556  -4.884   3.522
  129   1HG   MET  24          1HG       MET  24  -1.942  -5.657   2.051
  130   2HG   MET  24          2HG       MET  24  -1.812  -5.116   3.739
  131   1HE   MET  24          1HE       MET  24  -3.771  -3.859   1.790
  132   2HE   MET  24          2HE       MET  24  -3.549  -2.121   1.954
  133   3HE   MET  24          3HE       MET  24  -3.584  -3.150   3.402
  134    HA   PRO  25           HA       PRO  25   4.640  -4.332   2.898
  135   1HB   PRO  25          1HB       PRO  25   5.691  -6.680   1.365
  136   2HB   PRO  25          2HB       PRO  25   6.179  -6.078   2.965
  137   1HG   PRO  25          1HG       PRO  25   4.681  -8.249   2.757
  138   2HG   PRO  25          2HG       PRO  25   4.343  -7.047   4.014
  139   1HD   PRO  25          1HD       PRO  25   2.889  -7.553   1.445
  140   2HD   PRO  25          2HD       PRO  25   2.262  -7.089   3.044
  141    H    GLU  26           H        GLU  26   4.422  -5.909  -0.231
  142    HA   GLU  26           HA       GLU  26   6.144  -4.408  -1.858
  143   1HB   GLU  26          1HB       GLU  26   3.479  -5.657  -2.510
  144   2HB   GLU  26          2HB       GLU  26   4.649  -5.207  -3.737
  145   1HG   GLU  26          1HG       GLU  26   4.952  -7.309  -1.602
  146   2HG   GLU  26          2HG       GLU  26   4.664  -7.576  -3.330
  147    H    HIS  27           H        HIS  27   2.711  -3.942  -1.471
  148    HA   HIS  27           HA       HIS  27   2.509  -1.601  -3.061
  149   1HB   HIS  27          1HB       HIS  27   0.786  -3.280  -2.722
  150   2HB   HIS  27          2HB       HIS  27   0.665  -2.842  -1.024
  151    HD1  HIS  27           HD1      HIS  27  -0.852  -2.054  -4.263
  152    HD2  HIS  27           HD2      HIS  27  -0.265  -0.183  -0.639
  153    HE1  HIS  27           HE1      HIS  27  -2.526  -0.161  -4.190
  154    H    MET  28           H        MET  28   2.633  -2.072   0.438
  155    HA   MET  28           HA       MET  28   2.363   0.683   0.903
  156   1HB   MET  28          1HB       MET  28   3.348  -1.502   2.695
  157   2HB   MET  28          2HB       MET  28   3.422   0.195   3.191
  158   1HG   MET  28          1HG       MET  28   0.975  -1.412   2.502
  159   2HG   MET  28          2HG       MET  28   1.440  -0.788   4.085
  160   1HE   MET  28          1HE       MET  28  -1.425  -0.271   3.224
  161   2HE   MET  28          2HE       MET  28  -1.611   1.468   3.478
  162   3HE   MET  28          3HE       MET  28  -0.705   0.502   4.644
  163    H    ASP  29           H        ASP  29   5.149  -1.315   0.230
  164    HA   ASP  29           HA       ASP  29   7.101   0.682   0.890
  165   1HB   ASP  29          1HB       ASP  29   7.827  -1.611   0.586
  166   2HB   ASP  29          2HB       ASP  29   7.154  -1.644  -1.051
  167    H    TYR  30           H        TYR  30   5.137   0.061  -1.912
  168    HA   TYR  30           HA       TYR  30   6.372   1.971  -3.577
  169   1HB   TYR  30          1HB       TYR  30   4.721   0.308  -4.433
  170   2HB   TYR  30          2HB       TYR  30   3.441   1.171  -3.560
  171    HD1  TYR  30           HD1      TYR  30   2.804   3.448  -4.288
  172    HD2  TYR  30           HD2      TYR  30   5.535   1.098  -6.503
  173    HE1  TYR  30           HE1      TYR  30   2.530   4.977  -6.205
  174    HE2  TYR  30           HE2      TYR  30   5.281   2.614  -8.441
  175    HH   TYR  30           HH       TYR  30   3.519   4.220  -9.273
  176    H    HIS  31           H        HIS  31   3.663   2.286  -1.277
  177    HA   HIS  31           HA       HIS  31   3.306   5.096  -1.791
  178   1HB   HIS  31          1HB       HIS  31   2.467   3.478   0.606
  179   2HB   HIS  31          2HB       HIS  31   2.266   5.227   0.556
  180    HD1  HIS  31           HD1      HIS  31   0.550   6.040  -1.502
  181    HD2  HIS  31           HD2      HIS  31   0.456   2.111  -0.230
  182    HE1  HIS  31           HE1      HIS  31  -1.695   5.157  -2.216
  183    H    PHE  32           H        PHE  32   5.266   3.297   0.585
  184    HA   PHE  32           HA       PHE  32   6.008   5.431   2.120
  185   1HB   PHE  32          1HB       PHE  32   7.064   2.730   1.502
  186   2HB   PHE  32          2HB       PHE  32   8.092   3.833   2.410
  187    HD1  PHE  32           HD1      PHE  32   4.351   3.315   2.621
  188    HD2  PHE  32           HD2      PHE  32   8.133   2.921   4.551
  189    HE1  PHE  32           HE1      PHE  32   3.231   2.603   4.668
  190    HE2  PHE  32           HE2      PHE  32   6.996   2.202   6.603
  191    HZ   PHE  32           HZ       PHE  32   4.549   2.040   6.665
  192    H    ALA  33           H        ALA  33   7.589   4.010  -0.725
  193    HA   ALA  33           HA       ALA  33   9.737   5.884  -0.838
  194   1HB   ALA  33          1HB       ALA  33   9.801   3.721  -2.014
  195   2HB   ALA  33          2HB       ALA  33  10.082   5.066  -3.122
  196   3HB   ALA  33          3HB       ALA  33   8.509   4.268  -3.082
  197    H    LEU  34           H        LEU  34   6.542   5.844  -2.168
  198    HA   LEU  34           HA       LEU  34   6.726   8.124  -3.860
  199   1HB   LEU  34          1HB       LEU  34   4.931   6.458  -4.005
  200   2HB   LEU  34          2HB       LEU  34   4.333   6.980  -2.434
  201    HG   LEU  34           HG       LEU  34   3.789   9.185  -3.409
  202   1HD1  LEU  34          1HD1      LEU  34   5.395   9.261  -5.205
  203   2HD1  LEU  34          2HD1      LEU  34   3.759   9.420  -5.849
  204   3HD1  LEU  34          3HD1      LEU  34   4.619   7.886  -5.990
  205   1HD2  LEU  34          1HD2      LEU  34   1.865   8.423  -4.706
  206   2HD2  LEU  34          2HD2      LEU  34   2.092   7.454  -3.248
  207   3HD2  LEU  34          3HD2      LEU  34   2.578   6.813  -4.819
  208    H    GLU  35           H        GLU  35   5.829   7.723  -0.482
  209    HA   GLU  35           HA       GLU  35   5.122  10.474  -0.069
  210   1HB   GLU  35          1HB       GLU  35   5.611   8.216   1.886
  211   2HB   GLU  35          2HB       GLU  35   4.990   9.792   2.335
  212   1HG   GLU  35          1HG       GLU  35   2.992   9.406   1.008
  213   2HG   GLU  35          2HG       GLU  35   3.637   7.839   0.482
  214    H    LEU  36           H        LEU  36   7.970   8.522   0.040
  215    HA   LEU  36           HA       LEU  36   9.480  10.241   1.812
  216   1HB   LEU  36          1HB       LEU  36   9.781   7.768   1.768
  217   2HB   LEU  36          2HB       LEU  36  10.285   7.883   0.086
  218    HG   LEU  36           HG       LEU  36  12.287   9.076   0.783
  219   1HD1  LEU  36          1HD1      LEU  36  12.901   9.174   3.173
  220   2HD1  LEU  36          2HD1      LEU  36  11.302   8.561   3.596
  221   3HD1  LEU  36          3HD1      LEU  36  11.465  10.138   2.827
  222   1HD2  LEU  36          1HD2      LEU  36  12.357   6.670   0.538
  223   2HD2  LEU  36          2HD2      LEU  36  11.841   6.462   2.210
  224   3HD2  LEU  36          3HD2      LEU  36  13.413   7.177   1.857
  225    H    GLN  37           H        GLN  37   8.440  10.580  -1.206
  226    HA   GLN  37           HA       GLN  37  10.793  11.872  -2.317
  227   1HB   GLN  37          1HB       GLN  37   7.937  11.737  -3.256
  228   2HB   GLN  37          2HB       GLN  37   9.251  12.493  -4.161
  229   1HG   GLN  37          1HG       GLN  37  10.359  10.332  -4.325
  230   2HG   GLN  37          2HG       GLN  37   9.040   9.589  -3.406
  231   1HE2  GLN  37          1HE2      GLN  37   7.034  11.229  -4.729
  232   2HE2  GLN  37          2HE2      GLN  37   6.855  10.567  -6.323
  233    H    LYS  38           H        LYS  38   8.182  12.652  -0.285
  234    HA   LYS  38           HA       LYS  38   8.761  15.495  -0.588
  235   1HB   LYS  38          1HB       LYS  38   6.333  16.018  -0.451
  236   2HB   LYS  38          2HB       LYS  38   6.798  15.156  -1.921
  237   1HG   LYS  38          1HG       LYS  38   5.887  13.093  -1.016
  238   2HG   LYS  38          2HG       LYS  38   5.487  13.924   0.498
  239   1HD   LYS  38          1HD       LYS  38   3.504  13.728  -0.871
  240   2HD   LYS  38          2HD       LYS  38   3.979  15.422  -0.771
  241   1HE   LYS  38          1HE       LYS  38   5.061  15.188  -3.009
  242   2HE   LYS  38          2HE       LYS  38   4.470  13.531  -3.071
  243   1HZ   LYS  38          1HZ       LYS  38   3.040  15.074  -4.282
  244   2HZ   LYS  38          2HZ       LYS  38   2.759  15.941  -2.879
  245   3HZ   LYS  38          3HZ       LYS  38   2.213  14.346  -3.013
  246    H    SER  39           H        SER  39   9.613  13.616   1.326
  247    HA   SER  39           HA       SER  39   8.137  13.736   3.707
  248   1HB   SER  39          1HB       SER  39  11.053  13.197   3.182
  249   2HB   SER  39          2HB       SER  39  10.215  12.893   4.707
  250    HG   SER  39           HG       SER  39   9.268  11.230   3.890
  Start of MODEL    8
    1    H    ALA   6           H        ALA   6  -9.844 -15.918   1.073
    2    HA   ALA   6           HA       ALA   6 -11.872 -16.773   3.007
    3   1HB   ALA   6          1HB       ALA   6  -8.911 -16.524   3.527
    4   2HB   ALA   6          2HB       ALA   6  -9.818 -18.035   3.418
    5   3HB   ALA   6          3HB       ALA   6 -10.147 -16.900   4.729
    6    H    GLU   7           H        GLU   7 -11.262 -14.430   1.257
    7    HA   GLU   7           HA       GLU   7 -11.481 -12.181   1.240
    8   1HB   GLU   7          1HB       GLU   7 -12.252 -12.525   4.153
    9   2HB   GLU   7          2HB       GLU   7 -12.440 -11.029   3.231
   10   1HG   GLU   7          1HG       GLU   7 -14.040 -12.132   1.766
   11   2HG   GLU   7          2HG       GLU   7 -13.808 -13.647   2.633
   12    H    ASP   8           H        ASP   8  -8.972 -13.060   1.362
   13    HA   ASP   8           HA       ASP   8  -7.515 -11.575   3.461
   14   1HB   ASP   8          1HB       ASP   8  -6.469 -13.399   1.269
   15   2HB   ASP   8          2HB       ASP   8  -5.504 -12.689   2.565
   16    H    GLN   9           H        GLN   9  -8.946  -9.985   1.711
   17    HA   GLN   9           HA       GLN   9  -6.760  -8.687   0.418
   18   1HB   GLN   9          1HB       GLN   9  -9.604  -8.938  -0.562
   19   2HB   GLN   9          2HB       GLN   9  -8.482  -7.740  -1.218
   20   1HG   GLN   9          1HG       GLN   9  -7.084  -9.426  -2.096
   21   2HG   GLN   9          2HG       GLN   9  -7.978 -10.705  -1.258
   22   1HE2  GLN   9          1HE2      GLN   9  -8.020  -8.433  -3.940
   23   2HE2  GLN   9          2HE2      GLN   9  -9.337  -9.200  -4.755
   24    H    VAL  10           H        VAL  10  -6.473  -6.989   1.676
   25    HA   VAL  10           HA       VAL  10  -8.749  -5.977   3.195
   26    HB   VAL  10           HB       VAL  10  -7.029  -5.169   4.875
   27   1HG1  VAL  10          1HG1      VAL  10  -7.165  -8.141   4.361
   28   2HG1  VAL  10          2HG1      VAL  10  -8.328  -7.189   5.284
   29   3HG1  VAL  10          3HG1      VAL  10  -6.682  -7.394   5.883
   30   1HG2  VAL  10          1HG2      VAL  10  -5.065  -5.228   3.414
   31   2HG2  VAL  10          2HG2      VAL  10  -5.192  -6.982   3.306
   32   3HG2  VAL  10          3HG2      VAL  10  -4.819  -6.221   4.852
   33    HA   PRO  11           HA       PRO  11  -8.253  -2.159   1.132
   34   1HB   PRO  11          1HB       PRO  11  -9.113  -0.457   2.984
   35   2HB   PRO  11          2HB       PRO  11 -10.224  -1.441   2.015
   36   1HG   PRO  11          1HG       PRO  11  -9.297  -1.852   4.841
   37   2HG   PRO  11          2HG       PRO  11 -10.895  -2.175   4.129
   38   1HD   PRO  11          1HD       PRO  11  -9.070  -4.122   4.622
   39   2HD   PRO  11          2HD       PRO  11 -10.243  -4.205   3.292
   40    H    CYS  12           H        CYS  12  -6.542  -0.975   0.851
   41    HA   CYS  12           HA       CYS  12  -4.410  -0.784   2.735
   42   1HB   CYS  12          1HB       CYS  12  -3.864  -0.919   0.431
   43   2HB   CYS  12          2HB       CYS  12  -4.949   0.416   0.037
   44    H    GLU  13           H        GLU  13  -4.458   0.630   4.399
   45    HA   GLU  13           HA       GLU  13  -6.278   2.675   4.860
   46   1HB   GLU  13          1HB       GLU  13  -3.433   2.751   5.850
   47   2HB   GLU  13          2HB       GLU  13  -4.823   3.523   6.577
   48   1HG   GLU  13          1HG       GLU  13  -4.548   1.733   7.967
   49   2HG   GLU  13          2HG       GLU  13  -5.678   1.056   6.797
   50    H    LYS  14           H        LYS  14  -3.350   2.888   3.043
   51    HA   LYS  14           HA       LYS  14  -3.408   5.705   3.146
   52   1HB   LYS  14          1HB       LYS  14  -1.553   3.840   1.745
   53   2HB   LYS  14          2HB       LYS  14  -1.409   5.581   1.521
   54   1HG   LYS  14          1HG       LYS  14  -1.124   5.824   3.958
   55   2HG   LYS  14          2HG       LYS  14  -1.198   4.069   4.119
   56   1HD   LYS  14          1HD       LYS  14   0.758   3.848   2.675
   57   2HD   LYS  14          2HD       LYS  14   0.812   5.610   2.493
   58   1HE   LYS  14          1HE       LYS  14   1.073   4.138   5.108
   59   2HE   LYS  14          2HE       LYS  14   2.441   4.708   4.159
   60   1HZ   LYS  14          1HZ       LYS  14   0.319   6.478   5.286
   61   2HZ   LYS  14          2HZ       LYS  14   1.695   6.972   4.471
   62   3HZ   LYS  14          3HZ       LYS  14   1.833   6.213   5.962
   63    H    CYS  15           H        CYS  15  -4.956   3.629   1.303
   64    HA   CYS  15           HA       CYS  15  -5.619   5.741  -0.619
   65   1HB   CYS  15          1HB       CYS  15  -5.386   4.488  -2.724
   66   2HB   CYS  15          2HB       CYS  15  -3.860   4.672  -1.854
   67    H    GLY  16           H        GLY  16  -6.827   2.849   0.819
   68   1HA   GLY  16          1HA       GLY  16  -9.081   2.469   1.206
   69   2HA   GLY  16          2HA       GLY  16  -9.487   3.595  -0.097
   70    H    SER  17           H        SER  17  -7.192   1.789  -1.379
   71    HA   SER  17           HA       SER  17  -9.036   0.251  -2.950
   72   1HB   SER  17          1HB       SER  17  -6.049   0.493  -2.912
   73   2HB   SER  17          2HB       SER  17  -6.925  -0.302  -4.218
   74    HG   SER  17           HG       SER  17  -8.065   1.807  -4.369
   75    H    LEU  18           H        LEU  18  -9.282  -1.931  -2.876
   76    HA   LEU  18           HA       LEU  18  -8.417  -3.358  -0.508
   77   1HB   LEU  18          1HB       LEU  18  -9.931  -4.256  -2.954
   78   2HB   LEU  18          2HB       LEU  18  -9.660  -5.239  -1.515
   79    HG   LEU  18           HG       LEU  18 -11.227  -2.662  -1.555
   80   1HD1  LEU  18          1HD1      LEU  18 -13.210  -4.103  -1.333
   81   2HD1  LEU  18          2HD1      LEU  18 -12.186  -5.526  -1.538
   82   3HD1  LEU  18          3HD1      LEU  18 -12.371  -4.373  -2.860
   83   1HD2  LEU  18          1HD2      LEU  18 -12.000  -3.397   0.651
   84   2HD2  LEU  18          2HD2      LEU  18 -10.252  -3.175   0.615
   85   3HD2  LEU  18          3HD2      LEU  18 -10.937  -4.799   0.554
   86    H    VAL  19           H        VAL  19  -6.553  -4.180  -0.336
   87    HA   VAL  19           HA       VAL  19  -5.210  -5.178  -2.769
   88    HB   VAL  19           HB       VAL  19  -3.874  -3.897  -0.361
   89   1HG1  VAL  19          1HG1      VAL  19  -1.818  -3.929  -1.682
   90   2HG1  VAL  19          2HG1      VAL  19  -2.659  -4.787  -2.968
   91   3HG1  VAL  19          3HG1      VAL  19  -2.432  -5.557  -1.398
   92   1HG2  VAL  19          1HG2      VAL  19  -3.347  -2.033  -1.859
   93   2HG2  VAL  19          2HG2      VAL  19  -5.085  -2.245  -1.653
   94   3HG2  VAL  19          3HG2      VAL  19  -4.296  -2.799  -3.130
   95    HA   PRO  20           HA       PRO  20  -5.096  -9.165  -0.724
   96   1HB   PRO  20          1HB       PRO  20  -2.530  -9.352  -2.237
   97   2HB   PRO  20          2HB       PRO  20  -3.871 -10.513  -2.152
   98   1HG   PRO  20          1HG       PRO  20  -3.531  -9.005  -4.301
   99   2HG   PRO  20          2HG       PRO  20  -5.162  -9.321  -3.664
  100   1HD   PRO  20          1HD       PRO  20  -3.493  -6.854  -3.468
  101   2HD   PRO  20          2HD       PRO  20  -5.254  -7.042  -3.646
  102    H    VAL  21           H        VAL  21  -4.395  -9.608   1.154
  103    HA   VAL  21           HA       VAL  21  -2.817  -8.045   2.750
  104    HB   VAL  21           HB       VAL  21  -4.424  -9.753   3.539
  105   1HG1  VAL  21          1HG1      VAL  21  -2.228 -11.746   3.093
  106   2HG1  VAL  21          2HG1      VAL  21  -3.753 -11.638   2.220
  107   3HG1  VAL  21          3HG1      VAL  21  -3.751 -12.051   3.939
  108   1HG2  VAL  21          1HG2      VAL  21  -2.964  -8.670   5.140
  109   2HG2  VAL  21          2HG2      VAL  21  -1.737  -9.923   4.882
  110   3HG2  VAL  21          3HG2      VAL  21  -3.297 -10.341   5.596
  111    H    TRP  22           H        TRP  22  -1.689 -10.755   0.816
  112    HA   TRP  22           HA       TRP  22   0.917 -10.794   1.943
  113   1HB   TRP  22          1HB       TRP  22   1.433 -12.439   0.136
  114   2HB   TRP  22          2HB       TRP  22  -0.009 -12.817   1.079
  115    HD1  TRP  22           HD1      TRP  22   1.094 -11.797  -2.432
  116    HE1  TRP  22           HE1      TRP  22  -0.863 -12.199  -4.038
  117    HE3  TRP  22           HE3      TRP  22  -2.485 -12.944   0.962
  118    HZ2  TRP  22           HZ2      TRP  22  -3.587 -12.926  -3.877
  119    HZ3  TRP  22           HZ3      TRP  22  -4.771 -13.491   0.148
  120    HH2  TRP  22           HH2      TRP  22  -5.281 -13.476  -2.222
  121    H    ASP  23           H        ASP  23  -0.515  -8.812  -0.489
  122    HA   ASP  23           HA       ASP  23   2.130  -8.046  -1.569
  123   1HB   ASP  23          1HB       ASP  23  -0.685  -7.450  -2.546
  124   2HB   ASP  23          2HB       ASP  23   0.772  -6.699  -3.213
  125    H    MET  24           H        MET  24   0.078  -7.287   0.832
  126    HA   MET  24           HA       MET  24  -0.113  -4.571   0.857
  127   1HB   MET  24          1HB       MET  24  -0.096  -6.526   3.036
  128   2HB   MET  24          2HB       MET  24   0.173  -4.835   3.487
  129   1HG   MET  24          1HG       MET  24  -2.136  -5.952   1.944
  130   2HG   MET  24          2HG       MET  24  -2.156  -5.316   3.604
  131   1HE   MET  24          1HE       MET  24  -4.125  -2.649   1.579
  132   2HE   MET  24          2HE       MET  24  -4.049  -3.531   3.100
  133   3HE   MET  24          3HE       MET  24  -4.136  -4.421   1.569
  134    HA   PRO  25           HA       PRO  25   4.123  -3.835   3.192
  135   1HB   PRO  25          1HB       PRO  25   5.596  -6.175   2.073
  136   2HB   PRO  25          2HB       PRO  25   5.790  -5.381   3.651
  137   1HG   PRO  25          1HG       PRO  25   4.553  -7.709   3.514
  138   2HG   PRO  25          2HG       PRO  25   3.906  -6.409   4.532
  139   1HD   PRO  25          1HD       PRO  25   2.949  -7.341   1.843
  140   2HD   PRO  25          2HD       PRO  25   2.023  -6.854   3.280
  141    H    GLU  26           H        GLU  26   4.284  -5.663   0.229
  142    HA   GLU  26           HA       GLU  26   6.114  -4.201  -1.331
  143   1HB   GLU  26          1HB       GLU  26   3.605  -5.675  -2.092
  144   2HB   GLU  26          2HB       GLU  26   4.888  -5.299  -3.231
  145   1HG   GLU  26          1HG       GLU  26   5.081  -7.084  -0.820
  146   2HG   GLU  26          2HG       GLU  26   4.952  -7.606  -2.507
  147    H    HIS  27           H        HIS  27   2.632  -3.939  -1.330
  148    HA   HIS  27           HA       HIS  27   2.450  -1.722  -3.047
  149   1HB   HIS  27          1HB       HIS  27   0.711  -3.304  -2.726
  150   2HB   HIS  27          2HB       HIS  27   0.578  -2.926  -1.015
  151    HD1  HIS  27           HD1      HIS  27  -0.994  -2.067  -4.203
  152    HD2  HIS  27           HD2      HIS  27  -0.337  -0.272  -0.561
  153    HE1  HIS  27           HE1      HIS  27  -2.669  -0.144  -4.045
  154    H    MET  28           H        MET  28   2.349  -1.938   0.480
  155    HA   MET  28           HA       MET  28   2.044   0.830   0.957
  156   1HB   MET  28          1HB       MET  28   3.016  -1.410   2.668
  157   2HB   MET  28          2HB       MET  28   3.219   0.266   3.197
  158   1HG   MET  28          1HG       MET  28   0.650  -1.156   2.565
  159   2HG   MET  28          2HG       MET  28   1.214  -0.607   4.146
  160   1HE   MET  28          1HE       MET  28  -1.594   1.951   3.786
  161   2HE   MET  28          2HE       MET  28  -0.703   0.875   4.866
  162   3HE   MET  28          3HE       MET  28  -1.608   0.209   3.495
  163    H    ASP  29           H        ASP  29   4.874  -1.107   0.352
  164    HA   ASP  29           HA       ASP  29   6.747   0.904   1.142
  165   1HB   ASP  29          1HB       ASP  29   7.384  -1.459   0.954
  166   2HB   ASP  29          2HB       ASP  29   7.025  -1.412  -0.778
  167    H    TYR  30           H        TYR  30   5.027   0.152  -1.788
  168    HA   TYR  30           HA       TYR  30   6.387   1.959  -3.450
  169   1HB   TYR  30          1HB       TYR  30   4.827   0.242  -4.339
  170   2HB   TYR  30          2HB       TYR  30   3.476   1.133  -3.616
  171    HD1  TYR  30           HD1      TYR  30   2.403   2.802  -4.860
  172    HD2  TYR  30           HD2      TYR  30   6.265   1.503  -6.024
  173    HE1  TYR  30           HE1      TYR  30   2.256   4.213  -6.883
  174    HE2  TYR  30           HE2      TYR  30   6.138   2.881  -8.041
  175    HH   TYR  30           HH       TYR  30   4.588   3.954  -9.425
  176    H    HIS  31           H        HIS  31   3.567   2.387  -1.346
  177    HA   HIS  31           HA       HIS  31   3.188   5.225  -1.923
  178   1HB   HIS  31          1HB       HIS  31   2.450   3.675   0.569
  179   2HB   HIS  31          2HB       HIS  31   2.185   5.405   0.418
  180    HD1  HIS  31           HD1      HIS  31   0.370   6.020  -1.598
  181    HD2  HIS  31           HD2      HIS  31   0.455   2.179  -0.078
  182    HE1  HIS  31           HE1      HIS  31  -1.869   5.022  -2.163
  183    H    PHE  32           H        PHE  32   5.184   3.529   0.485
  184    HA   PHE  32           HA       PHE  32   5.934   5.752   1.884
  185   1HB   PHE  32          1HB       PHE  32   6.890   2.999   1.522
  186   2HB   PHE  32          2HB       PHE  32   8.043   4.129   2.231
  187    HD1  PHE  32           HD1      PHE  32   4.679   2.563   2.659
  188    HD2  PHE  32           HD2      PHE  32   7.785   4.838   4.490
  189    HE1  PHE  32           HE1      PHE  32   3.621   2.250   4.835
  190    HE2  PHE  32           HE2      PHE  32   6.711   4.523   6.677
  191    HZ   PHE  32           HZ       PHE  32   4.628   3.228   6.851
  192    H    ALA  33           H        ALA  33   7.731   4.036  -0.693
  193    HA   ALA  33           HA       ALA  33   9.788   5.945  -0.820
  194   1HB   ALA  33          1HB       ALA  33  10.465   4.810  -2.887
  195   2HB   ALA  33          2HB       ALA  33   8.923   3.954  -2.913
  196   3HB   ALA  33          3HB       ALA  33  10.072   3.656  -1.612
  197    H    LEU  34           H        LEU  34   6.674   5.761  -2.361
  198    HA   LEU  34           HA       LEU  34   7.111   7.723  -4.366
  199   1HB   LEU  34          1HB       LEU  34   5.259   6.122  -4.433
  200   2HB   LEU  34          2HB       LEU  34   4.574   6.858  -2.989
  201    HG   LEU  34           HG       LEU  34   4.108   8.898  -4.253
  202   1HD1  LEU  34          1HD1      LEU  34   5.941   8.786  -5.856
  203   2HD1  LEU  34          2HD1      LEU  34   4.387   8.915  -6.685
  204   3HD1  LEU  34          3HD1      LEU  34   5.210   7.359  -6.592
  205   1HD2  LEU  34          1HD2      LEU  34   2.347   7.994  -5.680
  206   2HD2  LEU  34          2HD2      LEU  34   2.425   7.126  -4.143
  207   3HD2  LEU  34          3HD2      LEU  34   3.094   6.400  -5.602
  208    H    GLU  35           H        GLU  35   5.835   7.866  -1.056
  209    HA   GLU  35           HA       GLU  35   5.519  10.724  -1.293
  210   1HB   GLU  35          1HB       GLU  35   4.904   8.850   0.963
  211   2HB   GLU  35          2HB       GLU  35   4.592  10.578   0.998
  212   1HG   GLU  35          1HG       GLU  35   3.169  10.251  -1.039
  213   2HG   GLU  35          2HG       GLU  35   3.344   8.505  -0.766
  214    H    LEU  36           H        LEU  36   7.977   8.701  -0.594
  215    HA   LEU  36           HA       LEU  36   9.378  10.315   1.330
  216   1HB   LEU  36          1HB       LEU  36   9.765   7.872   0.958
  217   2HB   LEU  36          2HB       LEU  36  10.268   8.233  -0.687
  218    HG   LEU  36           HG       LEU  36  12.211   9.441   0.235
  219   1HD1  LEU  36          1HD1      LEU  36  12.808   9.131   2.580
  220   2HD1  LEU  36          2HD1      LEU  36  11.301   8.262   2.856
  221   3HD1  LEU  36          3HD1      LEU  36  11.262   9.973   2.440
  222   1HD2  LEU  36          1HD2      LEU  36  12.372   7.137  -0.516
  223   2HD2  LEU  36          2HD2      LEU  36  11.911   6.566   1.087
  224   3HD2  LEU  36          3HD2      LEU  36  13.435   7.420   0.860
  225    H    GLN  37           H        GLN  37   8.610  10.482  -1.933
  226    HA   GLN  37           HA       GLN  37  10.816  12.170  -2.761
  227   1HB   GLN  37          1HB       GLN  37   8.254  11.399  -4.135
  228   2HB   GLN  37          2HB       GLN  37   9.610  12.250  -4.885
  229   1HG   GLN  37          1HG       GLN  37  10.997  10.356  -4.683
  230   2HG   GLN  37          2HG       GLN  37   9.808   9.519  -3.665
  231   1HE2  GLN  37          1HE2      GLN  37   9.726   7.818  -5.017
  232   2HE2  GLN  37          2HE2      GLN  37   8.952   7.845  -6.577
  233    H    LYS  38           H        LYS  38   7.622  12.548  -1.434
  234    HA   LYS  38           HA       LYS  38   7.221  15.161  -2.614
  235   1HB   LYS  38          1HB       LYS  38   5.091  15.240  -1.519
  236   2HB   LYS  38          2HB       LYS  38   5.310  13.602  -2.138
  237   1HG   LYS  38          1HG       LYS  38   5.891  12.842   0.097
  238   2HG   LYS  38          2HG       LYS  38   5.682  14.492   0.712
  239   1HD   LYS  38          1HD       LYS  38   3.327  14.414  -0.059
  240   2HD   LYS  38          2HD       LYS  38   3.567  12.728  -0.522
  241   1HE   LYS  38          1HE       LYS  38   4.174  12.224   1.843
  242   2HE   LYS  38          2HE       LYS  38   3.835  13.897   2.231
  243   1HZ   LYS  38          1HZ       LYS  38   1.535  13.563   1.527
  244   2HZ   LYS  38          2HZ       LYS  38   1.955  12.505   2.758
  245   3HZ   LYS  38          3HZ       LYS  38   1.847  11.945   1.191
  246    H    SER  39           H        SER  39   8.764  13.974   0.117
  247    HA   SER  39           HA       SER  39   9.451  16.603   0.955
  248   1HB   SER  39          1HB       SER  39   8.030  14.699   2.860
  249   2HB   SER  39          2HB       SER  39   8.824  16.196   3.341
  250    HG   SER  39           HG       SER  39   7.045  16.519   1.294
  Start of MODEL    9
    1    H    ALA   6           H        ALA   6 -10.902 -15.791   3.985
    2    HA   ALA   6           HA       ALA   6 -12.083 -13.948   2.048
    3   1HB   ALA   6          1HB       ALA   6 -13.162 -14.801   4.727
    4   2HB   ALA   6          2HB       ALA   6 -13.756 -15.343   3.158
    5   3HB   ALA   6          3HB       ALA   6 -13.910 -13.646   3.626
    6    H    GLU   7           H        GLU   7 -11.879 -11.852   2.407
    7    HA   GLU   7           HA       GLU   7 -11.112  -9.910   3.143
    8   1HB   GLU   7          1HB       GLU   7 -11.142 -11.267   5.840
    9   2HB   GLU   7          2HB       GLU   7 -10.845  -9.538   5.600
   10   1HG   GLU   7          1HG       GLU   7 -13.044  -9.322   4.570
   11   2HG   GLU   7          2HG       GLU   7 -13.334 -11.040   4.822
   12    H    ASP   8           H        ASP   8  -9.388 -12.046   2.261
   13    HA   ASP   8           HA       ASP   8  -6.842 -11.240   3.478
   14   1HB   ASP   8          1HB       ASP   8  -7.489 -13.414   1.462
   15   2HB   ASP   8          2HB       ASP   8  -5.839 -12.923   1.838
   16    H    GLN   9           H        GLN   9  -8.760  -9.805   1.707
   17    HA   GLN   9           HA       GLN   9  -6.620  -8.542   0.273
   18   1HB   GLN   9          1HB       GLN   9  -9.551  -8.546  -0.524
   19   2HB   GLN   9          2HB       GLN   9  -8.289  -7.631  -1.349
   20   1HG   GLN   9          1HG       GLN   9  -7.250  -9.724  -2.024
   21   2HG   GLN   9          2HG       GLN   9  -8.542 -10.620  -1.202
   22   1HE2  GLN   9          1HE2      GLN   9  -7.848 -10.659  -4.018
   23   2HE2  GLN   9          2HE2      GLN   9  -9.252 -10.097  -4.866
   24    H    VAL  10           H        VAL  10  -6.299  -6.825   1.642
   25    HA   VAL  10           HA       VAL  10  -8.611  -5.864   3.132
   26    HB   VAL  10           HB       VAL  10  -6.947  -4.968   4.825
   27   1HG1  VAL  10          1HG1      VAL  10  -8.221  -7.002   5.216
   28   2HG1  VAL  10          2HG1      VAL  10  -6.588  -7.158   5.868
   29   3HG1  VAL  10          3HG1      VAL  10  -7.008  -7.946   4.348
   30   1HG2  VAL  10          1HG2      VAL  10  -4.708  -5.965   4.855
   31   2HG2  VAL  10          2HG2      VAL  10  -4.952  -5.008   3.392
   32   3HG2  VAL  10          3HG2      VAL  10  -5.040  -6.766   3.320
   33    HA   PRO  11           HA       PRO  11  -8.349  -2.089   1.082
   34   1HB   PRO  11          1HB       PRO  11  -9.359  -0.484   2.940
   35   2HB   PRO  11          2HB       PRO  11 -10.380  -1.437   1.855
   36   1HG   PRO  11          1HG       PRO  11  -9.678  -1.883   4.727
   37   2HG   PRO  11          2HG       PRO  11 -11.150  -2.372   3.856
   38   1HD   PRO  11          1HD       PRO  11  -9.128  -4.087   4.536
   39   2HD   PRO  11          2HD       PRO  11 -10.225  -4.332   3.162
   40    H    CYS  12           H        CYS  12  -6.716  -0.916   0.828
   41    HA   CYS  12           HA       CYS  12  -4.682  -0.502   2.746
   42   1HB   CYS  12          1HB       CYS  12  -4.151  -0.736   0.438
   43   2HB   CYS  12          2HB       CYS  12  -5.237   0.589   0.009
   44    H    GLU  13           H        GLU  13  -4.871   0.935   4.286
   45    HA   GLU  13           HA       GLU  13  -6.827   2.921   4.538
   46   1HB   GLU  13          1HB       GLU  13  -5.419   1.939   6.370
   47   2HB   GLU  13          2HB       GLU  13  -4.087   2.915   5.787
   48   1HG   GLU  13          1HG       GLU  13  -5.250   4.939   6.334
   49   2HG   GLU  13          2HG       GLU  13  -6.690   4.026   6.793
   50    H    LYS  14           H        LYS  14  -3.723   3.016   3.006
   51    HA   LYS  14           HA       LYS  14  -3.777   5.806   2.857
   52   1HB   LYS  14          1HB       LYS  14  -1.835   3.810   1.856
   53   2HB   LYS  14          2HB       LYS  14  -1.645   5.466   1.300
   54   1HG   LYS  14          1HG       LYS  14  -1.544   6.168   3.693
   55   2HG   LYS  14          2HG       LYS  14  -1.598   4.458   4.136
   56   1HD   LYS  14          1HD       LYS  14   0.443   4.028   2.969
   57   2HD   LYS  14          2HD       LYS  14   0.466   5.674   2.327
   58   1HE   LYS  14          1HE       LYS  14   0.562   5.039   5.267
   59   2HE   LYS  14          2HE       LYS  14   2.003   5.262   4.286
   60   1HZ   LYS  14          1HZ       LYS  14   1.424   7.296   5.409
   61   2HZ   LYS  14          2HZ       LYS  14  -0.128   7.288   4.772
   62   3HZ   LYS  14          3HZ       LYS  14   1.202   7.516   3.749
   63    H    CYS  15           H        CYS  15  -5.211   3.597   1.007
   64    HA   CYS  15           HA       CYS  15  -5.784   5.630  -1.016
   65   1HB   CYS  15          1HB       CYS  15  -5.398   4.364  -3.077
   66   2HB   CYS  15          2HB       CYS  15  -3.930   4.594  -2.120
   67    H    GLY  16           H        GLY  16  -7.041   2.858   0.467
   68   1HA   GLY  16          1HA       GLY  16  -9.271   2.422   0.730
   69   2HA   GLY  16          2HA       GLY  16  -9.659   3.469  -0.632
   70    H    SER  17           H        SER  17  -7.259   1.531  -1.645
   71    HA   SER  17           HA       SER  17  -9.013  -0.111  -3.222
   72   1HB   SER  17          1HB       SER  17  -6.005  -0.025  -2.990
   73   2HB   SER  17          2HB       SER  17  -6.905  -0.767  -4.318
   74    HG   SER  17           HG       SER  17  -6.135   1.356  -4.780
   75    H    LEU  18           H        LEU  18  -9.308  -2.326  -2.946
   76    HA   LEU  18           HA       LEU  18  -8.475  -3.528  -0.433
   77   1HB   LEU  18          1HB       LEU  18  -9.971  -4.655  -2.780
   78   2HB   LEU  18          2HB       LEU  18  -9.732  -5.483  -1.243
   79    HG   LEU  18           HG       LEU  18 -11.281  -2.907  -1.558
   80   1HD1  LEU  18          1HD1      LEU  18 -12.261  -5.743  -1.255
   81   2HD1  LEU  18          2HD1      LEU  18 -12.400  -4.754  -2.710
   82   3HD1  LEU  18          3HD1      LEU  18 -13.269  -4.298  -1.241
   83   1HD2  LEU  18          1HD2      LEU  18 -12.085  -3.426   0.687
   84   2HD2  LEU  18          2HD2      LEU  18 -10.330  -3.247   0.655
   85   3HD2  LEU  18          3HD2      LEU  18 -11.051  -4.854   0.729
   86    H    VAL  19           H        VAL  19  -6.494  -4.055  -0.321
   87    HA   VAL  19           HA       VAL  19  -5.102  -5.043  -2.723
   88    HB   VAL  19           HB       VAL  19  -3.882  -4.138  -0.122
   89   1HG1  VAL  19          1HG1      VAL  19  -1.810  -3.895  -1.408
   90   2HG1  VAL  19          2HG1      VAL  19  -2.628  -4.562  -2.823
   91   3HG1  VAL  19          3HG1      VAL  19  -2.401  -5.557  -1.386
   92   1HG2  VAL  19          1HG2      VAL  19  -4.333  -2.557  -2.643
   93   2HG2  VAL  19          2HG2      VAL  19  -3.356  -2.026  -1.278
   94   3HG2  VAL  19          3HG2      VAL  19  -5.090  -2.281  -1.075
   95    HA   PRO  20           HA       PRO  20  -5.069  -9.197  -1.018
   96   1HB   PRO  20          1HB       PRO  20  -2.530  -9.275  -2.590
   97   2HB   PRO  20          2HB       PRO  20  -3.874 -10.432  -2.580
   98   1HG   PRO  20          1HG       PRO  20  -3.564  -8.768  -4.607
   99   2HG   PRO  20          2HG       PRO  20  -5.186  -9.110  -3.959
  100   1HD   PRO  20          1HD       PRO  20  -3.471  -6.688  -3.580
  101   2HD   PRO  20          2HD       PRO  20  -5.236  -6.817  -3.776
  102    H    VAL  21           H        VAL  21  -4.357  -9.701   0.839
  103    HA   VAL  21           HA       VAL  21  -2.748  -8.248   2.502
  104    HB   VAL  21           HB       VAL  21  -4.434  -9.951   3.132
  105   1HG1  VAL  21          1HG1      VAL  21  -2.271 -11.953   2.657
  106   2HG1  VAL  21          2HG1      VAL  21  -3.800 -11.798   1.794
  107   3HG1  VAL  21          3HG1      VAL  21  -3.791 -12.263   3.497
  108   1HG2  VAL  21          1HG2      VAL  21  -1.806 -10.155   4.570
  109   2HG2  VAL  21          2HG2      VAL  21  -3.371 -10.702   5.184
  110   3HG2  VAL  21          3HG2      VAL  21  -3.106  -8.984   4.868
  111    H    TRP  22           H        TRP  22  -1.712 -10.903   0.435
  112    HA   TRP  22           HA       TRP  22   0.904 -11.057   1.500
  113   1HB   TRP  22          1HB       TRP  22   1.383 -12.449  -0.557
  114   2HB   TRP  22          2HB       TRP  22   0.073 -13.002   0.492
  115    HD1  TRP  22           HD1      TRP  22   0.663 -11.397  -2.951
  116    HE1  TRP  22           HE1      TRP  22  -1.407 -11.836  -4.393
  117    HE3  TRP  22           HE3      TRP  22  -2.325 -13.494   0.593
  118    HZ2  TRP  22           HZ2      TRP  22  -4.010 -12.934  -4.051
  119    HZ3  TRP  22           HZ3      TRP  22  -4.608 -14.217  -0.050
  120    HH2  TRP  22           HH2      TRP  22  -5.406 -13.937  -2.321
  121    H    ASP  23           H        ASP  23  -0.449  -8.904  -0.868
  122    HA   ASP  23           HA       ASP  23   2.277  -8.053  -1.620
  123   1HB   ASP  23          1HB       ASP  23  -0.399  -7.583  -2.926
  124   2HB   ASP  23          2HB       ASP  23   1.005  -6.578  -3.298
  125    H    MET  24           H        MET  24   0.083  -7.471   0.635
  126    HA   MET  24           HA       MET  24  -0.222  -4.750   0.767
  127   1HB   MET  24          1HB       MET  24  -0.488  -6.900   2.653
  128   2HB   MET  24          2HB       MET  24   0.111  -5.424   3.425
  129   1HG   MET  24          1HG       MET  24  -2.370  -5.742   1.772
  130   2HG   MET  24          2HG       MET  24  -2.263  -5.418   3.515
  131   1HE   MET  24          1HE       MET  24  -3.785  -3.245   3.420
  132   2HE   MET  24          2HE       MET  24  -4.035  -3.797   1.767
  133   3HE   MET  24          3HE       MET  24  -3.664  -2.094   2.075
  134    HA   PRO  25           HA       PRO  25   3.891  -4.164   3.306
  135   1HB   PRO  25          1HB       PRO  25   5.887  -5.932   2.503
  136   2HB   PRO  25          2HB       PRO  25   5.002  -6.027   4.037
  137   1HG   PRO  25          1HG       PRO  25   4.608  -7.559   1.505
  138   2HG   PRO  25          2HG       PRO  25   4.409  -8.091   3.183
  139   1HD   PRO  25          1HD       PRO  25   2.335  -7.502   1.566
  140   2HD   PRO  25          2HD       PRO  25   2.251  -7.225   3.317
  141    H    GLU  26           H        GLU  26   4.271  -5.780   0.233
  142    HA   GLU  26           HA       GLU  26   6.095  -4.132  -1.073
  143   1HB   GLU  26          1HB       GLU  26   3.830  -5.859  -1.975
  144   2HB   GLU  26          2HB       GLU  26   4.885  -5.101  -3.160
  145   1HG   GLU  26          1HG       GLU  26   5.742  -6.958  -0.954
  146   2HG   GLU  26          2HG       GLU  26   5.491  -7.419  -2.651
  147    H    HIS  27           H        HIS  27   2.594  -3.991  -1.095
  148    HA   HIS  27           HA       HIS  27   2.372  -1.701  -2.705
  149   1HB   HIS  27          1HB       HIS  27   0.618  -3.362  -2.378
  150   2HB   HIS  27          2HB       HIS  27   0.482  -2.919  -0.684
  151    HD1  HIS  27           HD1      HIS  27  -1.083  -2.210  -3.898
  152    HD2  HIS  27           HD2      HIS  27  -0.411  -0.204  -0.354
  153    HE1  HIS  27           HE1      HIS  27  -2.725  -0.296  -3.870
  154    H    MET  28           H        MET  28   2.425  -2.062   0.806
  155    HA   MET  28           HA       MET  28   2.075   0.725   1.263
  156   1HB   MET  28          1HB       MET  28   3.408  -1.186   3.202
  157   2HB   MET  28          2HB       MET  28   2.768   0.415   3.545
  158   1HG   MET  28          1HG       MET  28   0.498  -0.464   2.815
  159   2HG   MET  28          2HG       MET  28   1.222  -2.061   2.870
  160   1HE   MET  28          1HE       MET  28   0.244   1.131   4.887
  161   2HE   MET  28          2HE       MET  28   1.954   0.999   5.283
  162   3HE   MET  28          3HE       MET  28   0.740   0.708   6.521
  163    H    ASP  29           H        ASP  29   4.858  -1.215   0.546
  164    HA   ASP  29           HA       ASP  29   6.848   0.691   1.347
  165   1HB   ASP  29          1HB       ASP  29   7.377  -1.694   1.154
  166   2HB   ASP  29          2HB       ASP  29   6.864  -1.687  -0.534
  167    H    TYR  30           H        TYR  30   5.040  -0.006  -1.547
  168    HA   TYR  30           HA       TYR  30   6.385   1.794  -3.254
  169   1HB   TYR  30          1HB       TYR  30   4.840  -0.011  -4.040
  170   2HB   TYR  30          2HB       TYR  30   3.487   0.909  -3.370
  171    HD1  TYR  30           HD1      TYR  30   5.953   0.691  -6.071
  172    HD2  TYR  30           HD2      TYR  30   2.695   2.917  -4.495
  173    HE1  TYR  30           HE1      TYR  30   5.735   1.876  -8.215
  174    HE2  TYR  30           HE2      TYR  30   2.463   4.108  -6.633
  175    HH   TYR  30           HH       TYR  30   3.927   3.044  -9.435
  176    H    HIS  31           H        HIS  31   3.514   2.218  -1.171
  177    HA   HIS  31           HA       HIS  31   3.179   5.025  -1.818
  178   1HB   HIS  31          1HB       HIS  31   2.307   3.497   0.628
  179   2HB   HIS  31          2HB       HIS  31   2.123   5.242   0.505
  180    HD1  HIS  31           HD1      HIS  31   0.367   5.996  -1.487
  181    HD2  HIS  31           HD2      HIS  31   0.345   2.083  -0.217
  182    HE1  HIS  31           HE1      HIS  31  -1.910   5.110  -2.100
  183    H    PHE  32           H        PHE  32   5.162   3.268   0.460
  184    HA   PHE  32           HA       PHE  32   5.799   5.379   2.140
  185   1HB   PHE  32          1HB       PHE  32   6.273   2.876   2.419
  186   2HB   PHE  32          2HB       PHE  32   7.687   3.156   1.394
  187    HD1  PHE  32           HD1      PHE  32   9.462   4.745   2.200
  188    HD2  PHE  32           HD2      PHE  32   6.277   3.394   4.647
  189    HE1  PHE  32           HE1      PHE  32  10.729   5.446   4.197
  190    HE2  PHE  32           HE2      PHE  32   7.525   4.100   6.669
  191    HZ   PHE  32           HZ       PHE  32   9.753   5.123   6.433
  192    H    ALA  33           H        ALA  33   7.561   4.046  -0.603
  193    HA   ALA  33           HA       ALA  33   9.559   6.066  -0.665
  194   1HB   ALA  33          1HB       ALA  33   8.634   4.280  -2.919
  195   2HB   ALA  33          2HB       ALA  33   9.885   3.889  -1.740
  196   3HB   ALA  33          3HB       ALA  33  10.136   5.200  -2.891
  197    H    LEU  34           H        LEU  34   6.498   5.720  -2.334
  198    HA   LEU  34           HA       LEU  34   6.742   7.933  -4.064
  199   1HB   LEU  34          1HB       LEU  34   5.057   6.126  -4.275
  200   2HB   LEU  34          2HB       LEU  34   4.218   6.796  -2.877
  201    HG   LEU  34           HG       LEU  34   3.765   8.842  -4.153
  202   1HD1  LEU  34          1HD1      LEU  34   5.021   7.348  -6.457
  203   2HD1  LEU  34          2HD1      LEU  34   5.696   8.769  -5.654
  204   3HD1  LEU  34          3HD1      LEU  34   4.191   8.900  -6.553
  205   1HD2  LEU  34          1HD2      LEU  34   2.138   7.011  -4.124
  206   2HD2  LEU  34          2HD2      LEU  34   2.906   6.312  -5.550
  207   3HD2  LEU  34          3HD2      LEU  34   2.108   7.882  -5.657
  208    H    GLU  35           H        GLU  35   5.429   7.677  -0.789
  209    HA   GLU  35           HA       GLU  35   4.770  10.482  -0.679
  210   1HB   GLU  35          1HB       GLU  35   4.559   8.237   1.319
  211   2HB   GLU  35          2HB       GLU  35   4.113   9.901   1.693
  212   1HG   GLU  35          1HG       GLU  35   2.377   9.888   0.086
  213   2HG   GLU  35          2HG       GLU  35   2.947   8.357  -0.592
  214    H    LEU  36           H        LEU  36   7.464   8.576  -0.199
  215    HA   LEU  36           HA       LEU  36   8.923  10.310   1.624
  216   1HB   LEU  36          1HB       LEU  36   9.409   7.849   1.326
  217   2HB   LEU  36          2HB       LEU  36   9.705   8.153  -0.375
  218    HG   LEU  36           HG       LEU  36  11.462   9.251   1.808
  219   1HD1  LEU  36          1HD1      LEU  36  11.349   6.820   2.028
  220   2HD1  LEU  36          2HD1      LEU  36  12.911   7.325   1.385
  221   3HD1  LEU  36          3HD1      LEU  36  11.695   6.645   0.306
  222   1HD2  LEU  36          1HD2      LEU  36  11.994   8.629  -1.101
  223   2HD2  LEU  36          2HD2      LEU  36  13.133   9.351   0.034
  224   3HD2  LEU  36          3HD2      LEU  36  11.686  10.238  -0.454
  225    H    GLN  37           H        GLN  37   8.251  10.152  -1.740
  226    HA   GLN  37           HA       GLN  37  10.126  12.234  -2.363
  227   1HB   GLN  37          1HB       GLN  37   7.795  11.135  -3.949
  228   2HB   GLN  37          2HB       GLN  37   9.073  12.184  -4.575
  229   1HG   GLN  37          1HG       GLN  37  10.700  10.440  -4.236
  230   2HG   GLN  37          2HG       GLN  37   9.467   9.406  -3.494
  231   1HE2  GLN  37          1HE2      GLN  37  11.126   8.922  -5.764
  232   2HE2  GLN  37          2HE2      GLN  37  10.081   8.597  -7.112
  233    H    LYS  38           H        LYS  38   6.649  11.777  -2.141
  234    HA   LYS  38           HA       LYS  38   4.897  13.067  -1.839
  235   1HB   LYS  38          1HB       LYS  38   4.890  14.592   0.058
  236   2HB   LYS  38          2HB       LYS  38   5.678  13.066   0.458
  237   1HG   LYS  38          1HG       LYS  38   7.859  14.229   0.271
  238   2HG   LYS  38          2HG       LYS  38   6.988  15.740  -0.045
  239   1HD   LYS  38          1HD       LYS  38   6.788  14.053   2.460
  240   2HD   LYS  38          2HD       LYS  38   7.640  15.585   2.315
  241   1HE   LYS  38          1HE       LYS  38   5.540  16.735   1.829
  242   2HE   LYS  38          2HE       LYS  38   4.665  15.212   1.904
  243   1HZ   LYS  38          1HZ       LYS  38   6.102  16.467   4.181
  244   2HZ   LYS  38          2HZ       LYS  38   5.253  15.025   4.226
  245   3HZ   LYS  38          3HZ       LYS  38   4.433  16.460   3.938
  246    H    SER  39           H        SER  39   6.368  13.777  -4.018
  247    HA   SER  39           HA       SER  39   6.551  16.566  -4.363
  248   1HB   SER  39          1HB       SER  39   6.101  14.424  -6.456
  249   2HB   SER  39          2HB       SER  39   6.775  16.037  -6.725
  250    HG   SER  39           HG       SER  39   8.371  15.281  -5.033
  Start of MODEL   10
    1    H    ALA   6           H        ALA   6 -10.352 -13.498  -2.974
    2    HA   ALA   6           HA       ALA   6  -9.330 -16.044  -1.928
    3   1HB   ALA   6          1HB       ALA   6  -8.057 -13.313  -1.966
    4   2HB   ALA   6          2HB       ALA   6  -7.689 -14.647  -3.068
    5   3HB   ALA   6          3HB       ALA   6  -7.340 -14.795  -1.340
    6    H    GLU   7           H        GLU   7 -10.906 -13.106  -1.150
    7    HA   GLU   7           HA       GLU   7 -11.826 -12.238   0.641
    8   1HB   GLU   7          1HB       GLU   7 -11.424 -14.977   1.855
    9   2HB   GLU   7          2HB       GLU   7 -12.421 -13.695   2.554
   10   1HG   GLU   7          1HG       GLU   7 -13.798 -13.746   0.469
   11   2HG   GLU   7          2HG       GLU   7 -12.868 -15.153  -0.039
   12    H    ASP   8           H        ASP   8  -8.899 -12.334   0.259
   13    HA   ASP   8           HA       ASP   8  -8.062 -11.446   2.971
   14   1HB   ASP   8          1HB       ASP   8  -6.452 -12.946   0.913
   15   2HB   ASP   8          2HB       ASP   8  -5.695 -11.980   2.182
   16    H    GLN   9           H        GLN   9  -9.171  -9.963   0.510
   17    HA   GLN   9           HA       GLN   9  -6.848  -8.312   0.188
   18   1HB   GLN   9          1HB       GLN   9  -9.537  -8.232  -1.181
   19   2HB   GLN   9          2HB       GLN   9  -8.207  -7.114  -1.506
   20   1HG   GLN   9          1HG       GLN   9  -6.855  -8.978  -2.268
   21   2HG   GLN   9          2HG       GLN   9  -8.215 -10.083  -2.006
   22   1HE2  GLN   9          1HE2      GLN   9  -8.408 -10.646  -4.152
   23   2HE2  GLN   9          2HE2      GLN   9  -8.936  -9.539  -5.380
   24    H    VAL  10           H        VAL  10  -6.626  -6.814   1.618
   25    HA   VAL  10           HA       VAL  10  -9.005  -5.861   2.990
   26    HB   VAL  10           HB       VAL  10  -7.438  -5.118   4.822
   27   1HG1  VAL  10          1HG1      VAL  10  -8.660  -7.213   5.030
   28   2HG1  VAL  10          2HG1      VAL  10  -7.054  -7.372   5.741
   29   3HG1  VAL  10          3HG1      VAL  10  -7.385  -8.058   4.153
   30   1HG2  VAL  10          1HG2      VAL  10  -5.171  -6.053   4.893
   31   2HG2  VAL  10          2HG2      VAL  10  -5.380  -4.991   3.499
   32   3HG2  VAL  10          3HG2      VAL  10  -5.405  -6.741   3.286
   33    HA   PRO  11           HA       PRO  11  -8.469  -2.082   0.954
   34   1HB   PRO  11          1HB       PRO  11  -9.486  -0.363   2.644
   35   2HB   PRO  11          2HB       PRO  11 -10.516  -1.465   1.712
   36   1HG   PRO  11          1HG       PRO  11  -9.634  -1.678   4.579
   37   2HG   PRO  11          2HG       PRO  11 -11.223  -2.061   3.875
   38   1HD   PRO  11          1HD       PRO  11  -9.390  -3.968   4.457
   39   2HD   PRO  11          2HD       PRO  11 -10.517  -4.101   3.090
   40    H    CYS  12           H        CYS  12  -6.712  -0.981   0.735
   41    HA   CYS  12           HA       CYS  12  -4.775  -0.703   2.781
   42   1HB   CYS  12          1HB       CYS  12  -4.070  -1.007   0.544
   43   2HB   CYS  12          2HB       CYS  12  -5.023   0.380   0.008
   44    H    GLU  13           H        GLU  13  -4.826   0.795   4.273
   45    HA   GLU  13           HA       GLU  13  -6.751   2.771   4.605
   46   1HB   GLU  13          1HB       GLU  13  -4.014   2.716   5.854
   47   2HB   GLU  13          2HB       GLU  13  -5.446   3.511   6.494
   48   1HG   GLU  13          1HG       GLU  13  -6.526   1.318   6.756
   49   2HG   GLU  13          2HG       GLU  13  -5.067   0.537   6.158
   50    H    LYS  14           H        LYS  14  -3.728   3.037   2.959
   51    HA   LYS  14           HA       LYS  14  -3.864   5.889   2.975
   52   1HB   LYS  14          1HB       LYS  14  -1.883   3.963   1.918
   53   2HB   LYS  14          2HB       LYS  14  -1.785   5.592   1.287
   54   1HG   LYS  14          1HG       LYS  14  -1.502   6.434   3.579
   55   2HG   LYS  14          2HG       LYS  14  -1.611   4.781   4.192
   56   1HD   LYS  14          1HD       LYS  14   0.352   4.163   2.866
   57   2HD   LYS  14          2HD       LYS  14   0.417   5.813   2.236
   58   1HE   LYS  14          1HE       LYS  14   0.704   5.134   5.167
   59   2HE   LYS  14          2HE       LYS  14   2.069   5.314   4.073
   60   1HZ   LYS  14          1HZ       LYS  14   0.072   7.419   4.722
   61   2HZ   LYS  14          2HZ       LYS  14   1.366   7.611   3.661
   62   3HZ   LYS  14          3HZ       LYS  14   1.651   7.329   5.299
   63    H    CYS  15           H        CYS  15  -5.255   3.668   1.162
   64    HA   CYS  15           HA       CYS  15  -5.785   5.639  -0.968
   65   1HB   CYS  15          1HB       CYS  15  -5.375   4.197  -2.900
   66   2HB   CYS  15          2HB       CYS  15  -3.928   4.487  -1.926
   67    H    GLY  16           H        GLY  16  -7.061   2.783   0.501
   68   1HA   GLY  16          1HA       GLY  16  -9.334   2.354   0.721
   69   2HA   GLY  16          2HA       GLY  16  -9.658   3.437  -0.640
   70    H    SER  17           H        SER  17  -7.234   1.691  -1.723
   71    HA   SER  17           HA       SER  17  -8.906   0.038  -3.367
   72   1HB   SER  17          1HB       SER  17  -5.898   0.230  -3.128
   73   2HB   SER  17          2HB       SER  17  -6.748  -0.537  -4.472
   74    HG   SER  17           HG       SER  17  -7.800   1.764  -4.451
   75    H    LEU  18           H        LEU  18  -9.162  -2.157  -3.160
   76    HA   LEU  18           HA       LEU  18  -8.427  -3.420  -0.656
   77   1HB   LEU  18          1HB       LEU  18  -9.760  -4.501  -3.129
   78   2HB   LEU  18          2HB       LEU  18  -9.582  -5.360  -1.600
   79    HG   LEU  18           HG       LEU  18 -11.172  -2.823  -1.948
   80   1HD1  LEU  18          1HD1      LEU  18 -13.127  -4.276  -1.762
   81   2HD1  LEU  18          2HD1      LEU  18 -12.079  -5.694  -1.751
   82   3HD1  LEU  18          3HD1      LEU  18 -12.170  -4.672  -3.187
   83   1HD2  LEU  18          1HD2      LEU  18 -10.313  -3.167   0.305
   84   2HD2  LEU  18          2HD2      LEU  18 -10.987  -4.795   0.323
   85   3HD2  LEU  18          3HD2      LEU  18 -12.059  -3.396   0.255
   86    H    VAL  19           H        VAL  19  -6.535  -4.123  -0.337
   87    HA   VAL  19           HA       VAL  19  -5.047  -5.131  -2.669
   88    HB   VAL  19           HB       VAL  19  -3.863  -4.054  -0.110
   89   1HG1  VAL  19          1HG1      VAL  19  -1.770  -3.933  -1.361
   90   2HG1  VAL  19          2HG1      VAL  19  -2.565  -4.661  -2.756
   91   3HG1  VAL  19          3HG1      VAL  19  -2.386  -5.584  -1.262
   92   1HG2  VAL  19          1HG2      VAL  19  -4.252  -2.653  -2.741
   93   2HG2  VAL  19          2HG2      VAL  19  -3.287  -2.036  -1.402
   94   3HG2  VAL  19          3HG2      VAL  19  -5.027  -2.260  -1.211
   95    HA   PRO  20           HA       PRO  20  -5.203  -9.140  -0.699
   96   1HB   PRO  20          1HB       PRO  20  -2.644  -9.448  -2.204
   97   2HB   PRO  20          2HB       PRO  20  -4.058 -10.522  -2.161
   98   1HG   PRO  20          1HG       PRO  20  -3.575  -8.973  -4.273
   99   2HG   PRO  20          2HG       PRO  20  -5.235  -9.242  -3.692
  100   1HD   PRO  20          1HD       PRO  20  -3.475  -6.845  -3.379
  101   2HD   PRO  20          2HD       PRO  20  -5.236  -6.948  -3.603
  102    H    VAL  21           H        VAL  21  -4.524  -9.594   1.204
  103    HA   VAL  21           HA       VAL  21  -2.948  -8.099   2.818
  104    HB   VAL  21           HB       VAL  21  -4.637  -9.919   3.331
  105   1HG1  VAL  21          1HG1      VAL  21  -3.663 -11.786   2.235
  106   2HG1  VAL  21          2HG1      VAL  21  -3.861 -12.121   3.956
  107   3HG1  VAL  21          3HG1      VAL  21  -2.266 -11.730   3.310
  108   1HG2  VAL  21          1HG2      VAL  21  -2.217  -9.751   5.112
  109   2HG2  VAL  21          2HG2      VAL  21  -3.837 -10.359   5.532
  110   3HG2  VAL  21          3HG2      VAL  21  -3.631  -8.672   5.088
  111    H    TRP  22           H        TRP  22  -1.846 -10.817   0.873
  112    HA   TRP  22           HA       TRP  22   0.763 -10.858   1.965
  113   1HB   TRP  22          1HB       TRP  22   1.249 -12.423   0.043
  114   2HB   TRP  22          2HB       TRP  22  -0.039 -12.906   1.150
  115    HD1  TRP  22           HD1      TRP  22   0.445 -11.554  -2.442
  116    HE1  TRP  22           HE1      TRP  22  -1.623 -12.168  -3.808
  117    HE3  TRP  22           HE3      TRP  22  -2.420 -13.500   1.273
  118    HZ2  TRP  22           HZ2      TRP  22  -4.147 -13.343  -3.381
  119    HZ3  TRP  22           HZ3      TRP  22  -4.667 -14.358   0.694
  120    HH2  TRP  22           HH2      TRP  22  -5.484 -14.270  -1.584
  121    H    ASP  23           H        ASP  23  -0.614  -8.801  -0.375
  122    HA   ASP  23           HA       ASP  23   2.048  -8.132  -1.537
  123   1HB   ASP  23          1HB       ASP  23  -0.740  -7.219  -2.347
  124   2HB   ASP  23          2HB       ASP  23   0.767  -6.726  -3.124
  125    H    MET  24           H        MET  24   0.152  -7.385   0.984
  126    HA   MET  24           HA       MET  24   0.025  -4.659   1.053
  127   1HB   MET  24          1HB       MET  24  -0.027  -6.677   3.162
  128   2HB   MET  24          2HB       MET  24   0.294  -5.008   3.671
  129   1HG   MET  24          1HG       MET  24  -2.043  -6.017   2.096
  130   2HG   MET  24          2HG       MET  24  -2.047  -5.402   3.764
  131   1HE   MET  24          1HE       MET  24  -3.934  -2.626   1.859
  132   2HE   MET  24          2HE       MET  24  -3.846  -3.584   3.341
  133   3HE   MET  24          3HE       MET  24  -4.015  -4.400   1.789
  134    HA   PRO  25           HA       PRO  25   4.306  -4.183   3.463
  135   1HB   PRO  25          1HB       PRO  25   5.646  -6.496   2.103
  136   2HB   PRO  25          2HB       PRO  25   5.946  -5.827   3.720
  137   1HG   PRO  25          1HG       PRO  25   4.606  -8.080   3.484
  138   2HG   PRO  25          2HG       PRO  25   4.046  -6.835   4.617
  139   1HD   PRO  25          1HD       PRO  25   2.967  -7.560   1.919
  140   2HD   PRO  25          2HD       PRO  25   2.103  -7.109   3.408
  141    H    GLU  26           H        GLU  26   4.443  -5.811   0.384
  142    HA   GLU  26           HA       GLU  26   6.240  -4.238  -1.032
  143   1HB   GLU  26          1HB       GLU  26   3.942  -5.992  -1.719
  144   2HB   GLU  26          2HB       GLU  26   4.920  -5.332  -3.013
  145   1HG   GLU  26          1HG       GLU  26   5.791  -7.105  -0.747
  146   2HG   GLU  26          2HG       GLU  26   5.656  -7.548  -2.463
  147    H    HIS  27           H        HIS  27   2.739  -4.069  -1.048
  148    HA   HIS  27           HA       HIS  27   2.515  -1.791  -2.699
  149   1HB   HIS  27          1HB       HIS  27   0.770  -3.406  -2.324
  150   2HB   HIS  27          2HB       HIS  27   0.642  -2.953  -0.628
  151    HD1  HIS  27           HD1      HIS  27  -0.879  -2.182  -3.892
  152    HD2  HIS  27           HD2      HIS  27  -0.318  -0.298  -0.270
  153    HE1  HIS  27           HE1      HIS  27  -2.574  -0.294  -3.831
  154    H    MET  28           H        MET  28   2.801  -2.196   0.755
  155    HA   MET  28           HA       MET  28   2.481   0.481   1.478
  156   1HB   MET  28          1HB       MET  28   4.005  -1.715   2.902
  157   2HB   MET  28          2HB       MET  28   3.887  -0.082   3.538
  158   1HG   MET  28          1HG       MET  28   1.354  -1.458   2.848
  159   2HG   MET  28          2HG       MET  28   2.220  -2.008   4.274
  160   1HE   MET  28          1HE       MET  28   0.738   2.366   3.812
  161   2HE   MET  28          2HE       MET  28   0.585   1.171   2.520
  162   3HE   MET  28          3HE       MET  28   2.176   1.774   2.999
  163    H    ASP  29           H        ASP  29   5.254  -1.305   0.321
  164    HA   ASP  29           HA       ASP  29   7.203   0.747   0.883
  165   1HB   ASP  29          1HB       ASP  29   7.900  -1.606   0.432
  166   2HB   ASP  29          2HB       ASP  29   7.320  -1.430  -1.231
  167    H    TYR  30           H        TYR  30   5.061   0.074  -1.764
  168    HA   TYR  30           HA       TYR  30   6.113   1.967  -3.564
  169   1HB   TYR  30          1HB       TYR  30   4.421   0.151  -4.097
  170   2HB   TYR  30          2HB       TYR  30   3.214   1.159  -3.289
  171    HD1  TYR  30           HD1      TYR  30   5.050   0.543  -6.316
  172    HD2  TYR  30           HD2      TYR  30   2.671   3.417  -4.292
  173    HE1  TYR  30           HE1      TYR  30   4.641   1.695  -8.448
  174    HE2  TYR  30           HE2      TYR  30   2.250   4.577  -6.418
  175    HH   TYR  30           HH       TYR  30   3.519   4.760  -8.634
  176    H    HIS  31           H        HIS  31   3.494   2.263  -1.140
  177    HA   HIS  31           HA       HIS  31   3.089   5.094  -1.638
  178   1HB   HIS  31          1HB       HIS  31   2.387   3.490   0.827
  179   2HB   HIS  31          2HB       HIS  31   2.157   5.234   0.731
  180    HD1  HIS  31           HD1      HIS  31   0.350   5.922  -1.304
  181    HD2  HIS  31           HD2      HIS  31   0.321   2.088   0.213
  182    HE1  HIS  31           HE1      HIS  31  -1.909   4.987  -1.900
  183    H    PHE  32           H        PHE  32   5.186   3.279   0.482
  184    HA   PHE  32           HA       PHE  32   6.021   5.276   2.223
  185   1HB   PHE  32          1HB       PHE  32   6.481   2.750   2.267
  186   2HB   PHE  32          2HB       PHE  32   7.762   3.073   1.096
  187    HD1  PHE  32           HD1      PHE  32   6.894   2.795   4.490
  188    HD2  PHE  32           HD2      PHE  32   9.594   4.767   1.865
  189    HE1  PHE  32           HE1      PHE  32   8.418   3.218   6.378
  190    HE2  PHE  32           HE2      PHE  32  11.122   5.190   3.739
  191    HZ   PHE  32           HZ       PHE  32  10.534   4.417   6.004
  192    H    ALA  33           H        ALA  33   7.491   4.090  -0.706
  193    HA   ALA  33           HA       ALA  33   9.563   6.011  -0.941
  194   1HB   ALA  33          1HB       ALA  33   8.230   4.404  -3.122
  195   2HB   ALA  33          2HB       ALA  33   9.580   3.860  -2.130
  196   3HB   ALA  33          3HB       ALA  33   9.793   5.212  -3.245
  197    H    LEU  34           H        LEU  34   6.384   5.816  -2.393
  198    HA   LEU  34           HA       LEU  34   6.522   8.059  -4.087
  199   1HB   LEU  34          1HB       LEU  34   4.855   6.238  -4.225
  200   2HB   LEU  34          2HB       LEU  34   4.092   6.872  -2.771
  201    HG   LEU  34           HG       LEU  34   3.504   8.915  -3.986
  202   1HD1  LEU  34          1HD1      LEU  34   4.711   7.489  -6.351
  203   2HD1  LEU  34          2HD1      LEU  34   5.318   8.971  -5.605
  204   3HD1  LEU  34          3HD1      LEU  34   3.763   8.971  -6.429
  205   1HD2  LEU  34          1HD2      LEU  34   1.816   7.911  -5.424
  206   2HD2  LEU  34          2HD2      LEU  34   1.948   7.045  -3.893
  207   3HD2  LEU  34          3HD2      LEU  34   2.670   6.373  -5.353
  208    H    GLU  35           H        GLU  35   5.349   7.761  -0.760
  209    HA   GLU  35           HA       GLU  35   4.702  10.566  -0.646
  210   1HB   GLU  35          1HB       GLU  35   4.554   8.333   1.378
  211   2HB   GLU  35          2HB       GLU  35   4.127  10.002   1.750
  212   1HG   GLU  35          1HG       GLU  35   2.350   9.986   0.174
  213   2HG   GLU  35          2HG       GLU  35   2.885   8.432  -0.481
  214    H    LEU  36           H        LEU  36   7.446   8.617  -0.085
  215    HA   LEU  36           HA       LEU  36   8.719  10.455   1.702
  216   1HB   LEU  36          1HB       LEU  36   9.284   8.051   1.689
  217   2HB   LEU  36          2HB       LEU  36   9.782   8.183   0.007
  218    HG   LEU  36           HG       LEU  36  11.672   9.533   0.658
  219   1HD1  LEU  36          1HD1      LEU  36  10.727  10.629   2.646
  220   2HD1  LEU  36          2HD1      LEU  36  12.236   9.808   3.057
  221   3HD1  LEU  36          3HD1      LEU  36  10.687   9.081   3.488
  222   1HD2  LEU  36          1HD2      LEU  36  11.421   6.991   2.252
  223   2HD2  LEU  36          2HD2      LEU  36  12.935   7.801   1.841
  224   3HD2  LEU  36          3HD2      LEU  36  11.920   7.125   0.567
  225    H    GLN  37           H        GLN  37   8.221  10.169  -1.668
  226    HA   GLN  37           HA       GLN  37  10.395  11.700  -2.629
  227   1HB   GLN  37          1HB       GLN  37   7.594  11.549  -3.775
  228   2HB   GLN  37          2HB       GLN  37   9.013  12.170  -4.619
  229   1HG   GLN  37          1HG       GLN  37   8.467   9.331  -3.771
  230   2HG   GLN  37          2HG       GLN  37   8.504   9.975  -5.421
  231   1HE2  GLN  37          1HE2      GLN  37  10.311   8.861  -2.754
  232   2HE2  GLN  37          2HE2      GLN  37  11.875   8.865  -3.505
  233    H    LYS  38           H        LYS  38   7.204  12.585  -1.496
  234    HA   LYS  38           HA       LYS  38   7.733  15.413  -1.903
  235   1HB   LYS  38          1HB       LYS  38   5.365  15.704  -1.189
  236   2HB   LYS  38          2HB       LYS  38   5.564  14.653  -2.596
  237   1HG   LYS  38          1HG       LYS  38   5.240  12.703  -1.202
  238   2HG   LYS  38          2HG       LYS  38   5.114  13.727   0.238
  239   1HD   LYS  38          1HD       LYS  38   3.125  14.786  -0.714
  240   2HD   LYS  38          2HD       LYS  38   3.251  13.760  -2.143
  241   1HE   LYS  38          1HE       LYS  38   2.981  11.780  -0.715
  242   2HE   LYS  38          2HE       LYS  38   2.815  12.824   0.697
  243   1HZ   LYS  38          1HZ       LYS  38   0.670  12.128  -0.109
  244   2HZ   LYS  38          2HZ       LYS  38   0.987  12.733  -1.643
  245   3HZ   LYS  38          3HZ       LYS  38   0.839  13.780  -0.341
  246    H    SER  39           H        SER  39   9.106  13.764   0.187
  247    HA   SER  39           HA       SER  39   8.354  15.412   2.471
  248   1HB   SER  39          1HB       SER  39   9.383  12.569   2.482
  249   2HB   SER  39          2HB       SER  39   9.163  13.561   3.928
  250    HG   SER  39           HG       SER  39   7.227  12.419   2.226
  Start of MODEL   11
    1    H    ALA   6           H        ALA   6  -9.478 -14.715  -4.086
    2    HA   ALA   6           HA       ALA   6  -9.729 -15.401  -1.393
    3   1HB   ALA   6          1HB       ALA   6  -7.598 -15.411  -2.574
    4   2HB   ALA   6          2HB       ALA   6  -7.515 -14.400  -1.127
    5   3HB   ALA   6          3HB       ALA   6  -7.662 -13.654  -2.717
    6    H    GLU   7           H        GLU   7 -10.555 -14.320   0.246
    7    HA   GLU   7           HA       GLU   7 -11.253 -11.506  -0.048
    8   1HB   GLU   7          1HB       GLU   7 -11.982 -13.552   2.032
    9   2HB   GLU   7          2HB       GLU   7 -12.489 -11.858   2.088
   10   1HG   GLU   7          1HG       GLU   7 -13.660 -12.143  -0.015
   11   2HG   GLU   7          2HG       GLU   7 -13.120 -13.814  -0.089
   12    H    ASP   8           H        ASP   8  -8.573 -12.797   0.594
   13    HA   ASP   8           HA       ASP   8  -7.899 -11.447   3.134
   14   1HB   ASP   8          1HB       ASP   8  -6.232 -13.284   1.367
   15   2HB   ASP   8          2HB       ASP   8  -5.708 -12.589   2.910
   16    H    GLN   9           H        GLN   9  -8.689  -9.703   1.616
   17    HA   GLN   9           HA       GLN   9  -6.328  -8.357   0.668
   18   1HB   GLN   9          1HB       GLN   9  -9.074  -8.237  -0.607
   19   2HB   GLN   9          2HB       GLN   9  -7.670  -7.299  -1.111
   20   1HG   GLN   9          1HG       GLN   9  -6.568  -9.384  -1.769
   21   2HG   GLN   9          2HG       GLN   9  -8.024 -10.283  -1.317
   22   1HE2  GLN   9          1HE2      GLN   9  -9.798  -8.209  -2.312
   23   2HE2  GLN   9          2HE2      GLN   9  -9.702  -8.273  -4.046
   24    H    VAL  10           H        VAL  10  -6.172  -6.656   1.957
   25    HA   VAL  10           HA       VAL  10  -8.594  -5.723   3.287
   26    HB   VAL  10           HB       VAL  10  -7.118  -4.707   5.010
   27   1HG1  VAL  10          1HG1      VAL  10  -6.564  -7.631   4.545
   28   2HG1  VAL  10          2HG1      VAL  10  -7.984  -6.967   5.346
   29   3HG1  VAL  10          3HG1      VAL  10  -6.391  -6.782   6.080
   30   1HG2  VAL  10          1HG2      VAL  10  -4.876  -6.091   3.534
   31   2HG2  VAL  10          2HG2      VAL  10  -4.738  -5.268   5.092
   32   3HG2  VAL  10          3HG2      VAL  10  -5.132  -4.348   3.640
   33    HA   PRO  11           HA       PRO  11  -8.318  -2.039   0.922
   34   1HB   PRO  11          1HB       PRO  11  -9.410  -0.288   2.633
   35   2HB   PRO  11          2HB       PRO  11 -10.379  -1.344   1.592
   36   1HG   PRO  11          1HG       PRO  11  -9.748  -1.589   4.501
   37   2HG   PRO  11          2HG       PRO  11 -11.215  -2.069   3.625
   38   1HD   PRO  11          1HD       PRO  11  -9.316  -3.853   4.428
   39   2HD   PRO  11          2HD       PRO  11 -10.329  -4.090   2.989
   40    H    CYS  12           H        CYS  12  -6.607  -0.918   0.721
   41    HA   CYS  12           HA       CYS  12  -4.692  -0.505   2.775
   42   1HB   CYS  12          1HB       CYS  12  -4.025  -0.936   0.515
   43   2HB   CYS  12          2HB       CYS  12  -4.976   0.433  -0.058
   44    H    GLU  13           H        GLU  13  -5.115   1.076   4.318
   45    HA   GLU  13           HA       GLU  13  -6.980   3.086   4.310
   46   1HB   GLU  13          1HB       GLU  13  -4.333   2.926   5.726
   47   2HB   GLU  13          2HB       GLU  13  -5.412   4.283   5.940
   48   1HG   GLU  13          1HG       GLU  13  -5.600   2.676   7.764
   49   2HG   GLU  13          2HG       GLU  13  -7.107   2.844   6.884
   50    H    LYS  14           H        LYS  14  -3.836   3.239   2.899
   51    HA   LYS  14           HA       LYS  14  -3.953   6.047   2.678
   52   1HB   LYS  14          1HB       LYS  14  -1.898   4.073   1.854
   53   2HB   LYS  14          2HB       LYS  14  -1.663   5.750   1.381
   54   1HG   LYS  14          1HG       LYS  14  -1.962   6.332   3.806
   55   2HG   LYS  14          2HG       LYS  14  -1.932   4.611   4.159
   56   1HD   LYS  14          1HD       LYS  14   0.308   4.477   3.153
   57   2HD   LYS  14          2HD       LYS  14   0.229   6.224   2.848
   58   1HE   LYS  14          1HE       LYS  14  -0.054   6.592   5.301
   59   2HE   LYS  14          2HE       LYS  14   0.112   4.858   5.528
   60   1HZ   LYS  14          1HZ       LYS  14   2.319   4.930   4.754
   61   2HZ   LYS  14          2HZ       LYS  14   2.149   6.052   5.978
   62   3HZ   LYS  14          3HZ       LYS  14   2.242   6.569   4.366
   63    H    CYS  15           H        CYS  15  -5.172   3.771   0.888
   64    HA   CYS  15           HA       CYS  15  -5.678   5.669  -1.319
   65   1HB   CYS  15          1HB       CYS  15  -5.216   4.179  -3.195
   66   2HB   CYS  15          2HB       CYS  15  -3.796   4.455  -2.176
   67    H    GLY  16           H        GLY  16  -6.968   2.910   0.314
   68   1HA   GLY  16          1HA       GLY  16  -9.254   2.522   0.532
   69   2HA   GLY  16          2HA       GLY  16  -9.530   3.488  -0.921
   70    H    SER  17           H        SER  17  -7.136   1.577  -1.837
   71    HA   SER  17           HA       SER  17  -8.866  -0.135  -3.358
   72   1HB   SER  17          1HB       SER  17  -5.861   0.013  -3.156
   73   2HB   SER  17          2HB       SER  17  -6.759  -0.801  -4.448
   74    HG   SER  17           HG       SER  17  -7.515   1.152  -5.125
   75    H    LEU  18           H        LEU  18  -9.164  -2.311  -3.038
   76    HA   LEU  18           HA       LEU  18  -8.399  -3.495  -0.517
   77   1HB   LEU  18          1HB       LEU  18  -9.769  -4.637  -2.938
   78   2HB   LEU  18          2HB       LEU  18  -9.586  -5.461  -1.392
   79    HG   LEU  18           HG       LEU  18 -11.127  -2.898  -1.756
   80   1HD1  LEU  18          1HD1      LEU  18 -13.127  -4.301  -1.590
   81   2HD1  LEU  18          2HD1      LEU  18 -12.114  -5.744  -1.571
   82   3HD1  LEU  18          3HD1      LEU  18 -12.168  -4.725  -3.009
   83   1HD2  LEU  18          1HD2      LEU  18 -10.299  -3.283   0.503
   84   2HD2  LEU  18          2HD2      LEU  18 -11.026  -4.888   0.502
   85   3HD2  LEU  18          3HD2      LEU  18 -12.052  -3.455   0.432
   86    H    VAL  19           H        VAL  19  -6.420  -3.990  -0.324
   87    HA   VAL  19           HA       VAL  19  -4.991  -5.092  -2.645
   88    HB   VAL  19           HB       VAL  19  -3.820  -3.860  -0.150
   89   1HG1  VAL  19          1HG1      VAL  19  -1.704  -3.820  -1.389
   90   2HG1  VAL  19          2HG1      VAL  19  -2.482  -4.678  -2.719
   91   3HG1  VAL  19          3HG1      VAL  19  -2.301  -5.464  -1.154
   92   1HG2  VAL  19          1HG2      VAL  19  -3.277  -1.941  -1.565
   93   2HG2  VAL  19          2HG2      VAL  19  -5.017  -2.208  -1.465
   94   3HG2  VAL  19          3HG2      VAL  19  -4.127  -2.702  -2.908
   95    HA   PRO  20           HA       PRO  20  -4.977  -9.105  -0.698
   96   1HB   PRO  20          1HB       PRO  20  -2.425  -9.232  -2.243
   97   2HB   PRO  20          2HB       PRO  20  -3.748 -10.414  -2.164
   98   1HG   PRO  20          1HG       PRO  20  -3.457  -8.837  -4.283
   99   2HG   PRO  20          2HG       PRO  20  -5.071  -9.220  -3.645
  100   1HD   PRO  20          1HD       PRO  20  -3.490  -6.692  -3.408
  101   2HD   PRO  20          2HD       PRO  20  -5.246  -6.941  -3.534
  102    H    VAL  21           H        VAL  21  -4.281  -9.651   1.091
  103    HA   VAL  21           HA       VAL  21  -2.776  -8.092   2.785
  104    HB   VAL  21           HB       VAL  21  -4.453  -9.890   3.332
  105   1HG1  VAL  21          1HG1      VAL  21  -2.144 -11.771   3.115
  106   2HG1  VAL  21          2HG1      VAL  21  -3.616 -11.757   2.150
  107   3HG1  VAL  21          3HG1      VAL  21  -3.692 -12.139   3.873
  108   1HG2  VAL  21          1HG2      VAL  21  -3.290  -8.729   5.088
  109   2HG2  VAL  21          2HG2      VAL  21  -1.973  -9.925   5.033
  110   3HG2  VAL  21          3HG2      VAL  21  -3.622 -10.406   5.489
  111    H    TRP  22           H        TRP  22  -1.676 -10.805   0.859
  112    HA   TRP  22           HA       TRP  22   0.953 -10.859   1.919
  113   1HB   TRP  22          1HB       TRP  22   1.400 -12.412  -0.013
  114   2HB   TRP  22          2HB       TRP  22   0.085 -12.887   1.068
  115    HD1  TRP  22           HD1      TRP  22   0.607 -11.319  -2.426
  116    HE1  TRP  22           HE1      TRP  22  -1.429 -11.866  -3.862
  117    HE3  TRP  22           HE3      TRP  22  -2.263 -13.615   1.102
  118    HZ2  TRP  22           HZ2      TRP  22  -3.958 -13.132  -3.554
  119    HZ3  TRP  22           HZ3      TRP  22  -4.492 -14.472   0.433
  120    HH2  TRP  22           HH2      TRP  22  -5.293 -14.224  -1.839
  121    H    ASP  23           H        ASP  23  -0.473  -8.734  -0.320
  122    HA   ASP  23           HA       ASP  23   2.133  -8.093  -1.593
  123   1HB   ASP  23          1HB       ASP  23  -0.695  -7.301  -2.310
  124   2HB   ASP  23          2HB       ASP  23   0.746  -6.587  -3.045
  125    H    MET  24           H        MET  24   0.407  -7.334   1.014
  126    HA   MET  24           HA       MET  24   0.406  -4.599   1.030
  127   1HB   MET  24          1HB       MET  24   0.381  -6.537   3.236
  128   2HB   MET  24          2HB       MET  24   0.771  -4.852   3.635
  129   1HG   MET  24          1HG       MET  24  -1.674  -5.873   2.235
  130   2HG   MET  24          2HG       MET  24  -1.575  -5.142   3.854
  131   1HE   MET  24          1HE       MET  24  -3.430  -2.401   1.801
  132   2HE   MET  24          2HE       MET  24  -3.370  -3.298   3.320
  133   3HE   MET  24          3HE       MET  24  -3.591  -4.167   1.799
  134    HA   PRO  25           HA       PRO  25   4.961  -4.394   2.930
  135   1HB   PRO  25          1HB       PRO  25   5.867  -6.713   1.255
  136   2HB   PRO  25          2HB       PRO  25   6.540  -6.108   2.785
  137   1HG   PRO  25          1HG       PRO  25   5.043  -8.271   2.802
  138   2HG   PRO  25          2HG       PRO  25   4.804  -7.030   4.043
  139   1HD   PRO  25          1HD       PRO  25   3.130  -7.630   1.631
  140   2HD   PRO  25          2HD       PRO  25   2.641  -7.115   3.263
  141    H    GLU  26           H        GLU  26   4.651  -5.932  -0.225
  142    HA   GLU  26           HA       GLU  26   6.254  -4.344  -1.826
  143   1HB   GLU  26          1HB       GLU  26   3.848  -6.021  -2.253
  144   2HB   GLU  26          2HB       GLU  26   4.447  -5.163  -3.650
  145   1HG   GLU  26          1HG       GLU  26   5.276  -7.397  -3.666
  146   2HG   GLU  26          2HG       GLU  26   6.634  -6.339  -3.255
  147    H    HIS  27           H        HIS  27   2.780  -4.062  -1.418
  148    HA   HIS  27           HA       HIS  27   2.490  -1.754  -3.021
  149   1HB   HIS  27          1HB       HIS  27   0.754  -3.412  -2.666
  150   2HB   HIS  27          2HB       HIS  27   0.670  -2.998  -0.961
  151    HD1  HIS  27           HD1      HIS  27  -0.934  -2.145  -4.165
  152    HD2  HIS  27           HD2      HIS  27  -0.275  -0.347  -0.499
  153    HE1  HIS  27           HE1      HIS  27  -2.593  -0.247  -4.021
  154    H    MET  28           H        MET  28   2.680  -2.149   0.480
  155    HA   MET  28           HA       MET  28   2.301   0.607   0.926
  156   1HB   MET  28          1HB       MET  28   3.363  -1.539   2.739
  157   2HB   MET  28          2HB       MET  28   3.252   0.150   3.261
  158   1HG   MET  28          1HG       MET  28   0.969  -1.592   2.334
  159   2HG   MET  28          2HG       MET  28   1.323  -1.140   4.000
  160   1HE   MET  28          1HE       MET  28   0.627   2.680   4.061
  161   2HE   MET  28          2HE       MET  28   2.187   1.939   3.721
  162   3HE   MET  28          3HE       MET  28   1.139   1.254   4.965
  163    H    ASP  29           H        ASP  29   5.079  -1.284   0.170
  164    HA   ASP  29           HA       ASP  29   7.048   0.740   0.893
  165   1HB   ASP  29          1HB       ASP  29   7.610  -1.719   0.595
  166   2HB   ASP  29          2HB       ASP  29   7.274  -1.519  -1.128
  167    H    TYR  30           H        TYR  30   5.051   0.041  -1.824
  168    HA   TYR  30           HA       TYR  30   6.191   1.928  -3.603
  169   1HB   TYR  30          1HB       TYR  30   4.560   0.129  -4.267
  170   2HB   TYR  30          2HB       TYR  30   3.305   1.034  -3.420
  171    HD1  TYR  30           HD1      TYR  30   2.404   3.102  -4.403
  172    HD2  TYR  30           HD2      TYR  30   5.391   0.844  -6.403
  173    HE1  TYR  30           HE1      TYR  30   1.892   4.288  -6.496
  174    HE2  TYR  30           HE2      TYR  30   4.894   2.033  -8.487
  175    HH   TYR  30           HH       TYR  30   3.222   3.256  -9.519
  176    H    HIS  31           H        HIS  31   3.553   2.227  -1.196
  177    HA   HIS  31           HA       HIS  31   3.167   5.020  -1.771
  178   1HB   HIS  31          1HB       HIS  31   2.383   3.495   0.718
  179   2HB   HIS  31          2HB       HIS  31   2.188   5.242   0.592
  180    HD1  HIS  31           HD1      HIS  31   0.425   5.923  -1.529
  181    HD2  HIS  31           HD2      HIS  31   0.282   2.161   0.159
  182    HE1  HIS  31           HE1      HIS  31  -1.786   4.965  -2.226
  183    H    PHE  32           H        PHE  32   5.305   3.308   0.527
  184    HA   PHE  32           HA       PHE  32   6.080   5.531   1.977
  185   1HB   PHE  32          1HB       PHE  32   7.052   2.808   1.508
  186   2HB   PHE  32          2HB       PHE  32   8.286   3.955   2.029
  187    HD1  PHE  32           HD1      PHE  32   5.021   2.397   2.942
  188    HD2  PHE  32           HD2      PHE  32   8.369   4.669   4.278
  189    HE1  PHE  32           HE1      PHE  32   4.303   2.090   5.258
  190    HE2  PHE  32           HE2      PHE  32   7.640   4.369   6.606
  191    HZ   PHE  32           HZ       PHE  32   5.606   3.075   7.098
  192    H    ALA  33           H        ALA  33   7.635   4.022  -0.827
  193    HA   ALA  33           HA       ALA  33   9.666   5.950  -1.113
  194   1HB   ALA  33          1HB       ALA  33   9.717   3.776  -2.252
  195   2HB   ALA  33          2HB       ALA  33   9.931   5.100  -3.396
  196   3HB   ALA  33          3HB       ALA  33   8.375   4.279  -3.277
  197    H    LEU  34           H        LEU  34   6.430   5.743  -2.402
  198    HA   LEU  34           HA       LEU  34   6.533   7.954  -4.157
  199   1HB   LEU  34          1HB       LEU  34   4.795   6.175  -4.162
  200   2HB   LEU  34          2HB       LEU  34   4.136   6.880  -2.691
  201    HG   LEU  34           HG       LEU  34   3.562   8.921  -3.935
  202   1HD1  LEU  34          1HD1      LEU  34   5.309   8.823  -5.638
  203   2HD1  LEU  34          2HD1      LEU  34   3.713   8.935  -6.376
  204   3HD1  LEU  34          3HD1      LEU  34   4.559   7.388  -6.336
  205   1HD2  LEU  34          1HD2      LEU  34   2.552   6.373  -5.181
  206   2HD2  LEU  34          2HD2      LEU  34   1.761   7.951  -5.252
  207   3HD2  LEU  34          3HD2      LEU  34   1.942   7.121  -3.704
  208    H    GLU  35           H        GLU  35   5.626   7.689  -0.729
  209    HA   GLU  35           HA       GLU  35   4.871  10.435  -0.476
  210   1HB   GLU  35          1HB       GLU  35   5.535   8.376   1.621
  211   2HB   GLU  35          2HB       GLU  35   4.989  10.003   1.983
  212   1HG   GLU  35          1HG       GLU  35   2.890   9.469   0.732
  213   2HG   GLU  35          2HG       GLU  35   3.467   7.795   0.633
  214    H    LEU  36           H        LEU  36   7.847   8.656  -0.324
  215    HA   LEU  36           HA       LEU  36   9.219  10.614   1.246
  216   1HB   LEU  36          1HB       LEU  36   9.691   8.206   1.378
  217   2HB   LEU  36          2HB       LEU  36  10.073   8.192  -0.339
  218    HG   LEU  36           HG       LEU  36  12.071   9.449   0.065
  219   1HD1  LEU  36          1HD1      LEU  36  12.776   9.968   2.393
  220   2HD1  LEU  36          2HD1      LEU  36  11.203   9.422   2.977
  221   3HD1  LEU  36          3HD1      LEU  36  11.319  10.843   1.940
  222   1HD2  LEU  36          1HD2      LEU  36  13.291   7.802   1.405
  223   2HD2  LEU  36          2HD2      LEU  36  12.176   7.044   0.267
  224   3HD2  LEU  36          3HD2      LEU  36  11.757   7.149   1.978
  225    H    GLN  37           H        GLN  37   8.558   9.933  -2.047
  226    HA   GLN  37           HA       GLN  37  10.548  11.737  -3.079
  227   1HB   GLN  37          1HB       GLN  37   8.216  10.390  -4.432
  228   2HB   GLN  37          2HB       GLN  37   9.401  11.406  -5.259
  229   1HG   GLN  37          1HG       GLN  37   9.938   8.813  -3.837
  230   2HG   GLN  37          2HG       GLN  37   9.877   9.063  -5.587
  231   1HE2  GLN  37          1HE2      GLN  37  11.571  10.181  -6.584
  232   2HE2  GLN  37          2HE2      GLN  37  13.106  10.365  -5.788
  233    H    LYS  38           H        LYS  38   7.144  11.928  -2.250
  234    HA   LYS  38           HA       LYS  38   7.177  14.598  -3.387
  235   1HB   LYS  38          1HB       LYS  38   4.696  14.616  -3.283
  236   2HB   LYS  38          2HB       LYS  38   5.391  13.386  -4.331
  237   1HG   LYS  38          1HG       LYS  38   3.569  12.344  -3.309
  238   2HG   LYS  38          2HG       LYS  38   4.953  11.781  -2.367
  239   1HD   LYS  38          1HD       LYS  38   4.419  13.291  -0.587
  240   2HD   LYS  38          2HD       LYS  38   3.197  14.100  -1.563
  241   1HE   LYS  38          1HE       LYS  38   1.928  11.972  -1.654
  242   2HE   LYS  38          2HE       LYS  38   3.098  11.246  -0.566
  243   1HZ   LYS  38          1HZ       LYS  38   1.386  13.589   0.073
  244   2HZ   LYS  38          2HZ       LYS  38   2.470  12.866   1.135
  245   3HZ   LYS  38          3HZ       LYS  38   1.125  12.025   0.604
  246    H    SER  39           H        SER  39   7.111  13.190  -0.259
  247    HA   SER  39           HA       SER  39   7.145  15.876   0.792
  248   1HB   SER  39          1HB       SER  39   5.282  13.721   1.818
  249   2HB   SER  39          2HB       SER  39   5.544  15.285   2.589
  250    HG   SER  39           HG       SER  39   4.993  15.901   0.182
  Start of MODEL   12
    1    H    ALA   6           H        ALA   6 -12.217 -14.996   3.546
    2    HA   ALA   6           HA       ALA   6 -11.769 -13.612   1.842
    3   1HB   ALA   6          1HB       ALA   6 -13.515 -12.096   1.012
    4   2HB   ALA   6          2HB       ALA   6 -14.422 -12.329   2.508
    5   3HB   ALA   6          3HB       ALA   6 -14.175 -13.683   1.406
    6    H    GLU   7           H        GLU   7 -10.862 -13.065   4.464
    7    HA   GLU   7           HA       GLU   7 -10.649 -10.157   4.424
    8   1HB   GLU   7          1HB       GLU   7 -10.291 -12.164   6.613
    9   2HB   GLU   7          2HB       GLU   7  -9.662 -10.517   6.760
   10   1HG   GLU   7          1HG       GLU   7 -12.526 -11.361   6.384
   11   2HG   GLU   7          2HG       GLU   7 -11.784 -10.644   7.819
   12    H    ASP   8           H        ASP   8  -9.215 -12.252   2.834
   13    HA   ASP   8           HA       ASP   8  -6.450 -11.639   3.573
   14   1HB   ASP   8          1HB       ASP   8  -7.572 -13.523   1.488
   15   2HB   ASP   8          2HB       ASP   8  -5.850 -13.202   1.699
   16    H    GLN   9           H        GLN   9  -8.655 -10.067   2.224
   17    HA   GLN   9           HA       GLN   9  -6.719  -8.706   0.637
   18   1HB   GLN   9          1HB       GLN   9  -9.639  -9.007  -0.082
   19   2HB   GLN   9          2HB       GLN   9  -8.669  -7.691  -0.747
   20   1HG   GLN   9          1HG       GLN   9  -7.161  -9.371  -1.712
   21   2HG   GLN   9          2HG       GLN   9  -8.251 -10.644  -1.128
   22   1HE2  GLN   9          1HE2      GLN   9  -8.636 -11.326  -3.247
   23   2HE2  GLN   9          2HE2      GLN   9  -9.620 -10.408  -4.340
   24    H    VAL  10           H        VAL  10  -6.449  -6.741   1.525
   25    HA   VAL  10           HA       VAL  10  -8.591  -5.714   3.237
   26    HB   VAL  10           HB       VAL  10  -6.937  -4.755   4.797
   27   1HG1  VAL  10          1HG1      VAL  10  -6.599  -7.716   4.392
   28   2HG1  VAL  10          2HG1      VAL  10  -7.885  -6.915   5.297
   29   3HG1  VAL  10          3HG1      VAL  10  -6.217  -6.828   5.868
   30   1HG2  VAL  10          1HG2      VAL  10  -4.588  -5.452   4.714
   31   2HG2  VAL  10          2HG2      VAL  10  -5.042  -4.516   3.288
   32   3HG2  VAL  10          3HG2      VAL  10  -4.891  -6.269   3.181
   33    HA   PRO  11           HA       PRO  11  -8.191  -2.106   0.833
   34   1HB   PRO  11          1HB       PRO  11  -9.223  -0.313   2.478
   35   2HB   PRO  11          2HB       PRO  11 -10.257  -1.448   1.592
   36   1HG   PRO  11          1HG       PRO  11  -9.361  -1.533   4.449
   37   2HG   PRO  11          2HG       PRO  11 -10.942  -1.979   3.764
   38   1HD   PRO  11          1HD       PRO  11  -9.047  -3.803   4.446
   39   2HD   PRO  11          2HD       PRO  11 -10.199  -4.058   3.119
   40    H    CYS  12           H        CYS  12  -6.510  -0.915   0.589
   41    HA   CYS  12           HA       CYS  12  -4.544  -0.545   2.598
   42   1HB   CYS  12          1HB       CYS  12  -3.810  -0.723   0.379
   43   2HB   CYS  12          2HB       CYS  12  -4.956   0.502  -0.174
   44    H    GLU  13           H        GLU  13  -4.971   0.851   4.213
   45    HA   GLU  13           HA       GLU  13  -6.997   2.752   4.317
   46   1HB   GLU  13          1HB       GLU  13  -4.430   2.852   5.883
   47   2HB   GLU  13          2HB       GLU  13  -5.951   3.621   6.317
   48   1HG   GLU  13          1HG       GLU  13  -6.967   1.348   6.450
   49   2HG   GLU  13          2HG       GLU  13  -5.363   0.687   6.177
   50    H    LYS  14           H        LYS  14  -3.918   3.121   2.889
   51    HA   LYS  14           HA       LYS  14  -4.016   5.947   3.016
   52   1HB   LYS  14          1HB       LYS  14  -2.133   4.051   1.715
   53   2HB   LYS  14          2HB       LYS  14  -1.958   5.777   1.410
   54   1HG   LYS  14          1HG       LYS  14  -1.830   6.074   3.907
   55   2HG   LYS  14          2HG       LYS  14  -1.762   4.315   4.037
   56   1HD   LYS  14          1HD       LYS  14   0.254   4.240   2.761
   57   2HD   LYS  14          2HD       LYS  14   0.148   5.968   2.400
   58   1HE   LYS  14          1HE       LYS  14   0.317   6.393   4.868
   59   2HE   LYS  14          2HE       LYS  14   0.657   4.673   5.063
   60   1HZ   LYS  14          1HZ       LYS  14   2.661   4.914   3.773
   61   2HZ   LYS  14          2HZ       LYS  14   2.674   6.168   4.898
   62   3HZ   LYS  14          3HZ       LYS  14   2.207   6.457   3.311
   63    H    CYS  15           H        CYS  15  -5.041   3.659   0.806
   64    HA   CYS  15           HA       CYS  15  -5.819   5.860  -1.036
   65   1HB   CYS  15          1HB       CYS  15  -5.375   4.581  -3.080
   66   2HB   CYS  15          2HB       CYS  15  -3.924   4.807  -2.092
   67    H    GLY  16           H        GLY  16  -6.965   3.031   0.436
   68   1HA   GLY  16          1HA       GLY  16  -9.160   2.443   0.694
   69   2HA   GLY  16          2HA       GLY  16  -9.603   3.551  -0.610
   70    H    SER  17           H        SER  17  -7.135   1.784  -1.808
   71    HA   SER  17           HA       SER  17  -8.884   0.176  -3.427
   72   1HB   SER  17          1HB       SER  17  -5.876   0.323  -3.281
   73   2HB   SER  17          2HB       SER  17  -6.787  -0.394  -4.615
   74    HG   SER  17           HG       SER  17  -7.768   1.837  -4.718
   75    H    LEU  18           H        LEU  18  -8.963  -2.103  -3.387
   76    HA   LEU  18           HA       LEU  18  -8.239  -3.337  -0.864
   77   1HB   LEU  18          1HB       LEU  18  -9.625  -4.443  -3.299
   78   2HB   LEU  18          2HB       LEU  18  -9.407  -5.291  -1.768
   79    HG   LEU  18           HG       LEU  18 -10.979  -2.756  -2.120
   80   1HD1  LEU  18          1HD1      LEU  18 -11.899  -5.612  -1.808
   81   2HD1  LEU  18          2HD1      LEU  18 -12.052  -4.632  -3.263
   82   3HD1  LEU  18          3HD1      LEU  18 -12.956  -4.201  -1.808
   83   1HD2  LEU  18          1HD2      LEU  18 -11.832  -3.291   0.129
   84   2HD2  LEU  18          2HD2      LEU  18 -10.103  -2.967   0.103
   85   3HD2  LEU  18          3HD2      LEU  18 -10.681  -4.628   0.220
   86    H    VAL  19           H        VAL  19  -6.406  -4.119  -0.526
   87    HA   VAL  19           HA       VAL  19  -4.846  -5.120  -2.805
   88    HB   VAL  19           HB       VAL  19  -3.777  -4.072  -0.163
   89   1HG1  VAL  19          1HG1      VAL  19  -2.268  -5.628  -1.235
   90   2HG1  VAL  19          2HG1      VAL  19  -1.624  -3.987  -1.316
   91   3HG1  VAL  19          3HG1      VAL  19  -2.366  -4.716  -2.740
   92   1HG2  VAL  19          1HG2      VAL  19  -4.868  -2.273  -1.371
   93   2HG2  VAL  19          2HG2      VAL  19  -3.957  -2.679  -2.826
   94   3HG2  VAL  19          3HG2      VAL  19  -3.116  -2.065  -1.404
   95    HA   PRO  20           HA       PRO  20  -5.129  -9.145  -0.847
   96   1HB   PRO  20          1HB       PRO  20  -2.478  -9.549  -2.130
   97   2HB   PRO  20          2HB       PRO  20  -3.941 -10.548  -2.237
   98   1HG   PRO  20          1HG       PRO  20  -3.197  -9.035  -4.272
   99   2HG   PRO  20          2HG       PRO  20  -4.912  -9.172  -3.818
  100   1HD   PRO  20          1HD       PRO  20  -2.988  -6.941  -3.280
  101   2HD   PRO  20          2HD       PRO  20  -4.695  -6.876  -3.759
  102    H    VAL  21           H        VAL  21  -4.395  -9.920   0.936
  103    HA   VAL  21           HA       VAL  21  -2.917  -8.416   2.737
  104    HB   VAL  21           HB       VAL  21  -4.566 -10.260   3.232
  105   1HG1  VAL  21          1HG1      VAL  21  -2.227 -12.092   2.887
  106   2HG1  VAL  21          2HG1      VAL  21  -3.722 -12.061   1.952
  107   3HG1  VAL  21          3HG1      VAL  21  -3.756 -12.526   3.652
  108   1HG2  VAL  21          1HG2      VAL  21  -3.567 -10.914   5.375
  109   2HG2  VAL  21          2HG2      VAL  21  -3.469  -9.185   5.045
  110   3HG2  VAL  21          3HG2      VAL  21  -2.037 -10.202   4.856
  111    H    TRP  22           H        TRP  22  -1.771 -10.961   0.623
  112    HA   TRP  22           HA       TRP  22   0.862 -10.945   1.668
  113   1HB   TRP  22          1HB       TRP  22   1.418 -12.376  -0.322
  114   2HB   TRP  22          2HB       TRP  22   0.111 -12.969   0.705
  115    HD1  TRP  22           HD1      TRP  22   0.667 -11.349  -2.768
  116    HE1  TRP  22           HE1      TRP  22  -1.335 -11.974  -4.266
  117    HE3  TRP  22           HE3      TRP  22  -2.236 -13.708   0.691
  118    HZ2  TRP  22           HZ2      TRP  22  -3.807 -13.299  -4.019
  119    HZ3  TRP  22           HZ3      TRP  22  -4.421 -14.637  -0.040
  120    HH2  TRP  22           HH2      TRP  22  -5.160 -14.422  -2.346
  121    H    ASP  23           H        ASP  23  -0.695  -8.789  -0.615
  122    HA   ASP  23           HA       ASP  23   1.886  -8.000  -1.738
  123   1HB   ASP  23          1HB       ASP  23  -0.966  -7.474  -2.531
  124   2HB   ASP  23          2HB       ASP  23   0.308  -6.356  -3.025
  125    H    MET  24           H        MET  24  -0.078  -7.333   0.795
  126    HA   MET  24           HA       MET  24  -0.233  -4.604   0.870
  127   1HB   MET  24          1HB       MET  24  -0.167  -6.568   3.102
  128   2HB   MET  24          2HB       MET  24  -0.219  -4.832   3.440
  129   1HG   MET  24          1HG       MET  24  -2.191  -6.420   1.819
  130   2HG   MET  24          2HG       MET  24  -2.436  -5.788   3.458
  131   1HE   MET  24          1HE       MET  24  -2.470  -1.920   2.772
  132   2HE   MET  24          2HE       MET  24  -1.041  -2.874   3.171
  133   3HE   MET  24          3HE       MET  24  -2.571  -3.178   4.005
  134    HA   PRO  25           HA       PRO  25   4.010  -4.091   3.272
  135   1HB   PRO  25          1HB       PRO  25   5.417  -6.370   1.950
  136   2HB   PRO  25          2HB       PRO  25   5.645  -5.698   3.578
  137   1HG   PRO  25          1HG       PRO  25   4.375  -7.988   3.252
  138   2HG   PRO  25          2HG       PRO  25   3.795  -6.800   4.428
  139   1HD   PRO  25          1HD       PRO  25   2.707  -7.468   1.718
  140   2HD   PRO  25          2HD       PRO  25   1.851  -7.051   3.218
  141    H    GLU  26           H        GLU  26   4.135  -5.769   0.230
  142    HA   GLU  26           HA       GLU  26   5.954  -4.302  -1.322
  143   1HB   GLU  26          1HB       GLU  26   3.356  -5.527  -2.236
  144   2HB   GLU  26          2HB       GLU  26   4.801  -5.332  -3.219
  145   1HG   GLU  26          1HG       GLU  26   4.463  -7.173  -0.860
  146   2HG   GLU  26          2HG       GLU  26   4.452  -7.628  -2.568
  147    H    HIS  27           H        HIS  27   2.483  -3.931  -1.144
  148    HA   HIS  27           HA       HIS  27   2.353  -1.683  -2.825
  149   1HB   HIS  27          1HB       HIS  27   0.565  -3.258  -2.523
  150   2HB   HIS  27          2HB       HIS  27   0.408  -2.832  -0.822
  151    HD1  HIS  27           HD1      HIS  27  -1.004  -1.996  -4.104
  152    HD2  HIS  27           HD2      HIS  27  -0.483  -0.149  -0.452
  153    HE1  HIS  27           HE1      HIS  27  -2.609  -0.032  -4.083
  154    H    MET  28           H        MET  28   2.380  -1.987   0.691
  155    HA   MET  28           HA       MET  28   2.072   0.806   1.129
  156   1HB   MET  28          1HB       MET  28   3.291  -1.185   3.061
  157   2HB   MET  28          2HB       MET  28   2.762   0.447   3.422
  158   1HG   MET  28          1HG       MET  28   0.913  -1.709   2.439
  159   2HG   MET  28          2HG       MET  28   1.114  -1.241   4.126
  160   1HE   MET  28          1HE       MET  28   0.101   0.863   5.219
  161   2HE   MET  28          2HE       MET  28  -0.423   2.291   4.327
  162   3HE   MET  28          3HE       MET  28   1.266   1.790   4.281
  163    H    ASP  29           H        ASP  29   4.839  -1.172   0.406
  164    HA   ASP  29           HA       ASP  29   6.779   0.810   1.194
  165   1HB   ASP  29          1HB       ASP  29   7.333  -1.618   0.975
  166   2HB   ASP  29          2HB       ASP  29   7.033  -1.492  -0.763
  167    H    TYR  30           H        TYR  30   4.905   0.091  -1.626
  168    HA   TYR  30           HA       TYR  30   6.202   1.869  -3.410
  169   1HB   TYR  30          1HB       TYR  30   4.522   0.069  -4.022
  170   2HB   TYR  30          2HB       TYR  30   3.272   1.129  -3.364
  171    HD1  TYR  30           HD1      TYR  30   2.787   3.307  -4.530
  172    HD2  TYR  30           HD2      TYR  30   5.400   0.388  -6.166
  173    HE1  TYR  30           HE1      TYR  30   2.573   4.365  -6.737
  174    HE2  TYR  30           HE2      TYR  30   5.199   1.434  -8.374
  175    HH   TYR  30           HH       TYR  30   3.882   4.490  -8.806
  176    H    HIS  31           H        HIS  31   3.451   2.348  -1.178
  177    HA   HIS  31           HA       HIS  31   3.213   5.156  -1.846
  178   1HB   HIS  31          1HB       HIS  31   2.279   3.750   0.658
  179   2HB   HIS  31          2HB       HIS  31   2.127   5.488   0.431
  180    HD1  HIS  31           HD1      HIS  31   0.495   6.082  -1.812
  181    HD2  HIS  31           HD2      HIS  31   0.206   2.415   0.067
  182    HE1  HIS  31           HE1      HIS  31  -1.724   5.107  -2.537
  183    H    PHE  32           H        PHE  32   5.167   3.332   0.391
  184    HA   PHE  32           HA       PHE  32   5.916   5.384   2.127
  185   1HB   PHE  32          1HB       PHE  32   6.294   2.839   2.301
  186   2HB   PHE  32          2HB       PHE  32   7.698   3.107   1.260
  187    HD1  PHE  32           HD1      PHE  32   9.563   4.557   2.099
  188    HD2  PHE  32           HD2      PHE  32   6.338   3.281   4.558
  189    HE1  PHE  32           HE1      PHE  32  10.884   5.110   4.096
  190    HE2  PHE  32           HE2      PHE  32   7.653   3.844   6.573
  191    HZ   PHE  32           HZ       PHE  32   9.929   4.757   6.335
  192    H    ALA  33           H        ALA  33   7.474   4.070  -0.749
  193    HA   ALA  33           HA       ALA  33   9.564   5.948  -0.931
  194   1HB   ALA  33          1HB       ALA  33   8.238   4.391  -3.156
  195   2HB   ALA  33          2HB       ALA  33   9.586   3.825  -2.161
  196   3HB   ALA  33          3HB       ALA  33   9.802   5.196  -3.249
  197    H    LEU  34           H        LEU  34   6.424   5.820  -2.485
  198    HA   LEU  34           HA       LEU  34   6.553   8.147  -4.019
  199   1HB   LEU  34          1HB       LEU  34   4.851   6.343  -4.168
  200   2HB   LEU  34          2HB       LEU  34   4.117   6.974  -2.699
  201    HG   LEU  34           HG       LEU  34   3.507   9.034  -3.869
  202   1HD1  LEU  34          1HD1      LEU  34   5.353   9.147  -5.441
  203   2HD1  LEU  34          2HD1      LEU  34   3.810   9.208  -6.285
  204   3HD1  LEU  34          3HD1      LEU  34   4.748   7.712  -6.270
  205   1HD2  LEU  34          1HD2      LEU  34   1.966   7.115  -3.879
  206   2HD2  LEU  34          2HD2      LEU  34   2.688   6.562  -5.390
  207   3HD2  LEU  34          3HD2      LEU  34   1.821   8.095  -5.338
  208    H    GLU  35           H        GLU  35   5.624   7.743  -0.662
  209    HA   GLU  35           HA       GLU  35   4.951  10.512  -0.299
  210   1HB   GLU  35          1HB       GLU  35   5.091   8.187   1.594
  211   2HB   GLU  35          2HB       GLU  35   4.736   9.824   2.129
  212   1HG   GLU  35          1HG       GLU  35   2.754   9.898   0.821
  213   2HG   GLU  35          2HG       GLU  35   3.157   8.354   0.043
  214    H    LEU  36           H        LEU  36   7.816   8.579  -0.019
  215    HA   LEU  36           HA       LEU  36   9.176  10.456   1.705
  216   1HB   LEU  36          1HB       LEU  36   9.708   7.941   1.477
  217   2HB   LEU  36          2HB       LEU  36  10.308   8.303  -0.133
  218    HG   LEU  36           HG       LEU  36  12.082   7.918   1.556
  219   1HD1  LEU  36          1HD1      LEU  36  12.101  10.698   0.426
  220   2HD1  LEU  36          2HD1      LEU  36  12.649   9.227  -0.381
  221   3HD1  LEU  36          3HD1      LEU  36  13.502   9.821   1.043
  222   1HD2  LEU  36          1HD2      LEU  36  12.546   9.608   3.258
  223   2HD2  LEU  36          2HD2      LEU  36  10.984   8.831   3.509
  224   3HD2  LEU  36          3HD2      LEU  36  11.062  10.454   2.823
  225    H    GLN  37           H        GLN  37   8.689   9.819  -1.632
  226    HA   GLN  37           HA       GLN  37  10.338  11.982  -2.587
  227   1HB   GLN  37          1HB       GLN  37   8.162  10.398  -3.974
  228   2HB   GLN  37          2HB       GLN  37   9.301  11.488  -4.770
  229   1HG   GLN  37          1HG       GLN  37  10.092   9.011  -3.257
  230   2HG   GLN  37          2HG       GLN  37   9.809   9.064  -5.001
  231   1HE2  GLN  37          1HE2      GLN  37  11.872   8.392  -5.362
  232   2HE2  GLN  37          2HE2      GLN  37  13.258   9.430  -5.203
  233    H    LYS  38           H        LYS  38   7.457  11.722  -1.085
  234    HA   LYS  38           HA       LYS  38   5.759  12.946  -0.408
  235   1HB   LYS  38          1HB       LYS  38   5.923  15.301  -0.082
  236   2HB   LYS  38          2HB       LYS  38   7.537  14.616   0.134
  237   1HG   LYS  38          1HG       LYS  38   8.239  15.439  -1.980
  238   2HG   LYS  38          2HG       LYS  38   6.583  15.909  -2.395
  239   1HD   LYS  38          1HD       LYS  38   6.635  17.535  -0.549
  240   2HD   LYS  38          2HD       LYS  38   8.317  17.101  -0.239
  241   1HE   LYS  38          1HE       LYS  38   8.148  19.133  -1.613
  242   2HE   LYS  38          2HE       LYS  38   8.936  17.816  -2.481
  243   1HZ   LYS  38          1HZ       LYS  38   7.308  19.031  -3.827
  244   2HZ   LYS  38          2HZ       LYS  38   6.068  18.550  -2.790
  245   3HZ   LYS  38          3HZ       LYS  38   6.917  17.407  -3.684
  246    H    SER  39           H        SER  39   6.461  13.159  -3.698
  247    HA   SER  39           HA       SER  39   5.271  13.533  -5.557
  248   1HB   SER  39          1HB       SER  39   2.828  13.384  -3.748
  249   2HB   SER  39          2HB       SER  39   2.826  13.218  -5.507
  250    HG   SER  39           HG       SER  39   4.604  11.534  -4.420
  Start of MODEL   13
    1    H    ALA   6           H        ALA   6 -12.328  -8.461   4.726
    2    HA   ALA   6           HA       ALA   6 -13.547 -10.400   3.084
    3   1HB   ALA   6          1HB       ALA   6 -12.924  -8.854   1.295
    4   2HB   ALA   6          2HB       ALA   6 -11.754 -10.183   1.312
    5   3HB   ALA   6          3HB       ALA   6 -11.344  -8.623   2.036
    6    H    GLU   7           H        GLU   7 -11.578 -12.039   2.698
    7    HA   GLU   7           HA       GLU   7 -10.419 -12.228   5.341
    8   1HB   GLU   7          1HB       GLU   7 -10.411 -14.216   3.081
    9   2HB   GLU   7          2HB       GLU   7  -9.808 -14.507   4.722
   10   1HG   GLU   7          1HG       GLU   7 -12.010 -14.199   5.629
   11   2HG   GLU   7          2HG       GLU   7 -12.648 -13.787   4.043
   12    H    ASP   8           H        ASP   8  -9.228 -12.293   2.100
   13    HA   ASP   8           HA       ASP   8  -6.474 -11.631   3.135
   14   1HB   ASP   8          1HB       ASP   8  -7.109 -13.171   0.609
   15   2HB   ASP   8          2HB       ASP   8  -5.517 -12.776   1.232
   16    H    GLN   9           H        GLN   9  -8.798 -10.015   2.202
   17    HA   GLN   9           HA       GLN   9  -7.136  -8.440   0.426
   18   1HB   GLN   9          1HB       GLN   9 -10.167  -8.467   0.488
   19   2HB   GLN   9          2HB       GLN   9  -9.185  -7.385  -0.499
   20   1HG   GLN   9          1HG       GLN   9  -8.325  -9.303  -1.709
   21   2HG   GLN   9          2HG       GLN   9  -9.329 -10.378  -0.715
   22   1HE2  GLN   9          1HE2      GLN   9  -9.300  -8.019  -3.234
   23   2HE2  GLN   9          2HE2      GLN   9 -10.942  -8.256  -3.759
   24    H    VAL  10           H        VAL  10  -6.501  -6.576   1.599
   25    HA   VAL  10           HA       VAL  10  -8.371  -5.629   3.614
   26    HB   VAL  10           HB       VAL  10  -6.390  -4.829   4.954
   27   1HG1  VAL  10          1HG1      VAL  10  -7.532  -6.884   5.597
   28   2HG1  VAL  10          2HG1      VAL  10  -5.799  -7.029   5.885
   29   3HG1  VAL  10          3HG1      VAL  10  -6.526  -7.807   4.481
   30   1HG2  VAL  10          1HG2      VAL  10  -4.712  -4.815   3.179
   31   2HG2  VAL  10          2HG2      VAL  10  -4.816  -6.572   3.054
   32   3HG2  VAL  10          3HG2      VAL  10  -4.192  -5.829   4.526
   33    HA   PRO  11           HA       PRO  11  -8.181  -1.989   1.176
   34   1HB   PRO  11          1HB       PRO  11  -9.273  -0.291   2.972
   35   2HB   PRO  11          2HB       PRO  11 -10.234  -1.260   1.848
   36   1HG   PRO  11          1HG       PRO  11  -9.753  -1.629   4.755
   37   2HG   PRO  11          2HG       PRO  11 -11.118  -2.193   3.768
   38   1HD   PRO  11          1HD       PRO  11  -9.056  -3.792   4.697
   39   2HD   PRO  11          2HD       PRO  11 -10.094  -4.181   3.314
   40    H    CYS  12           H        CYS  12  -6.549  -0.860   0.913
   41    HA   CYS  12           HA       CYS  12  -4.574  -0.308   2.890
   42   1HB   CYS  12          1HB       CYS  12  -3.995  -0.814   0.644
   43   2HB   CYS  12          2HB       CYS  12  -4.977   0.521   0.035
   44    H    GLU  13           H        GLU  13  -4.943   1.243   4.310
   45    HA   GLU  13           HA       GLU  13  -6.886   3.248   4.253
   46   1HB   GLU  13          1HB       GLU  13  -4.271   3.447   5.742
   47   2HB   GLU  13          2HB       GLU  13  -5.795   4.210   6.154
   48   1HG   GLU  13          1HG       GLU  13  -5.815   2.513   7.645
   49   2HG   GLU  13          2HG       GLU  13  -6.598   1.708   6.291
   50    H    LYS  14           H        LYS  14  -3.698   3.269   2.965
   51    HA   LYS  14           HA       LYS  14  -3.681   6.058   2.672
   52   1HB   LYS  14          1HB       LYS  14  -1.812   3.939   1.769
   53   2HB   LYS  14          2HB       LYS  14  -1.568   5.566   1.148
   54   1HG   LYS  14          1HG       LYS  14  -1.379   6.376   3.457
   55   2HG   LYS  14          2HG       LYS  14  -1.588   4.722   4.032
   56   1HD   LYS  14          1HD       LYS  14   0.393   4.011   2.901
   57   2HD   LYS  14          2HD       LYS  14   0.563   5.591   2.130
   58   1HE   LYS  14          1HE       LYS  14   0.650   5.195   5.112
   59   2HE   LYS  14          2HE       LYS  14   2.096   5.214   4.101
   60   1HZ   LYS  14          1HZ       LYS  14   0.152   7.454   4.411
   61   2HZ   LYS  14          2HZ       LYS  14   1.464   7.442   3.366
   62   3HZ   LYS  14          3HZ       LYS  14   1.726   7.396   5.032
   63    H    CYS  15           H        CYS  15  -5.170   3.796   0.935
   64    HA   CYS  15           HA       CYS  15  -5.612   5.697  -1.254
   65   1HB   CYS  15          1HB       CYS  15  -5.221   4.228  -3.174
   66   2HB   CYS  15          2HB       CYS  15  -3.772   4.488  -2.195
   67    H    GLY  16           H        GLY  16  -6.983   3.057   0.415
   68   1HA   GLY  16          1HA       GLY  16  -9.151   2.490   0.580
   69   2HA   GLY  16          2HA       GLY  16  -9.560   3.609  -0.721
   70    H    SER  17           H        SER  17  -7.090   1.622  -1.698
   71    HA   SER  17           HA       SER  17  -8.853  -0.074  -3.243
   72   1HB   SER  17          1HB       SER  17  -5.841   0.007  -3.067
   73   2HB   SER  17          2HB       SER  17  -6.782  -0.768  -4.348
   74    HG   SER  17           HG       SER  17  -7.703   1.518  -4.500
   75    H    LEU  18           H        LEU  18  -8.988  -2.332  -2.991
   76    HA   LEU  18           HA       LEU  18  -8.265  -3.366  -0.393
   77   1HB   LEU  18          1HB       LEU  18  -9.651  -4.629  -2.752
   78   2HB   LEU  18          2HB       LEU  18  -9.382  -5.424  -1.202
   79    HG   LEU  18           HG       LEU  18 -11.043  -2.933  -1.566
   80   1HD1  LEU  18          1HD1      LEU  18 -11.860  -5.820  -1.247
   81   2HD1  LEU  18          2HD1      LEU  18 -12.078  -4.837  -2.701
   82   3HD1  LEU  18          3HD1      LEU  18 -12.955  -4.441  -1.220
   83   1HD2  LEU  18          1HD2      LEU  18 -10.718  -4.831   0.751
   84   2HD2  LEU  18          2HD2      LEU  18 -11.849  -3.483   0.683
   85   3HD2  LEU  18          3HD2      LEU  18 -10.113  -3.178   0.667
   86    H    VAL  19           H        VAL  19  -6.323  -3.852  -0.169
   87    HA   VAL  19           HA       VAL  19  -4.724  -4.801  -2.408
   88    HB   VAL  19           HB       VAL  19  -3.836  -4.124   0.403
   89   1HG1  VAL  19          1HG1      VAL  19  -2.214  -4.550  -2.100
   90   2HG1  VAL  19          2HG1      VAL  19  -2.239  -5.599  -0.680
   91   3HG1  VAL  19          3HG1      VAL  19  -1.590  -3.960  -0.563
   92   1HG2  VAL  19          1HG2      VAL  19  -4.767  -2.202  -0.691
   93   2HG2  VAL  19          2HG2      VAL  19  -3.785  -2.508  -2.120
   94   3HG2  VAL  19          3HG2      VAL  19  -3.009  -2.045  -0.608
   95    HA   PRO  20           HA       PRO  20  -4.996  -9.034  -1.075
   96   1HB   PRO  20          1HB       PRO  20  -2.487  -9.408  -2.572
   97   2HB   PRO  20          2HB       PRO  20  -4.067 -10.160  -2.850
   98   1HG   PRO  20          1HG       PRO  20  -3.010  -8.277  -4.495
   99   2HG   PRO  20          2HG       PRO  20  -4.757  -8.493  -4.246
  100   1HD   PRO  20          1HD       PRO  20  -2.932  -6.403  -3.165
  101   2HD   PRO  20          2HD       PRO  20  -4.643  -6.317  -3.645
  102    H    VAL  21           H        VAL  21  -4.273  -9.767   0.745
  103    HA   VAL  21           HA       VAL  21  -2.567  -8.471   2.451
  104    HB   VAL  21           HB       VAL  21  -4.271 -10.152   3.104
  105   1HG1  VAL  21          1HG1      VAL  21  -3.796 -12.517   3.128
  106   2HG1  VAL  21          2HG1      VAL  21  -2.237 -12.219   2.366
  107   3HG1  VAL  21          3HG1      VAL  21  -3.720 -11.871   1.486
  108   1HG2  VAL  21          1HG2      VAL  21  -1.558 -10.671   4.287
  109   2HG2  VAL  21          2HG2      VAL  21  -3.114 -11.154   4.978
  110   3HG2  VAL  21          3HG2      VAL  21  -2.725  -9.437   4.805
  111    H    TRP  22           H        TRP  22  -1.573 -11.095   0.328
  112    HA   TRP  22           HA       TRP  22   1.013 -11.340   1.370
  113   1HB   TRP  22          1HB       TRP  22   1.466 -12.467  -0.928
  114   2HB   TRP  22          2HB       TRP  22   0.322 -13.201   0.205
  115    HD1  TRP  22           HD1      TRP  22   0.357 -11.170  -3.083
  116    HE1  TRP  22           HE1      TRP  22  -1.866 -11.600  -4.300
  117    HE3  TRP  22           HE3      TRP  22  -1.991 -13.948   0.482
  118    HZ2  TRP  22           HZ2      TRP  22  -4.307 -12.955  -3.809
  119    HZ3  TRP  22           HZ3      TRP  22  -4.275 -14.772   0.027
  120    HH2  TRP  22           HH2      TRP  22  -5.387 -14.276  -2.073
  121    H    ASP  23           H        ASP  23  -0.213  -9.012  -0.966
  122    HA   ASP  23           HA       ASP  23   2.567  -8.154  -1.426
  123   1HB   ASP  23          1HB       ASP  23   0.076  -7.774  -3.073
  124   2HB   ASP  23          2HB       ASP  23   1.488  -6.722  -3.271
  125    H    MET  24           H        MET  24   0.235  -7.600   0.614
  126    HA   MET  24           HA       MET  24  -0.247  -4.892   0.687
  127   1HB   MET  24          1HB       MET  24  -0.818  -6.996   2.337
  128   2HB   MET  24          2HB       MET  24   0.244  -5.998   3.341
  129   1HG   MET  24          1HG       MET  24  -2.281  -5.115   1.978
  130   2HG   MET  24          2HG       MET  24  -2.050  -5.404   3.709
  131   1HE   MET  24          1HE       MET  24  -2.556  -1.518   3.243
  132   2HE   MET  24          2HE       MET  24  -3.247  -3.023   3.881
  133   3HE   MET  24          3HE       MET  24  -3.164  -2.755   2.138
  134    HA   PRO  25           HA       PRO  25   3.736  -4.033   3.376
  135   1HB   PRO  25          1HB       PRO  25   5.844  -5.754   2.870
  136   2HB   PRO  25          2HB       PRO  25   4.789  -5.858   4.292
  137   1HG   PRO  25          1HG       PRO  25   4.726  -7.425   1.751
  138   2HG   PRO  25          2HG       PRO  25   4.428  -7.965   3.409
  139   1HD   PRO  25          1HD       PRO  25   2.433  -7.506   1.660
  140   2HD   PRO  25          2HD       PRO  25   2.236  -7.190   3.396
  141    H    GLU  26           H        GLU  26   4.300  -5.767   0.388
  142    HA   GLU  26           HA       GLU  26   6.235  -4.212  -0.867
  143   1HB   GLU  26          1HB       GLU  26   3.921  -5.812  -1.924
  144   2HB   GLU  26          2HB       GLU  26   5.230  -5.250  -2.953
  145   1HG   GLU  26          1HG       GLU  26   5.441  -7.159  -0.634
  146   2HG   GLU  26          2HG       GLU  26   5.530  -7.567  -2.357
  147    H    HIS  27           H        HIS  27   2.748  -4.043  -1.083
  148    HA   HIS  27           HA       HIS  27   2.564  -1.777  -2.776
  149   1HB   HIS  27          1HB       HIS  27   0.830  -3.428  -2.498
  150   2HB   HIS  27          2HB       HIS  27   0.644  -3.015  -0.802
  151    HD1  HIS  27           HD1      HIS  27  -0.939  -2.323  -3.993
  152    HD2  HIS  27           HD2      HIS  27  -0.257  -0.293  -0.469
  153    HE1  HIS  27           HE1      HIS  27  -2.605  -0.409  -3.964
  154    H    MET  28           H        MET  28   2.452  -2.091   0.748
  155    HA   MET  28           HA       MET  28   2.021   0.636   1.181
  156   1HB   MET  28          1HB       MET  28   3.120  -1.509   2.948
  157   2HB   MET  28          2HB       MET  28   3.122   0.172   3.498
  158   1HG   MET  28          1HG       MET  28   0.700  -1.378   2.607
  159   2HG   MET  28          2HG       MET  28   1.176  -1.092   4.281
  160   1HE   MET  28          1HE       MET  28   0.735   2.718   4.744
  161   2HE   MET  28          2HE       MET  28   2.221   1.882   4.310
  162   3HE   MET  28          3HE       MET  28   1.128   1.174   5.505
  163    H    ASP  29           H        ASP  29   4.904  -1.183   0.645
  164    HA   ASP  29           HA       ASP  29   6.793   0.899   1.289
  165   1HB   ASP  29          1HB       ASP  29   7.588  -1.373   1.219
  166   2HB   ASP  29          2HB       ASP  29   7.010  -1.573  -0.442
  167    H    TYR  30           H        TYR  30   5.016   0.035  -1.597
  168    HA   TYR  30           HA       TYR  30   6.393   1.822  -3.254
  169   1HB   TYR  30          1HB       TYR  30   4.879   0.107  -4.200
  170   2HB   TYR  30          2HB       TYR  30   3.495   0.963  -3.495
  171    HD1  TYR  30           HD1      TYR  30   2.513   2.773  -4.615
  172    HD2  TYR  30           HD2      TYR  30   6.249   1.298  -5.955
  173    HE1  TYR  30           HE1      TYR  30   2.374   4.248  -6.589
  174    HE2  TYR  30           HE2      TYR  30   6.127   2.756  -7.931
  175    HH   TYR  30           HH       TYR  30   4.328   3.849  -9.248
  176    H    HIS  31           H        HIS  31   3.563   2.231  -1.165
  177    HA   HIS  31           HA       HIS  31   3.185   5.015  -1.818
  178   1HB   HIS  31          1HB       HIS  31   2.399   3.548   0.694
  179   2HB   HIS  31          2HB       HIS  31   2.175   5.285   0.491
  180    HD1  HIS  31           HD1      HIS  31   0.463   5.908  -1.585
  181    HD2  HIS  31           HD2      HIS  31   0.414   2.074  -0.062
  182    HE1  HIS  31           HE1      HIS  31  -1.763   4.958  -2.259
  183    H    PHE  32           H        PHE  32   5.216   3.404   0.608
  184    HA   PHE  32           HA       PHE  32   5.965   5.699   1.891
  185   1HB   PHE  32          1HB       PHE  32   7.081   2.978   1.551
  186   2HB   PHE  32          2HB       PHE  32   8.082   4.170   2.360
  187    HD1  PHE  32           HD1      PHE  32   6.176   1.496   3.070
  188    HD2  PHE  32           HD2      PHE  32   6.270   5.641   4.034
  189    HE1  PHE  32           HE1      PHE  32   4.923   1.045   5.124
  190    HE2  PHE  32           HE2      PHE  32   5.014   5.187   6.098
  191    HZ   PHE  32           HZ       PHE  32   4.340   2.888   6.646
  192    H    ALA  33           H        ALA  33   7.538   4.002  -0.818
  193    HA   ALA  33           HA       ALA  33   9.591   5.849  -1.099
  194   1HB   ALA  33          1HB       ALA  33   9.699   3.623  -2.099
  195   2HB   ALA  33          2HB       ALA  33   9.963   4.857  -3.328
  196   3HB   ALA  33          3HB       ALA  33   8.401   4.045  -3.216
  197    H    LEU  34           H        LEU  34   6.410   5.594  -2.593
  198    HA   LEU  34           HA       LEU  34   6.556   7.673  -4.472
  199   1HB   LEU  34          1HB       LEU  34   4.844   5.915  -4.430
  200   2HB   LEU  34          2HB       LEU  34   4.169   6.629  -2.967
  201    HG   LEU  34           HG       LEU  34   3.599   8.648  -4.278
  202   1HD1  LEU  34          1HD1      LEU  34   3.655   8.517  -6.713
  203   2HD1  LEU  34          2HD1      LEU  34   4.490   6.968  -6.611
  204   3HD1  LEU  34          3HD1      LEU  34   5.279   8.435  -6.030
  205   1HD2  LEU  34          1HD2      LEU  34   1.980   6.880  -3.883
  206   2HD2  LEU  34          2HD2      LEU  34   2.515   6.056  -5.344
  207   3HD2  LEU  34          3HD2      LEU  34   1.736   7.636  -5.457
  208    H    GLU  35           H        GLU  35   5.483   7.659  -1.104
  209    HA   GLU  35           HA       GLU  35   4.839  10.436  -1.094
  210   1HB   GLU  35          1HB       GLU  35   5.119   8.392   1.106
  211   2HB   GLU  35          2HB       GLU  35   4.718  10.078   1.408
  212   1HG   GLU  35          1HG       GLU  35   2.687   9.867   0.106
  213   2HG   GLU  35          2HG       GLU  35   3.114   8.200  -0.316
  214    H    LEU  36           H        LEU  36   7.777   8.602  -0.749
  215    HA   LEU  36           HA       LEU  36   9.108  10.689   0.658
  216   1HB   LEU  36          1HB       LEU  36   9.637   8.337   1.036
  217   2HB   LEU  36          2HB       LEU  36  10.007   8.132  -0.673
  218    HG   LEU  36           HG       LEU  36  11.974   9.488  -0.433
  219   1HD1  LEU  36          1HD1      LEU  36  11.216  11.038   1.309
  220   2HD1  LEU  36          2HD1      LEU  36  12.713  10.250   1.815
  221   3HD1  LEU  36          3HD1      LEU  36  11.169   9.718   2.478
  222   1HD2  LEU  36          1HD2      LEU  36  12.162   7.107  -0.012
  223   2HD2  LEU  36          2HD2      LEU  36  11.772   7.358   1.689
  224   3HD2  LEU  36          3HD2      LEU  36  13.271   8.004   1.025
  225    H    GLN  37           H        GLN  37   8.096  10.027  -2.496
  226    HA   GLN  37           HA       GLN  37  10.304  11.109  -3.943
  227   1HB   GLN  37          1HB       GLN  37   7.493  10.537  -4.882
  228   2HB   GLN  37          2HB       GLN  37   8.789  11.126  -5.927
  229   1HG   GLN  37          1HG       GLN  37   8.596   8.476  -4.522
  230   2HG   GLN  37          2HG       GLN  37   8.581   8.789  -6.266
  231   1HE2  GLN  37          1HE2      GLN  37  10.455   8.395  -3.458
  232   2HE2  GLN  37          2HE2      GLN  37  12.029   8.414  -4.204
  233    H    LYS  38           H        LYS  38   8.138  12.650  -2.047
  234    HA   LYS  38           HA       LYS  38   7.961  15.000  -3.720
  235   1HB   LYS  38          1HB       LYS  38   6.832  16.101  -1.810
  236   2HB   LYS  38          2HB       LYS  38   6.057  14.584  -2.272
  237   1HG   LYS  38          1HG       LYS  38   7.026  13.482  -0.352
  238   2HG   LYS  38          2HG       LYS  38   7.930  14.951   0.062
  239   1HD   LYS  38          1HD       LYS  38   5.855  16.155   0.425
  240   2HD   LYS  38          2HD       LYS  38   4.917  14.751  -0.070
  241   1HE   LYS  38          1HE       LYS  38   6.771  14.846   2.308
  242   2HE   LYS  38          2HE       LYS  38   5.025  15.078   2.386
  243   1HZ   LYS  38          1HZ       LYS  38   6.384  12.584   1.454
  244   2HZ   LYS  38          2HZ       LYS  38   4.723  12.823   1.576
  245   3HZ   LYS  38          3HZ       LYS  38   5.672  12.819   2.963
  246    H    SER  39           H        SER  39  10.285  13.637  -1.821
  247    HA   SER  39           HA       SER  39  11.536  16.199  -1.217
  248   1HB   SER  39          1HB       SER  39  12.072  13.456  -0.051
  249   2HB   SER  39          2HB       SER  39  12.769  14.988   0.496
  250    HG   SER  39           HG       SER  39  10.269  15.445   0.515
  Start of MODEL   14
    1    H    ALA   6           H        ALA   6  -8.082 -14.125  -3.354
    2    HA   ALA   6           HA       ALA   6  -9.066 -16.583  -2.269
    3   1HB   ALA   6          1HB       ALA   6  -7.456 -16.532  -0.398
    4   2HB   ALA   6          2HB       ALA   6  -6.603 -15.199  -1.155
    5   3HB   ALA   6          3HB       ALA   6  -6.605 -16.790  -1.925
    6    H    GLU   7           H        GLU   7  -9.892 -15.994   0.010
    7    HA   GLU   7           HA       GLU   7 -11.054 -13.338  -0.195
    8   1HB   GLU   7          1HB       GLU   7 -11.606 -15.562   1.796
    9   2HB   GLU   7          2HB       GLU   7 -12.558 -14.086   1.594
   10   1HG   GLU   7          1HG       GLU   7 -13.087 -14.811  -0.714
   11   2HG   GLU   7          2HG       GLU   7 -12.237 -16.318  -0.392
   12    H    ASP   8           H        ASP   8  -8.579 -12.915   0.179
   13    HA   ASP   8           HA       ASP   8  -8.173 -12.118   2.975
   14   1HB   ASP   8          1HB       ASP   8  -6.225 -13.783   1.374
   15   2HB   ASP   8          2HB       ASP   8  -5.770 -12.826   2.789
   16    H    GLN   9           H        GLN   9  -8.909 -10.145   1.815
   17    HA   GLN   9           HA       GLN   9  -6.487  -8.819   0.961
   18   1HB   GLN   9          1HB       GLN   9  -9.289  -8.261  -0.062
   19   2HB   GLN   9          2HB       GLN   9  -7.848  -7.314  -0.439
   20   1HG   GLN   9          1HG       GLN   9  -6.924  -9.445  -1.457
   21   2HG   GLN   9          2HG       GLN   9  -8.563 -10.085  -1.299
   22   1HE2  GLN   9          1HE2      GLN   9  -6.908  -9.465  -3.611
   23   2HE2  GLN   9          2HE2      GLN   9  -7.822  -8.387  -4.613
   24    H    VAL  10           H        VAL  10  -6.487  -6.558   1.573
   25    HA   VAL  10           HA       VAL  10  -8.437  -5.836   3.606
   26    HB   VAL  10           HB       VAL  10  -6.617  -4.825   5.002
   27   1HG1  VAL  10          1HG1      VAL  10  -5.776  -6.904   6.002
   28   2HG1  VAL  10          2HG1      VAL  10  -6.334  -7.794   4.583
   29   3HG1  VAL  10          3HG1      VAL  10  -7.500  -6.996   5.635
   30   1HG2  VAL  10          1HG2      VAL  10  -4.755  -6.351   3.179
   31   2HG2  VAL  10          2HG2      VAL  10  -4.283  -5.529   4.667
   32   3HG2  VAL  10          3HG2      VAL  10  -4.887  -4.596   3.297
   33    HA   PRO  11           HA       PRO  11  -8.312  -2.167   1.145
   34   1HB   PRO  11          1HB       PRO  11  -9.371  -0.444   2.929
   35   2HB   PRO  11          2HB       PRO  11 -10.365  -1.452   1.870
   36   1HG   PRO  11          1HG       PRO  11  -9.757  -1.742   4.775
   37   2HG   PRO  11          2HG       PRO  11 -11.167  -2.326   3.864
   38   1HD   PRO  11          1HD       PRO  11  -9.076  -3.913   4.741
   39   2HD   PRO  11          2HD       PRO  11 -10.165  -4.323   3.404
   40    H    CYS  12           H        CYS  12  -6.629  -0.970   0.847
   41    HA   CYS  12           HA       CYS  12  -4.691  -0.474   2.850
   42   1HB   CYS  12          1HB       CYS  12  -3.996  -0.918   0.643
   43   2HB   CYS  12          2HB       CYS  12  -5.050   0.339  -0.011
   44    H    GLU  13           H        GLU  13  -5.089   1.067   4.280
   45    HA   GLU  13           HA       GLU  13  -7.011   3.095   4.373
   46   1HB   GLU  13          1HB       GLU  13  -4.270   3.215   5.604
   47   2HB   GLU  13          2HB       GLU  13  -5.688   4.112   6.111
   48   1HG   GLU  13          1HG       GLU  13  -6.767   2.090   6.830
   49   2HG   GLU  13          2HG       GLU  13  -5.432   1.120   6.205
   50    H    LYS  14           H        LYS  14  -3.908   3.229   2.880
   51    HA   LYS  14           HA       LYS  14  -4.038   6.033   2.688
   52   1HB   LYS  14          1HB       LYS  14  -2.005   4.077   1.832
   53   2HB   LYS  14          2HB       LYS  14  -1.864   5.694   1.154
   54   1HG   LYS  14          1HG       LYS  14  -1.951   6.525   3.551
   55   2HG   LYS  14          2HG       LYS  14  -1.779   4.836   4.042
   56   1HD   LYS  14          1HD       LYS  14   0.334   4.667   2.929
   57   2HD   LYS  14          2HD       LYS  14   0.129   6.272   2.211
   58   1HE   LYS  14          1HE       LYS  14   0.090   7.204   4.535
   59   2HE   LYS  14          2HE       LYS  14   0.526   5.600   5.116
   60   1HZ   LYS  14          1HZ       LYS  14   2.594   5.714   3.967
   61   2HZ   LYS  14          2HZ       LYS  14   2.411   7.200   4.754
   62   3HZ   LYS  14          3HZ       LYS  14   2.103   7.079   3.110
   63    H    CYS  15           H        CYS  15  -5.380   3.776   0.889
   64    HA   CYS  15           HA       CYS  15  -5.886   5.718  -1.261
   65   1HB   CYS  15          1HB       CYS  15  -5.492   4.214  -3.153
   66   2HB   CYS  15          2HB       CYS  15  -4.038   4.512  -2.188
   67    H    GLY  16           H        GLY  16  -7.130   3.026   0.465
   68   1HA   GLY  16          1HA       GLY  16  -9.281   2.426   0.722
   69   2HA   GLY  16          2HA       GLY  16  -9.764   3.467  -0.619
   70    H    SER  17           H        SER  17  -7.219   1.631  -1.625
   71    HA   SER  17           HA       SER  17  -8.950  -0.025  -3.218
   72   1HB   SER  17          1HB       SER  17  -5.941   0.099  -3.068
   73   2HB   SER  17          2HB       SER  17  -6.884  -0.626  -4.379
   74    HG   SER  17           HG       SER  17  -7.831   1.732  -4.301
   75    H    LEU  18           H        LEU  18  -9.195  -2.214  -2.993
   76    HA   LEU  18           HA       LEU  18  -8.434  -3.437  -0.509
   77   1HB   LEU  18          1HB       LEU  18  -9.841  -4.504  -2.938
   78   2HB   LEU  18          2HB       LEU  18  -9.629  -5.398  -1.434
   79    HG   LEU  18           HG       LEU  18 -11.169  -2.807  -1.649
   80   1HD1  LEU  18          1HD1      LEU  18 -13.161  -4.171  -1.475
   81   2HD1  LEU  18          2HD1      LEU  18 -12.178  -5.634  -1.509
   82   3HD1  LEU  18          3HD1      LEU  18 -12.252  -4.587  -2.930
   83   1HD2  LEU  18          1HD2      LEU  18 -12.015  -3.453   0.552
   84   2HD2  LEU  18          2HD2      LEU  18 -10.266  -3.257   0.567
   85   3HD2  LEU  18          3HD2      LEU  18 -10.971  -4.872   0.536
   86    H    VAL  19           H        VAL  19  -6.512  -4.020  -0.276
   87    HA   VAL  19           HA       VAL  19  -4.938  -4.981  -2.560
   88    HB   VAL  19           HB       VAL  19  -3.980  -4.116   0.171
   89   1HG1  VAL  19          1HG1      VAL  19  -2.418  -5.661  -0.858
   90   2HG1  VAL  19          2HG1      VAL  19  -1.750  -4.028  -0.836
   91   3HG1  VAL  19          3HG1      VAL  19  -2.404  -4.692  -2.332
   92   1HG2  VAL  19          1HG2      VAL  19  -3.989  -2.645  -2.453
   93   2HG2  VAL  19          2HG2      VAL  19  -3.198  -2.091  -0.982
   94   3HG2  VAL  19          3HG2      VAL  19  -4.957  -2.264  -1.029
   95    HA   PRO  20           HA       PRO  20  -5.141  -9.192  -1.029
   96   1HB   PRO  20          1HB       PRO  20  -2.553  -9.377  -2.478
   97   2HB   PRO  20          2HB       PRO  20  -4.001 -10.392  -2.640
   98   1HG   PRO  20          1HG       PRO  20  -3.362  -8.604  -4.512
   99   2HG   PRO  20          2HG       PRO  20  -5.053  -8.893  -4.041
  100   1HD   PRO  20          1HD       PRO  20  -3.256  -6.603  -3.316
  101   2HD   PRO  20          2HD       PRO  20  -4.996  -6.637  -3.686
  102    H    VAL  21           H        VAL  21  -4.447 -10.033   0.703
  103    HA   VAL  21           HA       VAL  21  -2.914  -8.636   2.544
  104    HB   VAL  21           HB       VAL  21  -4.607 -10.512   2.925
  105   1HG1  VAL  21          1HG1      VAL  21  -2.215 -12.277   2.619
  106   2HG1  VAL  21          2HG1      VAL  21  -3.692 -12.282   1.659
  107   3HG1  VAL  21          3HG1      VAL  21  -3.735 -12.765   3.357
  108   1HG2  VAL  21          1HG2      VAL  21  -3.510  -9.407   4.766
  109   2HG2  VAL  21          2HG2      VAL  21  -2.155 -10.554   4.679
  110   3HG2  VAL  21          3HG2      VAL  21  -3.794 -11.111   5.080
  111    H    TRP  22           H        TRP  22  -1.798 -11.146   0.373
  112    HA   TRP  22           HA       TRP  22   0.813 -11.271   1.443
  113   1HB   TRP  22          1HB       TRP  22   1.322 -12.526  -0.710
  114   2HB   TRP  22          2HB       TRP  22   0.072 -13.196   0.345
  115    HD1  TRP  22           HD1      TRP  22   0.418 -11.244  -2.971
  116    HE1  TRP  22           HE1      TRP  22  -1.670 -11.719  -4.395
  117    HE3  TRP  22           HE3      TRP  22  -2.249 -13.990   0.393
  118    HZ2  TRP  22           HZ2      TRP  22  -4.124 -13.086  -4.127
  119    HZ3  TRP  22           HZ3      TRP  22  -4.473 -14.847  -0.292
  120    HH2  TRP  22           HH2      TRP  22  -5.360 -14.391  -2.502
  121    H    ASP  23           H        ASP  23  -0.549  -8.982  -0.851
  122    HA   ASP  23           HA       ASP  23   2.202  -8.143  -1.531
  123   1HB   ASP  23          1HB       ASP  23  -0.418  -7.597  -2.944
  124   2HB   ASP  23          2HB       ASP  23   1.066  -6.701  -3.287
  125    H    MET  24           H        MET  24  -0.009  -7.577   0.652
  126    HA   MET  24           HA       MET  24  -0.488  -4.867   0.869
  127   1HB   MET  24          1HB       MET  24  -0.993  -7.001   2.435
  128   2HB   MET  24          2HB       MET  24   0.289  -6.230   3.372
  129   1HG   MET  24          1HG       MET  24  -2.239  -4.884   2.475
  130   2HG   MET  24          2HG       MET  24  -1.933  -5.538   4.089
  131   1HE   MET  24          1HE       MET  24  -2.766  -2.555   3.051
  132   2HE   MET  24          2HE       MET  24  -1.993  -1.590   4.324
  133   3HE   MET  24          3HE       MET  24  -2.848  -3.093   4.729
  134    HA   PRO  25           HA       PRO  25   3.742  -4.079   3.205
  135   1HB   PRO  25          1HB       PRO  25   5.772  -5.856   2.545
  136   2HB   PRO  25          2HB       PRO  25   4.835  -5.908   4.050
  137   1HG   PRO  25          1HG       PRO  25   4.533  -7.527   1.562
  138   2HG   PRO  25          2HG       PRO  25   4.327  -8.004   3.256
  139   1HD   PRO  25          1HD       PRO  25   2.238  -7.518   1.605
  140   2HD   PRO  25          2HD       PRO  25   2.155  -7.197   3.343
  141    H    GLU  26           H        GLU  26   4.115  -5.836   0.176
  142    HA   GLU  26           HA       GLU  26   5.948  -4.276  -1.229
  143   1HB   GLU  26          1HB       GLU  26   3.562  -5.900  -2.032
  144   2HB   GLU  26          2HB       GLU  26   4.565  -5.125  -3.250
  145   1HG   GLU  26          1HG       GLU  26   5.510  -7.126  -1.211
  146   2HG   GLU  26          2HG       GLU  26   5.077  -7.500  -2.890
  147    H    HIS  27           H        HIS  27   2.455  -4.032  -1.210
  148    HA   HIS  27           HA       HIS  27   2.301  -1.750  -2.844
  149   1HB   HIS  27          1HB       HIS  27   0.513  -3.375  -2.583
  150   2HB   HIS  27          2HB       HIS  27   0.353  -2.962  -0.883
  151    HD1  HIS  27           HD1      HIS  27  -1.062  -2.068  -4.161
  152    HD2  HIS  27           HD2      HIS  27  -0.567  -0.326  -0.453
  153    HE1  HIS  27           HE1      HIS  27  -2.711  -0.156  -4.069
  154    H    MET  28           H        MET  28   2.295  -2.118   0.669
  155    HA   MET  28           HA       MET  28   1.965   0.643   1.107
  156   1HB   MET  28          1HB       MET  28   2.958  -1.503   2.956
  157   2HB   MET  28          2HB       MET  28   2.904   0.195   3.438
  158   1HG   MET  28          1HG       MET  28   0.564  -1.439   2.502
  159   2HG   MET  28          2HG       MET  28   0.909  -0.998   4.172
  160   1HE   MET  28          1HE       MET  28   0.841   1.432   5.122
  161   2HE   MET  28          2HE       MET  28   0.447   2.868   4.186
  162   3HE   MET  28          3HE       MET  28   1.967   2.026   3.897
  163    H    ASP  29           H        ASP  29   4.732  -1.255   0.396
  164    HA   ASP  29           HA       ASP  29   6.637   0.752   1.216
  165   1HB   ASP  29          1HB       ASP  29   7.340  -1.603   1.041
  166   2HB   ASP  29          2HB       ASP  29   6.952  -1.582  -0.689
  167    H    TYR  30           H        TYR  30   4.826   0.014  -1.628
  168    HA   TYR  30           HA       TYR  30   6.151   1.801  -3.372
  169   1HB   TYR  30          1HB       TYR  30   4.539   0.005  -4.087
  170   2HB   TYR  30          2HB       TYR  30   3.235   0.974  -3.394
  171    HD1  TYR  30           HD1      TYR  30   5.420   0.472  -6.232
  172    HD2  TYR  30           HD2      TYR  30   2.654   3.148  -4.458
  173    HE1  TYR  30           HE1      TYR  30   5.148   1.615  -8.395
  174    HE2  TYR  30           HE2      TYR  30   2.371   4.310  -6.610
  175    HH   TYR  30           HH       TYR  30   3.480   2.972  -9.512
  176    H    HIS  31           H        HIS  31   3.322   2.270  -1.238
  177    HA   HIS  31           HA       HIS  31   3.058   5.086  -1.895
  178   1HB   HIS  31          1HB       HIS  31   2.174   3.667   0.637
  179   2HB   HIS  31          2HB       HIS  31   1.974   5.396   0.386
  180    HD1  HIS  31           HD1      HIS  31   0.171   5.987  -1.637
  181    HD2  HIS  31           HD2      HIS  31   0.184   2.185  -0.054
  182    HE1  HIS  31           HE1      HIS  31  -2.042   5.010  -2.257
  183    H    PHE  32           H        PHE  32   4.987   3.255   0.410
  184    HA   PHE  32           HA       PHE  32   5.649   5.396   2.072
  185   1HB   PHE  32          1HB       PHE  32   5.934   2.811   2.387
  186   2HB   PHE  32          2HB       PHE  32   7.499   3.089   1.608
  187    HD1  PHE  32           HD1      PHE  32   5.754   3.010   4.639
  188    HD2  PHE  32           HD2      PHE  32   8.940   5.027   2.675
  189    HE1  PHE  32           HE1      PHE  32   6.629   3.742   6.815
  190    HE2  PHE  32           HE2      PHE  32   9.827   5.754   4.857
  191    HZ   PHE  32           HZ       PHE  32   8.670   5.110   6.925
  192    H    ALA  33           H        ALA  33   7.451   3.760  -0.535
  193    HA   ALA  33           HA       ALA  33   9.629   5.525  -0.641
  194   1HB   ALA  33          1HB       ALA  33   8.449   3.825  -2.837
  195   2HB   ALA  33          2HB       ALA  33   9.609   3.268  -1.639
  196   3HB   ALA  33          3HB       ALA  33  10.074   4.503  -2.809
  197    H    LEU  34           H        LEU  34   6.502   5.609  -2.113
  198    HA   LEU  34           HA       LEU  34   7.052   7.662  -4.015
  199   1HB   LEU  34          1HB       LEU  34   5.113   6.098  -4.121
  200   2HB   LEU  34          2HB       LEU  34   4.414   6.949  -2.753
  201    HG   LEU  34           HG       LEU  34   4.184   8.975  -4.100
  202   1HD1  LEU  34          1HD1      LEU  34   5.308   7.291  -6.329
  203   2HD1  LEU  34          2HD1      LEU  34   6.068   8.710  -5.601
  204   3HD1  LEU  34          3HD1      LEU  34   4.579   8.880  -6.527
  205   1HD2  LEU  34          1HD2      LEU  34   3.040   6.522  -5.422
  206   2HD2  LEU  34          2HD2      LEU  34   2.436   8.170  -5.600
  207   3HD2  LEU  34          3HD2      LEU  34   2.358   7.366  -4.032
  208    H    GLU  35           H        GLU  35   5.819   7.688  -0.686
  209    HA   GLU  35           HA       GLU  35   5.408  10.529  -0.801
  210   1HB   GLU  35          1HB       GLU  35   5.009   8.548   1.440
  211   2HB   GLU  35          2HB       GLU  35   4.588  10.255   1.527
  212   1HG   GLU  35          1HG       GLU  35   3.007   9.968  -0.301
  213   2HG   GLU  35          2HG       GLU  35   3.443   8.253  -0.398
  214    H    LEU  36           H        LEU  36   7.867   8.357  -0.024
  215    HA   LEU  36           HA       LEU  36   9.173   9.999   1.966
  216   1HB   LEU  36          1HB       LEU  36   9.281   7.545   2.105
  217   2HB   LEU  36          2HB       LEU  36  10.070   7.488   0.533
  218    HG   LEU  36           HG       LEU  36  12.044   8.522   1.466
  219   1HD1  LEU  36          1HD1      LEU  36  12.249   8.884   3.898
  220   2HD1  LEU  36          2HD1      LEU  36  10.548   8.467   4.103
  221   3HD1  LEU  36          3HD1      LEU  36  11.002   9.911   3.199
  222   1HD2  LEU  36          1HD2      LEU  36  11.827   6.104   1.521
  223   2HD2  LEU  36          2HD2      LEU  36  11.079   6.195   3.113
  224   3HD2  LEU  36          3HD2      LEU  36  12.758   6.687   2.897
  225    H    GLN  37           H        GLN  37   8.847  10.038  -1.304
  226    HA   GLN  37           HA       GLN  37  11.412  11.094  -2.010
  227   1HB   GLN  37          1HB       GLN  37   8.718  11.288  -3.373
  228   2HB   GLN  37          2HB       GLN  37  10.230  11.880  -4.077
  229   1HG   GLN  37          1HG       GLN  37  11.122   9.659  -4.133
  230   2HG   GLN  37          2HG       GLN  37   9.702   9.029  -3.284
  231   1HE2  GLN  37          1HE2      GLN  37  10.838   8.319  -5.874
  232   2HE2  GLN  37          2HE2      GLN  37   9.560   8.558  -7.024
  233    H    LYS  38           H        LYS  38   8.691  12.193  -0.388
  234    HA   LYS  38           HA       LYS  38   7.912  14.004   0.508
  235   1HB   LYS  38          1HB       LYS  38   9.495  15.464   1.753
  236   2HB   LYS  38          2HB       LYS  38   9.707  13.732   2.012
  237   1HG   LYS  38          1HG       LYS  38  11.659  13.796   0.516
  238   2HG   LYS  38          2HG       LYS  38  11.431  15.544   0.326
  239   1HD   LYS  38          1HD       LYS  38  11.712  15.835   2.743
  240   2HD   LYS  38          2HD       LYS  38  11.936  14.098   2.927
  241   1HE   LYS  38          1HE       LYS  38  13.948  14.206   1.547
  242   2HE   LYS  38          2HE       LYS  38  13.703  15.940   1.325
  243   1HZ   LYS  38          1HZ       LYS  38  13.972  16.245   3.708
  244   2HZ   LYS  38          2HZ       LYS  38  15.331  15.496   3.066
  245   3HZ   LYS  38          3HZ       LYS  38  14.209  14.590   3.927
  246    H    SER  39           H        SER  39   8.890  14.449  -2.431
  247    HA   SER  39           HA       SER  39   7.533  16.931  -2.558
  248   1HB   SER  39          1HB       SER  39   9.948  17.595  -2.234
  249   2HB   SER  39          2HB       SER  39  10.344  16.717  -3.707
  250    HG   SER  39           HG       SER  39   8.282  18.532  -3.959
  Start of MODEL   15
    1    H    ALA   6           H        ALA   6  -9.512 -15.841  -0.400
    2    HA   ALA   6           HA       ALA   6  -7.694 -15.278  -2.346
    3   1HB   ALA   6          1HB       ALA   6  -9.102 -16.488  -3.971
    4   2HB   ALA   6          2HB       ALA   6  -9.102 -14.759  -4.322
    5   3HB   ALA   6          3HB       ALA   6 -10.487 -15.496  -3.516
    6    H    GLU   7           H        GLU   7 -10.717 -14.762  -0.827
    7    HA   GLU   7           HA       GLU   7 -10.890 -11.913  -1.007
    8   1HB   GLU   7          1HB       GLU   7 -12.149 -13.856   0.928
    9   2HB   GLU   7          2HB       GLU   7 -12.634 -12.173   0.693
   10   1HG   GLU   7          1HG       GLU   7 -13.201 -12.732  -1.648
   11   2HG   GLU   7          2HG       GLU   7 -12.844 -14.419  -1.278
   12    H    ASP   8           H        ASP   8  -8.418 -12.806  -0.169
   13    HA   ASP   8           HA       ASP   8  -8.057 -12.187   2.657
   14   1HB   ASP   8          1HB       ASP   8  -6.205 -13.357   0.536
   15   2HB   ASP   8          2HB       ASP   8  -5.762 -13.079   2.224
   16    H    GLN   9           H        GLN   9  -8.828 -10.092   1.729
   17    HA   GLN   9           HA       GLN   9  -6.613  -8.628   0.579
   18   1HB   GLN   9          1HB       GLN   9  -9.551  -8.191  -0.007
   19   2HB   GLN   9          2HB       GLN   9  -8.211  -7.253  -0.672
   20   1HG   GLN   9          1HG       GLN   9  -7.477  -9.160  -1.921
   21   2HG   GLN   9          2HG       GLN   9  -8.730 -10.171  -1.173
   22   1HE2  GLN   9          1HE2      GLN   9  -8.331  -9.620  -3.948
   23   2HE2  GLN   9          2HE2      GLN   9  -9.788  -8.853  -4.519
   24    H    VAL  10           H        VAL  10  -6.470  -6.561   1.522
   25    HA   VAL  10           HA       VAL  10  -8.543  -5.791   3.397
   26    HB   VAL  10           HB       VAL  10  -6.764  -4.891   5.015
   27   1HG1  VAL  10          1HG1      VAL  10  -6.397  -7.052   6.121
   28   2HG1  VAL  10          2HG1      VAL  10  -6.915  -7.885   4.656
   29   3HG1  VAL  10          3HG1      VAL  10  -8.058  -6.884   5.553
   30   1HG2  VAL  10          1HG2      VAL  10  -4.844  -5.018   3.513
   31   2HG2  VAL  10          2HG2      VAL  10  -4.995  -6.773   3.464
   32   3HG2  VAL  10          3HG2      VAL  10  -4.569  -5.967   4.975
   33    HA   PRO  11           HA       PRO  11  -8.248  -2.094   1.141
   34   1HB   PRO  11          1HB       PRO  11  -9.327  -0.394   2.938
   35   2HB   PRO  11          2HB       PRO  11 -10.299  -1.389   1.845
   36   1HG   PRO  11          1HG       PRO  11  -9.715  -1.752   4.749
   37   2HG   PRO  11          2HG       PRO  11 -11.141  -2.262   3.817
   38   1HD   PRO  11          1HD       PRO  11  -9.134  -3.966   4.634
   39   2HD   PRO  11          2HD       PRO  11 -10.184  -4.253   3.234
   40    H    CYS  12           H        CYS  12  -6.554  -1.001   0.870
   41    HA   CYS  12           HA       CYS  12  -4.600  -0.528   2.877
   42   1HB   CYS  12          1HB       CYS  12  -3.903  -1.018   0.677
   43   2HB   CYS  12          2HB       CYS  12  -4.927   0.249   0.001
   44    H    GLU  13           H        GLU  13  -4.848   1.090   4.265
   45    HA   GLU  13           HA       GLU  13  -6.767   3.125   4.362
   46   1HB   GLU  13          1HB       GLU  13  -3.985   3.350   5.446
   47   2HB   GLU  13          2HB       GLU  13  -5.408   4.213   5.989
   48   1HG   GLU  13          1HG       GLU  13  -6.372   2.092   6.748
   49   2HG   GLU  13          2HG       GLU  13  -4.883   1.273   6.260
   50    H    LYS  14           H        LYS  14  -3.664   3.191   2.859
   51    HA   LYS  14           HA       LYS  14  -3.659   5.955   2.643
   52   1HB   LYS  14          1HB       LYS  14  -1.873   3.861   1.542
   53   2HB   LYS  14          2HB       LYS  14  -1.567   5.538   1.122
   54   1HG   LYS  14          1HG       LYS  14  -1.308   6.093   3.451
   55   2HG   LYS  14          2HG       LYS  14  -1.718   4.440   3.918
   56   1HD   LYS  14          1HD       LYS  14   0.199   3.622   2.681
   57   2HD   LYS  14          2HD       LYS  14   0.587   5.284   2.213
   58   1HE   LYS  14          1HE       LYS  14   0.422   4.364   5.075
   59   2HE   LYS  14          2HE       LYS  14   1.921   4.381   4.155
   60   1HZ   LYS  14          1HZ       LYS  14   1.574   6.776   3.813
   61   2HZ   LYS  14          2HZ       LYS  14   1.793   6.346   5.420
   62   3HZ   LYS  14          3HZ       LYS  14   0.243   6.732   4.863
   63    H    CYS  15           H        CYS  15  -5.200   3.774   0.879
   64    HA   CYS  15           HA       CYS  15  -5.683   5.663  -1.323
   65   1HB   CYS  15          1HB       CYS  15  -5.393   4.094  -3.186
   66   2HB   CYS  15          2HB       CYS  15  -3.900   4.397  -2.285
   67    H    GLY  16           H        GLY  16  -6.957   2.957   0.413
   68   1HA   GLY  16          1HA       GLY  16  -9.147   2.475   0.709
   69   2HA   GLY  16          2HA       GLY  16  -9.571   3.481  -0.674
   70    H    SER  17           H        SER  17  -7.125   1.516  -1.696
   71    HA   SER  17           HA       SER  17  -8.942  -0.153  -3.187
   72   1HB   SER  17          1HB       SER  17  -5.933  -0.179  -3.013
   73   2HB   SER  17          2HB       SER  17  -6.873  -0.973  -4.273
   74    HG   SER  17           HG       SER  17  -7.694   1.457  -4.385
   75    H    LEU  18           H        LEU  18  -9.396  -2.287  -2.754
   76    HA   LEU  18           HA       LEU  18  -8.445  -3.494  -0.324
   77   1HB   LEU  18          1HB       LEU  18 -10.000  -4.671  -2.626
   78   2HB   LEU  18          2HB       LEU  18  -9.666  -5.493  -1.108
   79    HG   LEU  18           HG       LEU  18 -11.270  -2.957  -1.283
   80   1HD1  LEU  18          1HD1      LEU  18 -12.397  -4.786  -2.485
   81   2HD1  LEU  18          2HD1      LEU  18 -13.229  -4.414  -0.970
   82   3HD1  LEU  18          3HD1      LEU  18 -12.184  -5.833  -1.080
   83   1HD2  LEU  18          1HD2      LEU  18 -10.233  -3.407   0.869
   84   2HD2  LEU  18          2HD2      LEU  18 -10.955  -5.016   0.888
   85   3HD2  LEU  18          3HD2      LEU  18 -11.982  -3.586   0.945
   86    H    VAL  19           H        VAL  19  -6.476  -3.971  -0.282
   87    HA   VAL  19           HA       VAL  19  -5.146  -5.000  -2.686
   88    HB   VAL  19           HB       VAL  19  -3.900  -4.095  -0.080
   89   1HG1  VAL  19          1HG1      VAL  19  -2.626  -4.666  -2.756
   90   2HG1  VAL  19          2HG1      VAL  19  -2.443  -5.630  -1.291
   91   3HG1  VAL  19          3HG1      VAL  19  -1.792  -3.991  -1.358
   92   1HG2  VAL  19          1HG2      VAL  19  -5.029  -2.256  -1.165
   93   2HG2  VAL  19          2HG2      VAL  19  -4.226  -2.630  -2.687
   94   3HG2  VAL  19          3HG2      VAL  19  -3.281  -2.058  -1.313
   95    HA   PRO  20           HA       PRO  20  -5.183  -9.188  -1.139
   96   1HB   PRO  20          1HB       PRO  20  -2.550  -9.241  -2.569
   97   2HB   PRO  20          2HB       PRO  20  -3.896 -10.397  -2.662
   98   1HG   PRO  20          1HG       PRO  20  -3.473  -8.654  -4.620
   99   2HG   PRO  20          2HG       PRO  20  -5.124  -9.049  -4.086
  100   1HD   PRO  20          1HD       PRO  20  -3.488  -6.609  -3.554
  101   2HD   PRO  20          2HD       PRO  20  -5.240  -6.769  -3.810
  102    H    VAL  21           H        VAL  21  -4.519  -9.833   0.699
  103    HA   VAL  21           HA       VAL  21  -3.121  -8.298   2.489
  104    HB   VAL  21           HB       VAL  21  -4.780 -10.153   2.908
  105   1HG1  VAL  21          1HG1      VAL  21  -3.955 -12.381   3.480
  106   2HG1  VAL  21          2HG1      VAL  21  -2.391 -11.939   2.795
  107   3HG1  VAL  21          3HG1      VAL  21  -3.823 -11.977   1.768
  108   1HG2  VAL  21          1HG2      VAL  21  -4.005 -10.682   5.118
  109   2HG2  VAL  21          2HG2      VAL  21  -3.796  -8.971   4.740
  110   3HG2  VAL  21          3HG2      VAL  21  -2.392 -10.061   4.738
  111    H    TRP  22           H        TRP  22  -1.809 -10.950   0.576
  112    HA   TRP  22           HA       TRP  22   0.715 -10.921   1.828
  113   1HB   TRP  22          1HB       TRP  22   1.458 -12.291  -0.165
  114   2HB   TRP  22          2HB       TRP  22   0.089 -12.926   0.752
  115    HD1  TRP  22           HD1      TRP  22   0.958 -11.365  -2.652
  116    HE1  TRP  22           HE1      TRP  22  -0.958 -11.884  -4.285
  117    HE3  TRP  22           HE3      TRP  22  -2.326 -13.461   0.608
  118    HZ2  TRP  22           HZ2      TRP  22  -3.544 -13.047  -4.199
  119    HZ3  TRP  22           HZ3      TRP  22  -4.513 -14.264  -0.255
  120    HH2  TRP  22           HH2      TRP  22  -5.082 -14.047  -2.603
  121    H    ASP  23           H        ASP  23  -0.520  -8.940  -0.796
  122    HA   ASP  23           HA       ASP  23   2.196  -8.010  -1.407
  123   1HB   ASP  23          1HB       ASP  23  -0.469  -7.445  -2.705
  124   2HB   ASP  23          2HB       ASP  23   0.966  -6.479  -3.056
  125    H    MET  24           H        MET  24   0.013  -7.373   0.873
  126    HA   MET  24           HA       MET  24  -0.258  -4.650   0.850
  127   1HB   MET  24          1HB       MET  24  -0.398  -6.593   3.075
  128   2HB   MET  24          2HB       MET  24  -0.342  -4.873   3.484
  129   1HG   MET  24          1HG       MET  24  -2.281  -5.790   1.424
  130   2HG   MET  24          2HG       MET  24  -2.616  -6.150   3.123
  131   1HE   MET  24          1HE       MET  24  -0.744  -2.862   1.884
  132   2HE   MET  24          2HE       MET  24  -2.093  -1.756   1.661
  133   3HE   MET  24          3HE       MET  24  -1.884  -3.120   0.562
  134    HA   PRO  25           HA       PRO  25   3.759  -3.781   3.484
  135   1HB   PRO  25          1HB       PRO  25   5.349  -6.121   2.540
  136   2HB   PRO  25          2HB       PRO  25   5.393  -5.299   4.114
  137   1HG   PRO  25          1HG       PRO  25   4.225  -7.665   3.890
  138   2HG   PRO  25          2HG       PRO  25   3.480  -6.391   4.871
  139   1HD   PRO  25          1HD       PRO  25   2.742  -7.343   2.125
  140   2HD   PRO  25          2HD       PRO  25   1.698  -6.860   3.484
  141    H    GLU  26           H        GLU  26   4.212  -5.723   0.603
  142    HA   GLU  26           HA       GLU  26   6.110  -4.268  -0.877
  143   1HB   GLU  26          1HB       GLU  26   3.663  -5.719  -1.859
  144   2HB   GLU  26          2HB       GLU  26   5.088  -5.334  -2.824
  145   1HG   GLU  26          1HG       GLU  26   4.985  -7.197  -0.463
  146   2HG   GLU  26          2HG       GLU  26   5.012  -7.674  -2.168
  147    H    HIS  27           H        HIS  27   2.641  -4.007  -1.058
  148    HA   HIS  27           HA       HIS  27   2.559  -1.822  -2.841
  149   1HB   HIS  27          1HB       HIS  27   0.759  -3.359  -2.669
  150   2HB   HIS  27          2HB       HIS  27   0.546  -3.046  -0.951
  151    HD1  HIS  27           HD1      HIS  27  -1.016  -2.201  -4.124
  152    HD2  HIS  27           HD2      HIS  27  -0.332  -0.304  -0.528
  153    HE1  HIS  27           HE1      HIS  27  -2.703  -0.351  -4.003
  154    H    MET  28           H        MET  28   2.412  -2.000   0.687
  155    HA   MET  28           HA       MET  28   2.025   0.796   0.984
  156   1HB   MET  28          1HB       MET  28   3.231  -1.076   3.043
  157   2HB   MET  28          2HB       MET  28   2.753   0.593   3.321
  158   1HG   MET  28          1HG       MET  28   0.427   0.007   2.742
  159   2HG   MET  28          2HG       MET  28   0.925  -1.676   2.604
  160   1HE   MET  28          1HE       MET  28   0.370   1.387   4.966
  161   2HE   MET  28          2HE       MET  28   2.080   1.065   5.266
  162   3HE   MET  28          3HE       MET  28   0.889   0.761   6.528
  163    H    ASP  29           H        ASP  29   4.861  -1.141   0.425
  164    HA   ASP  29           HA       ASP  29   6.723   0.890   1.215
  165   1HB   ASP  29          1HB       ASP  29   7.404  -1.477   1.117
  166   2HB   ASP  29          2HB       ASP  29   7.044  -1.505  -0.616
  167    H    TYR  30           H        TYR  30   5.011   0.042  -1.675
  168    HA   TYR  30           HA       TYR  30   6.297   1.869  -3.410
  169   1HB   TYR  30          1HB       TYR  30   4.762   0.067  -4.201
  170   2HB   TYR  30          2HB       TYR  30   3.411   0.927  -3.451
  171    HD1  TYR  30           HD1      TYR  30   2.555   2.989  -4.470
  172    HD2  TYR  30           HD2      TYR  30   5.722   0.805  -6.270
  173    HE1  TYR  30           HE1      TYR  30   2.201   4.222  -6.561
  174    HE2  TYR  30           HE2      TYR  30   5.378   2.033  -8.372
  175    HH   TYR  30           HH       TYR  30   3.516   3.205  -9.463
  176    H    HIS  31           H        HIS  31   3.502   2.245  -1.255
  177    HA   HIS  31           HA       HIS  31   3.124   5.035  -1.905
  178   1HB   HIS  31          1HB       HIS  31   2.318   3.538   0.587
  179   2HB   HIS  31          2HB       HIS  31   2.081   5.272   0.401
  180    HD1  HIS  31           HD1      HIS  31   0.318   5.900  -1.618
  181    HD2  HIS  31           HD2      HIS  31   0.352   2.044  -0.170
  182    HE1  HIS  31           HE1      HIS  31  -1.929   4.956  -2.215
  183    H    PHE  32           H        PHE  32   5.167   3.305   0.373
  184    HA   PHE  32           HA       PHE  32   5.811   5.441   2.021
  185   1HB   PHE  32          1HB       PHE  32   6.254   2.921   2.334
  186   2HB   PHE  32          2HB       PHE  32   7.669   3.179   1.306
  187    HD1  PHE  32           HD1      PHE  32   6.330   3.312   4.580
  188    HD2  PHE  32           HD2      PHE  32   9.397   4.906   2.114
  189    HE1  PHE  32           HE1      PHE  32   7.573   4.006   6.584
  190    HE2  PHE  32           HE2      PHE  32  10.655   5.597   4.115
  191    HZ   PHE  32           HZ       PHE  32   9.738   5.143   6.352
  192    H    ALA  33           H        ALA  33   7.543   4.015  -0.683
  193    HA   ALA  33           HA       ALA  33   9.564   5.932  -0.870
  194   1HB   ALA  33          1HB       ALA  33   8.410   4.212  -3.048
  195   2HB   ALA  33          2HB       ALA  33   9.677   3.729  -1.921
  196   3HB   ALA  33          3HB       ALA  33   9.978   5.015  -3.096
  197    H    LEU  34           H        LEU  34   6.417   5.728  -2.352
  198    HA   LEU  34           HA       LEU  34   6.668   7.896  -4.165
  199   1HB   LEU  34          1HB       LEU  34   4.948   6.158  -4.342
  200   2HB   LEU  34          2HB       LEU  34   4.194   6.778  -2.882
  201    HG   LEU  34           HG       LEU  34   3.581   8.846  -4.024
  202   1HD1  LEU  34          1HD1      LEU  34   3.913   9.101  -6.422
  203   2HD1  LEU  34          2HD1      LEU  34   4.820   7.592  -6.465
  204   3HD1  LEU  34          3HD1      LEU  34   5.466   8.982  -5.592
  205   1HD2  LEU  34          1HD2      LEU  34   2.076   6.922  -4.094
  206   2HD2  LEU  34          2HD2      LEU  34   2.823   6.405  -5.606
  207   3HD2  LEU  34          3HD2      LEU  34   1.941   7.933  -5.532
  208    H    GLU  35           H        GLU  35   5.506   7.711  -0.839
  209    HA   GLU  35           HA       GLU  35   4.820  10.510  -0.766
  210   1HB   GLU  35          1HB       GLU  35   4.925   8.434   1.438
  211   2HB   GLU  35          2HB       GLU  35   4.377  10.087   1.664
  212   1HG   GLU  35          1HG       GLU  35   2.551   9.687   0.080
  213   2HG   GLU  35          2HG       GLU  35   3.110   8.018  -0.118
  214    H    LEU  36           H        LEU  36   7.603   8.614  -0.358
  215    HA   LEU  36           HA       LEU  36   8.928  10.458   1.426
  216   1HB   LEU  36          1HB       LEU  36   9.273   8.035   1.629
  217   2HB   LEU  36          2HB       LEU  36   9.896   7.997  -0.016
  218    HG   LEU  36           HG       LEU  36  11.829   9.320   0.700
  219   1HD1  LEU  36          1HD1      LEU  36  12.239   9.701   3.080
  220   2HD1  LEU  36          2HD1      LEU  36  10.664   9.018   3.464
  221   3HD1  LEU  36          3HD1      LEU  36  10.771  10.532   2.563
  222   1HD2  LEU  36          1HD2      LEU  36  11.310   6.843   2.335
  223   2HD2  LEU  36          2HD2      LEU  36  12.888   7.571   2.051
  224   3HD2  LEU  36          3HD2      LEU  36  11.970   6.902   0.699
  225    H    GLN  37           H        GLN  37   8.350  10.237  -1.906
  226    HA   GLN  37           HA       GLN  37  10.794  10.977  -2.993
  227   1HB   GLN  37          1HB       GLN  37   8.029  11.600  -4.024
  228   2HB   GLN  37          2HB       GLN  37   9.515  11.922  -4.927
  229   1HG   GLN  37          1HG       GLN  37   8.528   9.232  -3.997
  230   2HG   GLN  37          2HG       GLN  37   8.491   9.853  -5.658
  231   1HE2  GLN  37          1HE2      GLN  37   9.757   7.508  -4.509
  232   2HE2  GLN  37          2HE2      GLN  37  11.443   7.572  -4.903
  233    H    LYS  38           H        LYS  38   8.166  13.237  -2.099
  234    HA   LYS  38           HA       LYS  38  10.308  15.243  -1.872
  235   1HB   LYS  38          1HB       LYS  38   8.603  16.983  -1.914
  236   2HB   LYS  38          2HB       LYS  38   8.368  15.913  -3.300
  237   1HG   LYS  38          1HG       LYS  38   6.533  14.833  -2.169
  238   2HG   LYS  38          2HG       LYS  38   6.792  15.847  -0.734
  239   1HD   LYS  38          1HD       LYS  38   6.297  17.821  -2.109
  240   2HD   LYS  38          2HD       LYS  38   6.020  16.774  -3.500
  241   1HE   LYS  38          1HE       LYS  38   4.449  16.826  -0.922
  242   2HE   LYS  38          2HE       LYS  38   3.908  17.377  -2.498
  243   1HZ   LYS  38          1HZ       LYS  38   4.537  14.566  -1.761
  244   2HZ   LYS  38          2HZ       LYS  38   4.092  15.079  -3.301
  245   3HZ   LYS  38          3HZ       LYS  38   3.011  15.212  -2.031
  246    H    SER  39           H        SER  39   8.682  13.064  -0.189
  247    HA   SER  39           HA       SER  39   8.387  12.500   1.947
  248   1HB   SER  39          1HB       SER  39  10.242  14.805   2.563
  249   2HB   SER  39          2HB       SER  39   9.894  13.430   3.613
  250    HG   SER  39           HG       SER  39  10.703  12.592   1.179