*HEADER    PROTEIN BINDING                         19-APR-02   1IW4              
*TITLE     SOLUTION STRUCTURE OF ASCIDIAN TRYPSIN INHIBITOR                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR;                                         
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HALOCYNTHIA RORETZI;                            
*SOURCE   3 ORGANISM_COMMON: SEA SQUIRT                                          
*KEYWDS    SOLUTION STRUCTURE, ASCIDIAN, TRYPSIN INHIBITOR, NMR,                 
*KEYWDS   2 CYSTINE-STABILIZED ALPHA-HELICAL MOTIF, DISULFIDE BOND,              
*KEYWDS   3 KAZAL-TYPE INHIBITOR                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.HEMMI, T.YOSHIDA, T.KUMAZAKI, N.NEMOTO, J.HASEGAWA,                 
*AUTHOR   2 F.NISHIOKA, Y.KYOGOKU, H.YOKOSAWA, Y.KOBAYASHI                       
*REVDAT   1   28-AUG-02 1IW4    0                                                

assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.5 0.7 0.0
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 3.1 1.3 0.0
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 0.0
assign (resid    2 and  name HB#  )(resid   48 and  name HA   ) 5.0 3.2 0.0
assign (resid    2 and  name HN   )(resid   49 and  name HD#  ) 2.0 0.2 5.4
assign (resid    2 and  name HN   )(resid   49 and  name HE#  ) 7.4 5.6 0.0
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.5 0.7 0.0
assign (resid    2 and  name HA   )(resid   49 and  name HN   ) 2.0 0.2 3.0
assign (resid    2 and  name HA   )(resid   49 and  name HD#  ) 2.0 0.2 5.4
assign (resid    2 and  name HA   )(resid   49 and  name HE#  ) 2.0 0.2 5.4
assign (resid    2 and  name HB#  )(resid    3 and  name HN   ) 5.0 3.2 0.0
assign (resid    2 and  name HD2  )(resid   48 and  name HB#  ) 2.0 0.2 4.0
assign (resid    2 and  name HE1  )(resid   48 and  name HB#  ) 2.0 0.2 4.0
assign (resid    3 and  name HN   )(resid   48 and  name HA   ) 4.0 2.2 0.0
assign (resid    3 and  name HN   )(resid   49 and  name HE#  ) 7.4 5.6 0.0
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 4.0 2.2 0.0
assign (resid    3 and  name HA   )(resid    4 and  name HB#  ) 2.0 0.2 4.0
assign (resid    3 and  name HA   )(resid   49 and  name HE#  ) 7.4 5.6 0.0
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 0.0
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 3.0 1.2 0.0
assign (resid    4 and  name HB#  )(resid   51 and  name HB#  ) 2.0 0.2 5.0
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 4.0 2.2 0.0
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 4.0 2.2 0.0
assign (resid    6 and  name HN   )(resid    6 and  name HG2# ) 6.0 4.2 0.0
assign (resid    6 and  name HN   )(resid    7 and  name HB#  ) 6.0 4.2 0.0
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 5.0 2.2 0.0
assign (resid    6 and  name HN   )(resid   12 and  name HB#  ) 6.0 4.2 0.0
assign (resid    6 and  name HN   )(resid   40 and  name HB#  ) 2.0 0.2 4.0
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 5.0 1.2 0.0
assign (resid    6 and  name HA   )(resid    8 and  name HN   ) 2.0 0.2 3.0
assign (resid    6 and  name HB   )(resid   37 and  name HB#  ) 2.0 0.2 4.0
assign (resid    6 and  name HG2# )(resid    8 and  name HB#  ) 2.0 0.2 5.0
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 4.0 2.2 0.0
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 0.0
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.0 0.2 3.0
assign (resid    7 and  name HA   )(resid    8 and  name HD#  ) 8.4 6.6 0.0
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 2.0 0.2 3.0
assign (resid    7 and  name HB#  )(resid    8 and  name HN   ) 2.0 0.2 3.0
assign (resid    7 and  name HB#  )(resid    8 and  name HD#  ) 2.0 0.2 6.4
assign (resid    7 and  name HB#  )(resid    8 and  name HE#  ) 8.4 6.6 0.0
assign (resid    7 and  name HG#  )(resid    8 and  name HN   ) 2.0 0.2 3.0
assign (resid    7 and  name HG#  )(resid    8 and  name HD#  ) 2.0 0.2 6.4
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 2.5 0.7 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 2.5
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 2.0 0.2 2.5
assign (resid    8 and  name HN   )(resid   11 and  name HB#  ) 2.0 0.2 4.0
assign (resid    8 and  name HB#  )(resid    9 and  name HB#  ) 2.0 0.2 5.0
assign (resid    8 and  name HD#  )(resid    9 and  name HB#  ) 2.0 0.2 6.4
assign (resid    8 and  name HD#  )(resid   11 and  name HD#  ) 2.0 0.2 7.8
assign (resid    8 and  name HD#  )(resid   11 and  name HA   ) 2.0 0.2 5.4
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 3.1 1.3 0.0
assign (resid    9 and  name HN   )(resid    9 and  name HD2# ) 4.0 2.2 0.0
assign (resid    9 and  name HA   )(resid    9 and  name HD2# ) 5.0 3.2 0.0
assign (resid    9 and  name HA   )(resid   10 and  name HD#  ) 6.0 4.2 0.0
assign (resid    9 and  name HB#  )(resid    9 and  name HD2# ) 6.0 4.2 0.0
assign (resid    9 and  name HB#  )(resid   11 and  name HD#  ) 2.0 0.2 6.4
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.5 0.7 0.0
assign (resid   10 and  name HB#  )(resid   10 and  name HD#  ) 6.0 4.2 0.0
assign (resid   10 and  name HB#  )(resid   11 and  name HN   ) 2.0 0.2 4.0
assign (resid   10 and  name HB#  )(resid   13 and  name HB#  ) 2.0 0.2 5.0
assign (resid   10 and  name HG#  )(resid   13 and  name HB#  ) 2.0 0.2 5.0
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 3.1 1.3 0.0
assign (resid   11 and  name HN   )(resid   11 and  name HG   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 5.0 3.2 0.0
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.5 0.7 0.0
assign (resid   11 and  name HA   )(resid   13 and  name HN   ) 4.0 2.2 0.0
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 4.0 2.2 0.0
assign (resid   11 and  name HB#  )(resid   41 and  name HB#  ) 2.0 0.2 5.0
assign (resid   11 and  name HG   )(resid   12 and  name HN   ) 5.0 3.2 0.0
assign (resid   11 and  name HD*  )(resid   12 and  name HN   ) 7.4 5.6 0.0
assign (resid   11 and  name HD*  )(resid   12 and  name HB#  ) 2.0 0.2 6.4
assign (resid   11 and  name HD*  )(resid   41 and  name HN   ) 7.9 6.1 0.0
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 3.6 1.8 0.0
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.5 1.7 0.0
assign (resid   12 and  name HN   )(resid   41 and  name HN   ) 4.0 2.2 0.0
assign (resid   12 and  name HN   )(resid   41 and  name HA   ) 4.0 2.2 0.0
assign (resid   12 and  name HN   )(resid   41 and  name HB1  ) 5.0 3.2 0.0 
assign (resid   12 and  name HN   )(resid   41 and  name HB2  ) 5.0 3.2 0.0 
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.0 1.2 0.0
assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 4.0 2.2 0.0
assign (resid   12 and  name HA   )(resid   41 and  name HB1  ) 5.0 3.2 0.0 
assign (resid   12 and  name HA   )(resid   41 and  name HB2  ) 5.0 3.2 0.0 
assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 5.0 3.2 0.0
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.6 1.8 0.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 6.0 4.2 0.0
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 0.0
assign (resid   13 and  name HN   )(resid   14 and  name HB#  ) 5.0 3.2 0.0
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 3.0 1.2 0.0
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 4.0 2.2 0.0
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 2.5 0.7 0.0
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 4.0 2.2 0.0
assign (resid   14 and  name HB#  )(resid   16 and  name HN   ) 6.0 4.2 0.0
assign (resid   14 and  name HB#  )(resid   38 and  name HN   ) 6.0 4.2 0.0
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 3.5 1.7 0.0 
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 3.5 1.7 0.0 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 0.0
assign (resid   15 and  name HN   )(resid   35 and  name HD2# ) 6.0 4.2 0.0
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 3.5 1.7 0.0
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 0.0
assign (resid   15 and  name HB1  )(resid   16 and  name HN   ) 3.0 1.2 0.0 
assign (resid   15 and  name HB2  )(resid   16 and  name HN   ) 3.0 1.2 0.0 
assign (resid   15 and  name HB1  )(resid   17 and  name HN   ) 5.0 3.2 0.0 
assign (resid   15 and  name HB2  )(resid   17 and  name HN   ) 5.0 3.2 0.0 
assign (resid   15 and  name HD2# )(resid   17 and  name HB#  ) 6.0 4.2 0.0
assign (resid   15 and  name HD2# )(resid   38 and  name HB#  ) 2.0 0.2 5.0
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 3.6 1.8 0.0
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 6.0 4.2 0.0
assign (resid   16 and  name HN   )(resid   16 and  name HD#  ) 6.0 4.2 0.0
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.5 1.7 0.0
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 3.5 1.7 0.0
assign (resid   16 and  name HA   )(resid   35 and  name HD2# ) 5.0 3.2 0.0
assign (resid   16 and  name HG#  )(resid   19 and  name HN   ) 6.0 4.2 0.0
assign (resid   16 and  name HD#  )(resid   17 and  name HN   ) 6.0 4.2 0.0
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 3.1 1.3 0.0
assign (resid   17 and  name HN   )(resid   17 and  name HG#  ) 6.0 4.2 0.0
assign (resid   17 and  name HN   )(resid   35 and  name HD2# ) 6.0 4.2 0.0
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.5 0.7 0.0
assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 4.0 2.2 0.0
assign (resid   17 and  name HB#  )(resid   35 and  name HD2# ) 7.0 5.2 0.0
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 3.6 1.8 0.0
assign (resid   18 and  name HN   )(resid   18 and  name HG   ) 5.0 3.2 0.0
assign (resid   18 and  name HN   )(resid   18 and  name HD*  ) 7.4 5.6 0.0
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.5 0.7 0.0
assign (resid   18 and  name HB1  )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid   18 and  name HB2  )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid   18 and  name HD*  )(resid   35 and  name HD2# ) 8.9 7.1 0.0
assign (resid   19 and  name HN   )(resid   34 and  name HG#  ) 6.0 4.2 0.0
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 5.0 3.2 0.0
assign (resid   19 and  name HA#  )(resid   20 and  name HN   ) 3.5 1.7 0.0
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 3.5 1.7 0.0 
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 2.8 1.0 0.0 
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.5 0.7 0.0
assign (resid   20 and  name HA   )(resid   34 and  name HE   ) 5.0 3.2 0.0
assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 3.0 1.2 0.0 
assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 3.0 1.2 0.0 
assign (resid   20 and  name HB1  )(resid   22 and  name HG2# ) 6.5 4.7 0.0 
assign (resid   20 and  name HB2  )(resid   22 and  name HG2# ) 6.5 4.7 0.0 
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 3.1 1.3 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HG   ) 5.0 3.2 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HD*  ) 7.4 5.6 0.0
assign (resid   21 and  name HN   )(resid   22 and  name HG2# ) 6.0 4.2 0.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 0.0
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 2.5 0.7 0.0
assign (resid   21 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 0.0
assign (resid   21 and  name HA   )(resid   34 and  name HA   ) 4.0 2.2 0.0
assign (resid   21 and  name HA   )(resid   34 and  name HE   ) 5.0 3.2 0.0
assign (resid   21 and  name HB#  )(resid   22 and  name HN   ) 5.0 3.2 0.0
assign (resid   21 and  name HB#  )(resid   53 and  name HD#  ) 7.0 5.2 0.0
assign (resid   21 and  name HG   )(resid   22 and  name HN   ) 5.0 3.2 0.0
assign (resid   21 and  name HG   )(resid   52 and  name HN   ) 5.0 3.2 0.0
assign (resid   21 and  name HG   )(resid   53 and  name HD#  ) 6.0 4.2 0.0
assign (resid   21 and  name HD*  )(resid   22 and  name HN   ) 7.4 5.6 0.0
assign (resid   21 and  name HD*  )(resid   22 and  name HB   ) 7.4 5.6 0.0
assign (resid   21 and  name HD*  )(resid   34 and  name HE   ) 7.9 6.1 0.0
assign (resid   21 and  name HD*  )(resid   52 and  name HN   ) 7.9 6.1 0.0
assign (resid   21 and  name HD*  )(resid   52 and  name HA#  ) 2.0 0.2 6.4
assign (resid   21 and  name HD*  )(resid   53 and  name HB#  ) 8.9 7.1 0.0
assign (resid   21 and  name HD*  )(resid   53 and  name HG#  ) 2.0 0.2 6.9
assign (resid   21 and  name HD*  )(resid   53 and  name HD#  ) 8.9 7.1 0.0
assign (resid   21 and  name HD*  )(resid   54 and  name HN   ) 7.9 6.1 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HB   ) 3.0 1.2 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HB   ) 3.0 1.2 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HG1# ) 6.0 4.2 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HD1# ) 6.0 4.2 0.0
assign (resid   22 and  name HN   )(resid   32 and  name HA   ) 5.0 3.2 0.0
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.5 0.7 0.0
assign (resid   22 and  name HA   )(resid   36 and  name HB#  ) 6.0 4.2 0.0
assign (resid   22 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 0.0
assign (resid   22 and  name HB   )(resid   23 and  name HN   ) 2.0 0.2 3.0
assign (resid   22 and  name HB   )(resid   49 and  name HA   ) 6.0 4.2 0.0
assign (resid   22 and  name HB   )(resid   49 and  name HB1  ) 5.0 3.2 0.0
assign (resid   22 and  name HB   )(resid   49 and  name HB2  ) 5.0 3.2 0.0
assign (resid   22 and  name HB   )(resid   49 and  name HD#  ) 8.4 6.6 0.0
assign (resid   22 and  name HB   )(resid   49 and  name HE#  ) 8.4 6.6 0.0
assign (resid   22 and  name HG2# )(resid   23 and  name HN   ) 6.0 4.2 0.0
assign (resid   22 and  name HG2# )(resid   24 and  name HN   ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   33 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HG2# )(resid   33 and  name HD1  ) 2.0 0.2 4.0
assign (resid   22 and  name HG2# )(resid   49 and  name HA   ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   49 and  name HB1  ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   49 and  name HB2  ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   49 and  name HD#  ) 8.9 7.1 0.0
assign (resid   22 and  name HG2# )(resid   49 and  name HE#  ) 8.9 7.1 0.0
assign (resid   22 and  name HG2# )(resid   51 and  name HA   ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   51 and  name HD2# ) 6.5 4.7 0.0
assign (resid   22 and  name HG2# )(resid   52 and  name HN   ) 6.5 4.7 0.0
assign (resid   22 and  name HG1# )(resid   49 and  name HN   ) 6.0 4.2 0.0
assign (resid   22 and  name HG1# )(resid   49 and  name HD#  ) 8.4 6.6 0.0
assign (resid   22 and  name HG1# )(resid   49 and  name HE#  ) 8.4 6.6 0.0
assign (resid   22 and  name HD1# )(resid   24 and  name HN   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   24 and  name HA   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   33 and  name HB#  ) 2.0 0.2 5.0
assign (resid   22 and  name HD1# )(resid   33 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HD1# )(resid   33 and  name HD2  ) 2.0 0.2 4.0
assign (resid   22 and  name HD1# )(resid   36 and  name HN   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   36 and  name HA   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   36 and  name HB#  ) 2.0 0.2 5.0
assign (resid   22 and  name HD1# )(resid   33 and  name HB#  ) 7.5 5.7 0.0
assign (resid   22 and  name HD1# )(resid   39 and  name HD*  ) 2.0 0.2 5.0
assign (resid   22 and  name HD1# )(resid   39 and  name HD2# ) 2.0 0.2 5.0
assign (resid   22 and  name HD1# )(resid   49 and  name HN   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   49 and  name HA   ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   49 and  name HB1  ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   49 and  name HB2  ) 6.5 4.7 0.0
assign (resid   22 and  name HD1# )(resid   49 and  name HD#  ) 8.9 7.1 0.0
assign (resid   22 and  name HD1# )(resid   49 and  name HE#  ) 8.9 7.1 0.0
assign (resid   22 and  name HD1# )(resid   50 and  name HN   ) 6.5 4.7 0.0
assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 3.6 1.8 0.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 4.0 2.2 0.0
assign (resid   23 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 0.0
assign (resid   23 and  name HN   )(resid   49 and  name HB1  ) 5.0 3.2 0.0
assign (resid   23 and  name HN   )(resid   49 and  name HB2  ) 5.0 3.2 0.0
assign (resid   23 and  name HN   )(resid   49 and  name HD#  ) 7.4 5.6 0.0
assign (resid   23 and  name HN   )(resid   49 and  name HE#  ) 7.4 5.6 0.0
assign (resid   23 and  name HN   )(resid   50 and  name HN   ) 3.5 1.7 0.0
assign (resid   23 and  name HN   )(resid   52 and  name HN   ) 4.0 2.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.5 0.7 0.0
assign (resid   23 and  name HA   )(resid   32 and  name HA   ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   32 and  name HB#  ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   32 and  name HG#  ) 6.0 4.2 0.0
assign (resid   23 and  name HB#  )(resid   32 and  name HB#  ) 2.0 0.2 5.0
assign (resid   23 and  name HB#  )(resid   32 and  name HG#  ) 2.0 0.2 5.0
assign (resid   23 and  name HB#  )(resid   24 and  name HN   ) 5.0 3.2 0.0
assign (resid   23 and  name HB#  )(resid   50 and  name HN   ) 6.0 4.2 0.0
assign (resid   23 and  name HB#  )(resid   50 and  name HB#  ) 2.0 0.2 5.0
assign (resid   23 and  name HB#  )(resid   54 and  name HA   ) 6.0 4.2 0.0
assign (resid   23 and  name HB#  )(resid   54 and  name HN   ) 2.0 0.2 4.0
assign (resid   23 and  name HB#  )(resid   55 and  name HN   ) 6.0 4.2 0.0
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 3.6 1.8 0.0
assign (resid   24 and  name HN   )(resid   31 and  name HN   ) 4.0 2.2 0.0
assign (resid   24 and  name HN   )(resid   31 and  name HB#  ) 6.0 4.2 0.0
assign (resid   24 and  name HN   )(resid   32 and  name HA   ) 4.0 2.2 0.0
assign (resid   24 and  name HN   )(resid   33 and  name HN   ) 4.0 2.2 0.0
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 4.5 2.7 0.0
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.5 0.7 0.0
assign (resid   24 and  name HA   )(resid   25 and  name HG*  ) 7.4 5.6 0.0
assign (resid   24 and  name HA   )(resid   49 and  name HN   ) 2.5 0.7 3.0
assign (resid   24 and  name HA   )(resid   49 and  name HA   ) 2.5 0.7 0.0
assign (resid   24 and  name HA   )(resid   49 and  name HB1  ) 5.0 3.2 0.0
assign (resid   24 and  name HA   )(resid   49 and  name HB2  ) 5.0 3.2 0.0
assign (resid   24 and  name HA   )(resid   49 and  name HD#  ) 7.4 5.6 0.0
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assign (resid   51 and  name HN   )(resid   51 and  name HB#  ) 3.1 1.3 0.0
assign (resid   51 and  name HN   )(resid   51 and  name HD2# ) 5.0 3.2 0.0
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 2.5 0.7 0.0
assign (resid   51 and  name HB1  )(resid   52 and  name HN   ) 3.0 1.2 0.0 
assign (resid   51 and  name HB2  )(resid   52 and  name HN   ) 4.0 2.2 0.0 
assign (resid   52 and  name HN   )(resid   53 and  name HD#  ) 5.0 3.2 0.0
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 2.5 0.7 0.0
assign (resid   53 and  name HB#  )(resid   54 and  name HN   ) 6.0 4.2 0.0
assign (resid   53 and  name HG#  )(resid   54 and  name HN   ) 6.0 4.2 0.0
assign (resid   54 and  name HN   )(resid   54 and  name HB#  ) 3.6 1.8 0.0
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 3.0 1.2 0.0
assign (resid   54 and  name HB#  )(resid   55 and  name HN   ) 4.0 2.2 0.0
assign (resid   54 and  name HB#  )(resid   55 and  name HB#  ) 2.0 0.2 5.0

set message=on echo=on end

! H-bond
assign (resid   35 and  name O    )(resid   39 and  name N    ) 3.0 0.3 0.4
assign (resid   35 and  name O    )(resid   39 and  name HN   ) 2.0 0.3 0.4
assign (resid   36 and  name O    )(resid   40 and  name N    ) 3.0 0.3 0.4
assign (resid   36 and  name O    )(resid   40 and  name HN   ) 2.0 0.3 0.4
assign (resid   37 and  name O    )(resid   41 and  name N    ) 3.0 0.3 0.4
assign (resid   37 and  name O    )(resid   41 and  name HN   ) 2.0 0.3 0.4
assign (resid   38 and  name O    )(resid   42 and  name N    ) 3.0 0.3 0.4
assign (resid   38 and  name O    )(resid   42 and  name HN   ) 2.0 0.3 0.4
assign (resid   39 and  name O    )(resid   43 and  name N    ) 3.0 0.3 0.4
assign (resid   39 and  name O    )(resid   43 and  name HN   ) 2.0 0.3 0.4
!
assign (resid   33 and  name O    )(resid   22 and  name N    ) 3.0 0.3 0.4
assign (resid   33 and  name O    )(resid   22 and  name HN   ) 2.0 0.3 0.4
assign (resid   31 and  name O    )(resid   24 and  name N    ) 3.0 0.3 0.4
assign (resid   31 and  name O    )(resid   24 and  name HN   ) 2.0 0.3 0.4
assign (resid   29 and  name O    )(resid   26 and  name N    ) 3.0 0.3 0.4
assign (resid   29 and  name O    )(resid   26 and  name HN   ) 2.0 0.3 0.4
assign (resid   26 and  name O    )(resid   29 and  name N    ) 3.0 0.3 0.4
assign (resid   26 and  name O    )(resid   29 and  name HN   ) 2.0 0.3 0.4
assign (resid   24 and  name O    )(resid   31 and  name N    ) 3.0 0.3 0.4
assign (resid   24 and  name O    )(resid   31 and  name HN   ) 2.0 0.3 0.4
!
assign (resid   50 and  name O    )(resid   23 and  name N    ) 3.0 0.3 0.4
assign (resid   50 and  name O    )(resid   23 and  name HN   ) 2.0 0.3 0.4
assign (resid   23 and  name O    )(resid   50 and  name N    ) 3.0 0.3 0.4
assign (resid   23 and  name O    )(resid   50 and  name HN   ) 2.0 0.3 0.4
assign (resid   48 and  name O    )(resid   25 and  name N    ) 3.0 0.3 0.4
assign (resid   48 and  name O    )(resid   25 and  name HN   ) 2.0 0.3 0.4
assign (resid   25 and  name O    )(resid   48 and  name N    ) 3.0 0.3 0.4
assign (resid   25 and  name O    )(resid   48 and  name HN   ) 2.0 0.3 0.4
!

! dihedral restraints

set message=off echo=off end

!H2
assign  (resid 1 and name c)(resid 2 and name n)
        (resid 2 and name ca)(resid 2 and name c) 1.0 -120.0 50.0 2    !Phi

!M3
assign  (resid 2 and name c)(resid 3 and name n)
        (resid 3 and name ca)(resid 3 and name c) 1.0 -120.0 50.0 2    !Phi


!D4
assign  (resid 3 and name c)(resid 4 and name n)
        (resid 4 and name ca)(resid 4 and name c) 1.0 -100.0 80.0 2    !Phi


!C5
assign  (resid 4 and name c)(resid 5 and name n)
        (resid 5 and name ca)(resid 5 and name c) 1.0 -120.0 40.0 2    !Phi


!E7
assign  (resid 6 and name c)(resid 7 and name n)
        (resid 7 and name ca)(resid 7 and name c) 1.0 -100.0 80.0 2    !Phi

!F8
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 40.0 2    !Phi


!N9
assign  (resid 8 and name c)(resid 9 and name n)
        (resid 9 and name ca)(resid 9 and name c) 1.0 -120.0 50.0 2    !Phi

!L11
assign  (resid 10 and name c)(resid 11 and name n)
         (resid 11 and name ca)(resid 11 and name c) 1.0 -100.0 80.0 2    !Phi


!C12
assign (resid 11 and name c)(resid 12 and name n)
        (resid 12 and name ca)(resid 12 and name c) 1.0 -100.0 80.0 2 !Phi


!R13
assign  (resid 12 and name c)(resid 13 and name n)
        (resid 13 and name ca)(resid 13 and name c) 1.0 -120.0 40.0 2    !Phi

!C14
assign (resid 13 and name c)(resid 14 and name n)
        (resid 14 and name ca)(resid 14 and name c) 1.0 -120.0 50.0 2 !Phi


!N15
assign  (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -120.0 50.0 2    !Phi
assign  (resid 15 and name n)(resid 15 and name ca)
        (resid 15 and name cb)(resid 15 and name cg) 1.0  180.0 60.0  2    !Chi1

!K16
assign  (resid 15 and name c)(resid 16 and name n)
         (resid 16 and name ca)(resid 16 and name c) 1.0 -100.0 80.0 2    !Phi


!M17
assign  (resid 16 and name c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -100.0 80.0 2    !Phi

!L18
assign (resid 17 and name c)(resid 18 and name n)
        (resid 18 and name ca)(resid 18 and name c) 1.0 -120.0 50.0 2 !Phi
assign  (resid 18 and name n)(resid 18 and name ca)
        (resid 18 and name cb)(resid 18 and name cg) 1.0  60.0 60.0  2    !Chi 1

!D20
assign  (resid 20 and name n)(resid 20 and name ca)
        (resid 20 and name cb)(resid 20 and name cg) 1.0  -60.0 60.0  2    !Chi1

!L21
assign  (resid 20 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -100.0 80.0 2    !Phi

!I22
assign (resid 21 and name c)(resid 22 and name n)
        (resid 22 and name ca)(resid 22 and name c) 1.0 -120.0 40.0 2 !Phi

!C23
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 40.0 2 !Phi
assign (resid 23 and name n)(resid 23 and name ca)
       (resid 23 and name c)(resid 24 and name n) 1.0 120.0 60.0 2  !Psi


!A24
assign (resid 23 and name c)(resid 24 and name n)
        (resid 24 and name ca)(resid 24 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 24 and name n)(resid 24 and name ca)
        (resid 24 and name c)(resid 25 and name n) 1.0 120.0 60.0 2  !Psi

!V25
assign (resid 24 and name c)(resid 25 and name n)
        (resid 25 and name ca)(resid 25 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 25 and name n)(resid 25 and name ca)
        (resid 25 and name c)(resid 26 and name n) 1.0 120.0 60.0 2  !Psi

!I26
assign (resid 25 and name c)(resid 26 and name n)
        (resid 26 and name ca)(resid 26 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 26 and name n)(resid 26 and name ca)
        (resid 26 and name c)(resid 27 and name n) 1.0 120.0 60.0 2  !Psi


!D28
assign (resid 27 and name c)(resid 28 and name n)
        (resid 28 and name ca)(resid 28 and name c) 1.0 -120.0 50.0 2 !Phi

!A29
assign (resid 28 and name c)(resid 29 and name n)
        (resid 29 and name ca)(resid 29 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name c)(resid 30 and name n) 1.0 120.0 60.0 2  !Psi

!K30
assign (resid 29 and name c)(resid 30 and name n)
        (resid 30 and name ca)(resid 30 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 30 and name n)(resid 30 and name ca)
        (resid 30 and name c)(resid 31 and name n) 1.0 120.0 60.0 2  !Psi


!E31
assign  (resid 30 and name c)(resid 31 and name n)
        (resid 31 and name ca)(resid 31 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 31 and name n)(resid 31 and name ca)
        (resid 31 and name c)(resid 32 and name n) 1.0 120.0 60.0 2  !Psi

!E32
assign  (resid 31 and name c)(resid 32 and name n)
        (resid 32 and name ca)(resid 32 and name c) 1.0 -120.0 50.0 2    !Phi
assign (resid 32 and name n)(resid 32 and name ca)
        (resid 32 and name c)(resid 33 and name n) 1.0 120.0 60.0 2  !Psi

!H33
assign  (resid 32 and name c)(resid 33 and name n)
        (resid 33 and name ca)(resid 33 and name c) 1.0 -120.0 40.0 2    !Phi

!R34
assign  (resid 33 and name c)(resid 34 and name n)
        (resid 34 and name ca)(resid 34 and name c) 1.0 -120.0 40.0 2    !Phi

!N35
assign  (resid 34 and name c)(resid 35 and name n)
        (resid 35 and name ca)(resid 35 and name c) 1.0 -120.0 40.0 2    !Phi
assign  (resid 35 and name n)(resid 35 and name ca)
        (resid 35 and name cb)(resid 35 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!M36
assign  (resid 35 and name c)(resid 36 and name n)
        (resid 36 and name ca)(resid 36 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 36 and name n)(resid 36 and name ca)
        (resid 36 and name c)(resid 37 and name n) 1.0 -40.0 30.0 2  !Psi

!C37
assign  (resid 36 and name c)(resid 37 and name n)
        (resid 37 and name ca)(resid 37 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 37 and name n)(resid 37 and name ca)
        (resid 37 and name c)(resid 38 and name n) 1.0 -40.0 30.0 2  !Psi


!A38
assign  (resid 37 and name c)(resid 38 and name n)
        (resid 38 and name ca)(resid 38 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 38 and name n)(resid 38 and name ca)
        (resid 38 and name c)(resid 39 and name n) 1.0 -40.0 30.0 2  !Psi

!L39
assign  (resid 38 and name c)(resid 39 and name n)
        (resid 39 and name ca)(resid 39 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 39 and name n)(resid 39 and name ca)
        (resid 39 and name c)(resid 40 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 39 and name n)(resid 39 and name ca)
        (resid 39 and name cb)(resid 39 and name cg) 1.0 180.0 60.0  2    !Chi1

!C41
assign  (resid 40 and name c)(resid 41 and name n)
        (resid 41 and name ca)(resid 41 and name c) 1.0 -60.0 30.0 2    !Phi
assign  (resid 41 and name n)(resid 41 and name ca)
        (resid 41 and name cb)(resid 41 and name sg) 1.0  60.0 60.0  2    !Chi1

!H43
assign  (resid 42 and name c)(resid 43 and name n)
        (resid 43 and name ca)(resid 43 and name c) 1.0 -120.0 40.0 2    !Phi

!F47
assign  (resid 46 and name c)(resid 47 and name n)
         (resid 47 and name ca)(resid 47 and name c) 1.0 -100.0 80.0 2    !Phi

!E48
assign  (resid 47 and name c)(resid 48 and name n)
        (resid 48 and name ca)(resid 48 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 48 and name n)(resid 48 and name ca)
        (resid 48 and name c)(resid 49 and name n) 1.0 120.0 60.0 2  !Psi


!Y49
assign  (resid 48 and name c)(resid 49 and name n)
        (resid 49 and name ca)(resid 49 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 49 and name n)(resid 49 and name ca)
        (resid 49 and name c)(resid 50 and name n) 1.0 120.0 60.0 2  !Psi
assign  (resid 49 and name n)(resid 49 and name ca)
        (resid 49 and name cb)(resid 49 and name cg) 1.0  60.0 60.0  2    !Chi1

!S50
assign  (resid 49 and name c)(resid 50 and name n)
        (resid 50 and name ca)(resid 50 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 50 and name n)(resid 50 and name ca)
        (resid 50 and name c)(resid 51 and name n) 1.0 120.0 60.0 2  !Psi


!N51
assign  (resid 51 and name n)(resid 51 and name ca)
        (resid 51 and name cb)(resid 51 and name cg) 1.0  -60.0 60.0  2    !Chi1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   9.769  -0.130  -0.172
    2   2H    ALA   1          2H        ALA   1  11.482  -0.032  -0.136
    3   3H    ALA   1          3H        ALA   1  10.671  -1.260   0.748
    4    HA   ALA   1           HA       ALA   1  11.145  -1.009  -2.113
    5   1HB   ALA   1          1HB       ALA   1  11.081  -3.600  -0.715
    6   2HB   ALA   1          2HB       ALA   1  12.328  -2.473  -0.182
    7   3HB   ALA   1          3HB       ALA   1  12.246  -2.961  -1.875
    8    H    HIS   2           H        HIS   2  10.012  -2.615  -3.481
    9    HA   HIS   2           HA       HIS   2   7.194  -2.382  -3.177
   10   1HB   HIS   2          2HB       HIS   2   8.656  -4.231  -5.068
   11   2HB   HIS   2          1HB       HIS   2   7.032  -3.579  -5.251
   12    HD1  HIS   2           1HD      HIS   2  10.647  -2.485  -5.358
   13    HD2  HIS   2           2HD      HIS   2   6.888  -1.157  -6.527
   14    HE1  HIS   2           1HE      HIS   2  11.064  -0.449  -6.773
   15    HE2  HIS   2           2HE      HIS   2   8.772   0.389  -7.396
   16    H    MET   3           H        MET   3   6.811  -3.339  -1.156
   17    HA   MET   3           HA       MET   3   7.453  -6.109  -0.698
   18   1HB   MET   3          2HB       MET   3   6.399  -3.886   0.854
   19   2HB   MET   3          1HB       MET   3   5.589  -5.404   1.224
   20   1HG   MET   3          2HG       MET   3   7.659  -6.451   1.787
   21   2HG   MET   3          1HG       MET   3   8.575  -5.054   1.226
   22   1HE   MET   3          1HE       MET   3   8.712  -6.609   4.105
   23   2HE   MET   3          2HE       MET   3   6.961  -6.803   4.182
   24   3HE   MET   3          3HE       MET   3   7.796  -5.843   5.402
   25    H    ASP   4           H        ASP   4   5.421  -7.296   0.478
   26    HA   ASP   4           HA       ASP   4   3.963  -8.568  -1.410
   27   1HB   ASP   4          2HB       ASP   4   4.082  -8.702   1.293
   28   2HB   ASP   4          1HB       ASP   4   2.456  -8.058   1.086
   29    H    CYS   5           H        CYS   5   2.650  -7.833  -2.951
   30    HA   CYS   5           HA       CYS   5   0.881  -5.577  -2.308
   31   1HB   CYS   5          2HB       CYS   5   2.609  -6.123  -4.561
   32   2HB   CYS   5          1HB       CYS   5   0.954  -5.855  -5.096
   33    H    THR   6           H        THR   6  -1.270  -5.526  -3.119
   34    HA   THR   6           HA       THR   6  -2.647  -8.002  -2.934
   35    HB   THR   6           HB       THR   6  -3.852  -5.589  -4.249
   36    HG1  THR   6           1HG      THR   6  -2.975  -5.791  -1.573
   37   1HG2  THR   6          1HG2      THR   6  -4.842  -7.469  -2.120
   38   2HG2  THR   6          2HG2      THR   6  -5.290  -7.499  -3.826
   39   3HG2  THR   6          3HG2      THR   6  -5.747  -6.125  -2.818
   40    H    GLU   7           H        GLU   7  -0.928  -6.592  -5.633
   41    HA   GLU   7           HA       GLU   7  -2.384  -7.001  -7.854
   42   1HB   GLU   7          2HB       GLU   7  -0.253  -7.685  -8.979
   43   2HB   GLU   7          1HB       GLU   7  -0.144  -6.219  -8.015
   44   1HG   GLU   7          2HG       GLU   7   1.379  -7.095  -6.646
   45   2HG   GLU   7          1HG       GLU   7   0.514  -8.626  -6.515
   46    H    PHE   8           H        PHE   8  -3.915  -8.697  -7.284
   47    HA   PHE   8           HA       PHE   8  -3.224 -11.153  -8.552
   48   1HB   PHE   8          2HB       PHE   8  -3.977 -12.572  -6.545
   49   2HB   PHE   8          1HB       PHE   8  -2.351 -11.917  -6.523
   50    HD1  PHE   8           1HD      PHE   8  -5.699 -10.560  -5.558
   51    HD2  PHE   8           2HD      PHE   8  -1.691 -11.410  -4.412
   52    HE1  PHE   8           1HE      PHE   8  -6.122  -9.581  -3.341
   53    HE2  PHE   8           2HE      PHE   8  -2.109 -10.431  -2.197
   54    HZ   PHE   8           HZ       PHE   8  -4.330  -9.514  -1.659
   55    H    ASN   9           H        ASN   9  -5.537 -12.521  -7.110
   56    HA   ASN   9           HA       ASN   9  -7.522 -11.630  -8.911
   57   1HB   ASN   9          2HB       ASN   9  -7.525 -13.611  -6.652
   58   2HB   ASN   9          1HB       ASN   9  -9.007 -13.217  -7.517
   59   1HD2  ASN   9          1HD2      ASN   9  -7.924 -12.902 -10.081
   60   2HD2  ASN   9          2HD2      ASN   9  -7.379 -14.442 -10.635
   61    HA   PRO  10           HA       PRO  10  -9.994  -9.740  -5.342
   62   1HB   PRO  10          2HB       PRO  10  -9.251 -10.033  -2.769
   63   2HB   PRO  10          1HB       PRO  10 -10.184 -11.270  -3.622
   64   1HG   PRO  10          2HG       PRO  10  -7.244 -11.166  -3.066
   65   2HG   PRO  10          1HG       PRO  10  -8.360 -12.534  -2.923
   66   1HD   PRO  10          2HD       PRO  10  -6.714 -12.182  -5.061
   67   2HD   PRO  10          1HD       PRO  10  -8.289 -12.992  -5.166
   68    H    LEU  11           H        LEU  11  -8.445  -8.182  -6.590
   69    HA   LEU  11           HA       LEU  11  -6.311  -6.871  -5.461
   70   1HB   LEU  11          2HB       LEU  11  -6.763  -5.026  -6.901
   71   2HB   LEU  11          1HB       LEU  11  -7.214  -6.488  -7.754
   72    HG   LEU  11           HG       LEU  11  -8.901  -4.931  -8.252
   73   1HD1  LEU  11          1HD1      LEU  11  -9.751  -7.149  -7.619
   74   2HD1  LEU  11          2HD1      LEU  11 -10.909  -5.862  -7.286
   75   3HD1  LEU  11          3HD1      LEU  11  -9.980  -6.574  -5.968
   76   1HD2  LEU  11          1HD2      LEU  11  -9.571  -4.329  -5.421
   77   2HD2  LEU  11          2HD2      LEU  11  -9.770  -3.340  -6.868
   78   3HD2  LEU  11          3HD2      LEU  11  -8.174  -3.529  -6.141
   79    H    CYS  12           H        CYS  12  -6.331  -4.495  -4.697
   80    HA   CYS  12           HA       CYS  12  -6.894  -4.236  -2.170
   81   1HB   CYS  12          2HB       CYS  12  -6.898  -1.914  -2.331
   82   2HB   CYS  12          1HB       CYS  12  -5.977  -2.471  -3.715
   83    H    ARG  13           H        ARG  13  -8.727  -5.800  -2.224
   84    HA   ARG  13           HA       ARG  13 -11.353  -4.492  -2.314
   85   1HB   ARG  13          2HB       ARG  13 -10.432  -7.178  -2.683
   86   2HB   ARG  13          1HB       ARG  13 -11.537  -7.163  -1.319
   87   1HG   ARG  13          2HG       ARG  13 -12.116  -6.165  -4.099
   88   2HG   ARG  13          1HG       ARG  13 -12.732  -7.643  -3.357
   89   1HD   ARG  13          2HD       ARG  13 -13.316  -4.809  -2.511
   90   2HD   ARG  13          1HD       ARG  13 -14.434  -5.937  -3.276
   91    HE   ARG  13           HE       ARG  13 -13.688  -5.844  -0.499
   92   1HH1  ARG  13          1HH1      ARG  13 -14.940  -7.852  -3.066
   93   2HH1  ARG  13          2HH1      ARG  13 -15.746  -8.942  -1.988
   94   1HH2  ARG  13          1HH2      ARG  13 -14.752  -7.274   0.918
   95   2HH2  ARG  13          2HH2      ARG  13 -15.640  -8.614   0.273
   96    H    CYS  14           H        CYS  14  -9.578  -3.485  -0.494
   97    HA   CYS  14           HA       CYS  14 -10.851  -4.165   2.044
   98   1HB   CYS  14          2HB       CYS  14  -8.210  -3.598   2.717
   99   2HB   CYS  14          1HB       CYS  14  -8.973  -5.181   2.729
  100    H    ASN  15           H        ASN  15 -11.830  -2.320   2.616
  101    HA   ASN  15           HA       ASN  15 -10.513   0.234   2.028
  102   1HB   ASN  15          2HB       ASN  15 -13.218  -0.625   1.940
  103   2HB   ASN  15          1HB       ASN  15 -13.097   0.613   3.176
  104   1HD2  ASN  15          1HD2      ASN  15 -11.242   2.297   2.225
  105   2HD2  ASN  15          2HD2      ASN  15 -11.763   3.005   0.737
  106    H    LYS  16           H        LYS  16 -12.211  -1.413   4.646
  107    HA   LYS  16           HA       LYS  16 -12.318  -0.012   6.788
  108   1HB   LYS  16          2HB       LYS  16 -11.596  -1.833   8.187
  109   2HB   LYS  16          1HB       LYS  16 -12.423  -2.482   6.779
  110   1HG   LYS  16          2HG       LYS  16  -9.549  -2.241   6.388
  111   2HG   LYS  16          1HG       LYS  16  -9.980  -3.287   7.741
  112   1HD   LYS  16          2HD       LYS  16 -11.003  -3.528   4.911
  113   2HD   LYS  16          1HD       LYS  16  -9.795  -4.566   5.670
  114   1HE   LYS  16          2HE       LYS  16 -12.729  -4.349   6.264
  115   2HE   LYS  16          1HE       LYS  16 -11.800  -5.774   5.805
  116   1HZ   LYS  16          1HZ       LYS  16 -11.644  -4.329   8.395
  117   2HZ   LYS  16          2HZ       LYS  16 -10.656  -5.631   7.960
  118   3HZ   LYS  16          3HZ       LYS  16 -12.324  -5.857   8.134
  119    H    MET  17           H        MET  17 -10.718   1.688   5.746
  120    HA   MET  17           HA       MET  17  -7.985   1.528   6.426
  121   1HB   MET  17          2HB       MET  17  -8.294   4.161   6.369
  122   2HB   MET  17          1HB       MET  17  -8.223   3.177   4.919
  123   1HG   MET  17          2HG       MET  17 -10.013   4.916   4.940
  124   2HG   MET  17          1HG       MET  17 -10.571   3.276   4.626
  125   1HE   MET  17          1HE       MET  17 -11.350   6.443   6.464
  126   2HE   MET  17          2HE       MET  17 -12.894   5.840   7.064
  127   3HE   MET  17          3HE       MET  17 -12.472   5.648   5.362
  128    H    LEU  18           H        LEU  18  -8.126   0.693   8.550
  129    HA   LEU  18           HA       LEU  18  -7.670   2.647  10.529
  130   1HB   LEU  18          2HB       LEU  18  -9.510   2.278  12.007
  131   2HB   LEU  18          1HB       LEU  18 -10.146   2.726  10.435
  132    HG   LEU  18           HG       LEU  18 -10.030  -0.086  10.443
  133   1HD1  LEU  18          1HD1      LEU  18  -9.969   0.562  13.047
  134   2HD1  LEU  18          2HD1      LEU  18 -10.789  -0.866  12.418
  135   3HD1  LEU  18          3HD1      LEU  18 -11.710   0.597  12.768
  136   1HD2  LEU  18          1HD2      LEU  18 -12.640   0.428  10.777
  137   2HD2  LEU  18          2HD2      LEU  18 -11.787   0.699   9.257
  138   3HD2  LEU  18          3HD2      LEU  18 -12.071   2.045  10.361
  139    H    GLY  19           H        GLY  19  -5.917   0.893   9.911
  140   1HA   GLY  19          2HA       GLY  19  -5.612  -0.701  12.263
  141   2HA   GLY  19          1HA       GLY  19  -5.987  -1.694  10.866
  142    H    ASP  20           H        ASP  20  -4.548  -1.254   8.910
  143    HA   ASP  20           HA       ASP  20  -1.930  -1.886   9.527
  144   1HB   ASP  20          2HB       ASP  20  -2.647  -0.466   6.982
  145   2HB   ASP  20          1HB       ASP  20  -1.456  -1.730   7.236
  146    H    LEU  21           H        LEU  21  -0.062  -0.543   8.464
  147    HA   LEU  21           HA       LEU  21  -0.112   2.276   8.702
  148   1HB   LEU  21          2HB       LEU  21  -0.258   1.733  11.085
  149   2HB   LEU  21          1HB       LEU  21   1.171   0.727  10.953
  150    HG   LEU  21           HG       LEU  21   2.605   2.563  10.749
  151   1HD1  LEU  21          1HD1      LEU  21   1.766   3.927   9.101
  152   2HD1  LEU  21          2HD1      LEU  21   1.521   4.927  10.534
  153   3HD1  LEU  21          3HD1      LEU  21   0.169   4.027   9.844
  154   1HD2  LEU  21          1HD2      LEU  21   1.353   4.262  12.492
  155   2HD2  LEU  21          2HD2      LEU  21   2.273   2.826  12.944
  156   3HD2  LEU  21          3HD2      LEU  21   0.519   2.735  12.784
  157    H    ILE  22           H        ILE  22   0.713   1.289   6.601
  158    HA   ILE  22           HA       ILE  22   3.390   0.255   6.586
  159    HB   ILE  22           HB       ILE  22   1.295   0.154   4.828
  160   1HG1  ILE  22          2HG1      ILE  22   4.114  -0.324   3.937
  161   2HG1  ILE  22          1HG1      ILE  22   3.330  -1.345   5.136
  162   1HG2  ILE  22          1HG2      ILE  22   1.812   1.260   2.819
  163   2HG2  ILE  22          2HG2      ILE  22   3.356   1.828   3.456
  164   3HG2  ILE  22          3HG2      ILE  22   1.846   2.468   4.102
  165   1HD1  ILE  22          1HD1      ILE  22   3.093  -2.381   3.015
  166   2HD1  ILE  22          2HD1      ILE  22   2.465  -0.895   2.302
  167   3HD1  ILE  22          3HD1      ILE  22   1.517  -1.767   3.505
  168    H    CYS  23           H        CYS  23   5.009   1.228   5.090
  169    HA   CYS  23           HA       CYS  23   5.063   4.175   5.349
  170   1HB   CYS  23          2HB       CYS  23   7.422   2.296   5.589
  171   2HB   CYS  23          1HB       CYS  23   7.497   4.052   5.666
  172    H    ALA  24           H        ALA  24   4.263   4.406   3.222
  173    HA   ALA  24           HA       ALA  24   5.908   3.270   1.098
  174   1HB   ALA  24          1HB       ALA  24   4.103   3.181  -0.218
  175   2HB   ALA  24          2HB       ALA  24   3.489   4.736   0.341
  176   3HB   ALA  24          3HB       ALA  24   3.239   3.287   1.316
  177    H    VAL  25           H        VAL  25   6.906   4.369  -0.433
  178    HA   VAL  25           HA       VAL  25   6.838   7.294  -0.409
  179    HB   VAL  25           HB       VAL  25   8.789   6.397   0.914
  180   1HG1  VAL  25          1HG1      VAL  25   9.813   5.557  -1.790
  181   2HG1  VAL  25          2HG1      VAL  25   9.247   4.454  -0.536
  182   3HG1  VAL  25          3HG1      VAL  25  10.673   5.451  -0.253
  183   1HG2  VAL  25          1HG2      VAL  25   8.586   8.596  -0.598
  184   2HG2  VAL  25          2HG2      VAL  25   9.976   7.839  -1.375
  185   3HG2  VAL  25          3HG2      VAL  25  10.023   8.212   0.349
  186    H    ILE  26           H        ILE  26   7.353   8.253  -2.365
  187    HA   ILE  26           HA       ILE  26   7.889   6.527  -4.656
  188    HB   ILE  26           HB       ILE  26   6.008   8.110  -5.799
  189   1HG1  ILE  26          2HG1      ILE  26   5.353   8.880  -3.470
  190   2HG1  ILE  26          1HG1      ILE  26   4.048   8.263  -4.473
  191   1HG2  ILE  26          1HG2      ILE  26   5.250   5.470  -4.603
  192   2HG2  ILE  26          2HG2      ILE  26   6.448   5.596  -5.890
  193   3HG2  ILE  26          3HG2      ILE  26   4.800   6.157  -6.163
  194   1HD1  ILE  26          1HD1      ILE  26   3.547   7.204  -2.544
  195   2HD1  ILE  26          2HD1      ILE  26   5.217   7.178  -1.989
  196   3HD1  ILE  26          3HD1      ILE  26   4.673   6.015  -3.196
  197    H    GLY  27           H        GLY  27   9.862   7.564  -4.771
  198   1HA   GLY  27          2HA       GLY  27  11.334   9.039  -5.728
  199   2HA   GLY  27          1HA       GLY  27   9.948   9.873  -6.416
  200    H    ASP  28           H        ASP  28   8.592  10.906  -4.501
  201    HA   ASP  28           HA       ASP  28  10.244  12.106  -2.460
  202   1HB   ASP  28          2HB       ASP  28  10.665  13.513  -4.477
  203   2HB   ASP  28          1HB       ASP  28   8.941  13.864  -4.549
  204    H    ALA  29           H        ALA  29   7.757  10.450  -2.798
  205    HA   ALA  29           HA       ALA  29   6.003  12.198  -1.194
  206   1HB   ALA  29          1HB       ALA  29   5.401  10.834  -3.675
  207   2HB   ALA  29          2HB       ALA  29   4.474  12.057  -2.806
  208   3HB   ALA  29          3HB       ALA  29   4.304  10.354  -2.380
  209    H    LYS  30           H        LYS  30   7.037  11.276   0.645
  210    HA   LYS  30           HA       LYS  30   6.547   8.433   1.105
  211   1HB   LYS  30          2HB       LYS  30   8.750   8.932   1.688
  212   2HB   LYS  30          1HB       LYS  30   8.324  10.492   2.374
  213   1HG   LYS  30          2HG       LYS  30   7.156   8.187   3.761
  214   2HG   LYS  30          1HG       LYS  30   8.918   8.274   3.813
  215   1HD   LYS  30          2HD       LYS  30   7.665  10.853   4.296
  216   2HD   LYS  30          1HD       LYS  30   7.154   9.631   5.460
  217   1HE   LYS  30          2HE       LYS  30   9.045  10.062   6.559
  218   2HE   LYS  30          1HE       LYS  30   9.884   9.238   5.245
  219   1HZ   LYS  30          1HZ       LYS  30   9.242  12.026   4.768
  220   2HZ   LYS  30          2HZ       LYS  30  10.653  11.163   4.415
  221   3HZ   LYS  30          3HZ       LYS  30  10.388  11.746   5.981
  222    H    GLU  31           H        GLU  31   4.731   7.861   2.097
  223    HA   GLU  31           HA       GLU  31   3.816   9.273   4.446
  224   1HB   GLU  31          2HB       GLU  31   2.768  10.448   2.458
  225   2HB   GLU  31          1HB       GLU  31   1.898   8.954   2.137
  226   1HG   GLU  31          2HG       GLU  31   1.637   9.837   4.893
  227   2HG   GLU  31          1HG       GLU  31   1.049  11.025   3.731
  228    H    GLU  32           H        GLU  32   2.228   8.076   5.651
  229    HA   GLU  32           HA       GLU  32   2.559   5.236   5.336
  230   1HB   GLU  32          2HB       GLU  32   0.664   6.447   7.312
  231   2HB   GLU  32          1HB       GLU  32   1.661   5.010   7.466
  232   1HG   GLU  32          2HG       GLU  32   3.177   6.179   8.555
  233   2HG   GLU  32          1HG       GLU  32   3.402   7.209   7.143
  234    H    HIS  33           H        HIS  33   0.838   3.701   5.184
  235    HA   HIS  33           HA       HIS  33  -1.707   4.740   4.164
  236   1HB   HIS  33          2HB       HIS  33  -0.180   2.545   2.762
  237   2HB   HIS  33          1HB       HIS  33  -1.694   3.281   2.250
  238    HD1  HIS  33           1HD      HIS  33  -1.534   5.274   0.756
  239    HD2  HIS  33           2HD      HIS  33   2.095   4.324   2.540
  240    HE1  HIS  33           1HE      HIS  33   0.165   6.754  -0.355
  241    HE2  HIS  33           2HE      HIS  33   2.325   6.270   0.848
  242    H    ARG  34           H        ARG  34  -3.402   3.720   5.007
  243    HA   ARG  34           HA       ARG  34  -2.991   1.443   6.731
  244   1HB   ARG  34          2HB       ARG  34  -5.688   2.509   5.965
  245   2HB   ARG  34          1HB       ARG  34  -5.183   1.770   7.477
  246   1HG   ARG  34          2HG       ARG  34  -4.450   4.519   6.492
  247   2HG   ARG  34          1HG       ARG  34  -5.569   4.127   7.798
  248   1HD   ARG  34          2HD       ARG  34  -2.670   3.318   7.828
  249   2HD   ARG  34          1HD       ARG  34  -3.244   4.850   8.486
  250    HE   ARG  34           HE       ARG  34  -4.502   2.417   9.481
  251   1HH1  ARG  34          1HH1      ARG  34  -2.177   4.977  10.011
  252   2HH1  ARG  34          2HH1      ARG  34  -2.103   4.719  11.720
  253   1HH2  ARG  34          1HH2      ARG  34  -4.400   2.087  11.727
  254   2HH2  ARG  34          2HH2      ARG  34  -3.362   3.080  12.694
  255    H    ASN  35           H        ASN  35  -5.046   2.117   3.902
  256    HA   ASN  35           HA       ASN  35  -5.518  -0.693   3.460
  257   1HB   ASN  35          2HB       ASN  35  -6.228   1.714   1.764
  258   2HB   ASN  35          1HB       ASN  35  -6.794   0.070   1.486
  259   1HD2  ASN  35          1HD2      ASN  35  -7.209  -0.616   4.210
  260   2HD2  ASN  35          2HD2      ASN  35  -8.575   0.275   4.770
  261    H    MET  36           H        MET  36  -3.056  -0.867   3.448
  262    HA   MET  36           HA       MET  36  -1.360  -0.038   1.493
  263   1HB   MET  36          2HB       MET  36  -0.306  -1.307   3.084
  264   2HB   MET  36          1HB       MET  36  -1.583  -2.510   3.130
  265   1HG   MET  36          2HG       MET  36  -0.024  -2.399   0.633
  266   2HG   MET  36          1HG       MET  36   0.850  -2.930   2.066
  267   1HE   MET  36          1HE       MET  36   0.324  -4.746  -0.596
  268   2HE   MET  36          2HE       MET  36  -1.224  -3.934  -0.834
  269   3HE   MET  36          3HE       MET  36  -1.173  -5.678  -0.573
  270    H    CYS  37           H        CYS  37  -3.942  -2.363   1.208
  271    HA   CYS  37           HA       CYS  37  -3.093  -3.416  -1.291
  272   1HB   CYS  37          2HB       CYS  37  -5.351  -4.379  -1.438
  273   2HB   CYS  37          1HB       CYS  37  -4.602  -4.695   0.117
  274    H    ALA  38           H        ALA  38  -5.371  -0.876  -0.345
  275    HA   ALA  38           HA       ALA  38  -6.367  -0.181  -2.851
  276   1HB   ALA  38          1HB       ALA  38  -7.445   0.994  -1.219
  277   2HB   ALA  38          2HB       ALA  38  -6.295   2.229  -1.731
  278   3HB   ALA  38          3HB       ALA  38  -5.970   1.265  -0.291
  279    H    LEU  39           H        LEU  39  -3.290   0.326  -1.414
  280    HA   LEU  39           HA       LEU  39  -2.321   2.312  -3.233
  281   1HB   LEU  39          2HB       LEU  39  -1.577   1.337  -0.814
  282   2HB   LEU  39          1HB       LEU  39  -0.432   0.520  -1.845
  283    HG   LEU  39           HG       LEU  39   0.568   2.532  -2.540
  284   1HD1  LEU  39          1HD1      LEU  39  -0.412   4.749  -1.676
  285   2HD1  LEU  39          2HD1      LEU  39  -1.906   3.836  -1.477
  286   3HD1  LEU  39          3HD1      LEU  39  -1.166   3.979  -3.072
  287   1HD2  LEU  39          1HD2      LEU  39  -0.096   2.487   0.381
  288   2HD2  LEU  39          2HD2      LEU  39   0.950   3.732  -0.300
  289   3HD2  LEU  39          3HD2      LEU  39   1.405   2.035  -0.427
  290    H    CYS  40           H        CYS  40  -1.878  -1.148  -2.791
  291    HA   CYS  40           HA       CYS  40  -0.151  -1.530  -4.968
  292   1HB   CYS  40          2HB       CYS  40  -1.885  -3.364  -3.349
  293   2HB   CYS  40          1HB       CYS  40  -0.928  -3.960  -4.705
  294    H    CYS  41           H        CYS  41  -3.618  -1.372  -4.710
  295    HA   CYS  41           HA       CYS  41  -3.992  -2.440  -7.380
  296   1HB   CYS  41          2HB       CYS  41  -6.183  -2.620  -6.846
  297   2HB   CYS  41          1HB       CYS  41  -5.503  -2.609  -5.236
  298    H    GLU  42           H        GLU  42  -4.043   0.638  -5.719
  299    HA   GLU  42           HA       GLU  42  -4.635   1.983  -8.279
  300   1HB   GLU  42          2HB       GLU  42  -6.238   2.318  -6.399
  301   2HB   GLU  42          1HB       GLU  42  -4.957   3.138  -5.516
  302   1HG   GLU  42          2HG       GLU  42  -5.124   5.014  -6.744
  303   2HG   GLU  42          1HG       GLU  42  -5.474   4.138  -8.234
  304    H    HIS  43           H        HIS  43  -1.872   1.186  -7.283
  305    HA   HIS  43           HA       HIS  43  -0.630   3.775  -6.792
  306   1HB   HIS  43          2HB       HIS  43   1.523   2.457  -6.883
  307   2HB   HIS  43          1HB       HIS  43   0.406   1.988  -5.612
  308    HD1  HIS  43           1HD      HIS  43  -0.334   0.749  -9.033
  309    HD2  HIS  43           2HD      HIS  43   1.620  -0.557  -5.609
  310    HE1  HIS  43           1HE      HIS  43   0.041  -1.714  -9.374
  311    HE2  HIS  43           2HE      HIS  43   1.323  -2.461  -7.338
  312    HA   PRO  44           HA       PRO  44   0.535   4.788 -10.905
  313   1HB   PRO  44          2HB       PRO  44   3.350   5.215 -10.227
  314   2HB   PRO  44          1HB       PRO  44   2.114   6.400 -10.651
  315   1HG   PRO  44          2HG       PRO  44   3.130   6.189  -8.153
  316   2HG   PRO  44          1HG       PRO  44   1.463   6.703  -8.468
  317   1HD   PRO  44          2HD       PRO  44   2.492   4.024  -7.601
  318   2HD   PRO  44          1HD       PRO  44   1.049   4.906  -7.053
  319    H    GLY  45           H        GLY  45   3.559   3.343  -9.726
  320   1HA   GLY  45          2HA       GLY  45   3.298   1.229 -11.755
  321   2HA   GLY  45          1HA       GLY  45   4.764   2.201 -11.696
  322    H    GLY  46           H        GLY  46   3.011   1.311  -8.821
  323   1HA   GLY  46          2HA       GLY  46   3.458  -0.662  -7.494
  324   2HA   GLY  46          1HA       GLY  46   5.071  -0.702  -8.192
  325    H    PHE  47           H        PHE  47   2.948   1.179  -6.065
  326    HA   PHE  47           HA       PHE  47   4.750   3.015  -5.075
  327   1HB   PHE  47          2HB       PHE  47   2.218   1.874  -4.194
  328   2HB   PHE  47          1HB       PHE  47   3.254   2.297  -2.837
  329    HD1  PHE  47           1HD      PHE  47   3.397   4.147  -5.997
  330    HD2  PHE  47           2HD      PHE  47   1.784   4.034  -2.067
  331    HE1  PHE  47           1HE      PHE  47   2.698   6.497  -6.219
  332    HE2  PHE  47           2HE      PHE  47   1.080   6.379  -2.278
  333    HZ   PHE  47           HZ       PHE  47   1.537   7.614  -4.358
  334    H    GLU  48           H        GLU  48   6.255   3.067  -3.460
  335    HA   GLU  48           HA       GLU  48   7.350   0.438  -2.692
  336   1HB   GLU  48          2HB       GLU  48   8.748   2.292  -3.753
  337   2HB   GLU  48          1HB       GLU  48   8.591   3.146  -2.224
  338   1HG   GLU  48          2HG       GLU  48   9.966   1.729  -1.122
  339   2HG   GLU  48          1HG       GLU  48   9.548   0.353  -2.139
  340    H    TYR  49           H        TYR  49   6.162  -0.210  -0.932
  341    HA   TYR  49           HA       TYR  49   6.205   1.599   1.378
  342   1HB   TYR  49          2HB       TYR  49   4.294   0.212   2.223
  343   2HB   TYR  49          1HB       TYR  49   3.947   1.193   0.809
  344    HD1  TYR  49           1HD      TYR  49   3.216   0.195  -1.196
  345    HD2  TYR  49           2HD      TYR  49   4.808  -2.218   1.916
  346    HE1  TYR  49           1HE      TYR  49   2.523  -1.817  -2.407
  347    HE2  TYR  49           2HE      TYR  49   4.111  -4.239   0.725
  348    HH   TYR  49           HH       TYR  49   3.604  -4.573  -2.168
  349    H    SER  50           H        SER  50   6.360   0.655   3.432
  350    HA   SER  50           HA       SER  50   7.606  -1.989   3.552
  351   1HB   SER  50          2HB       SER  50   9.418  -1.240   4.949
  352   2HB   SER  50          1HB       SER  50   9.431  -0.271   3.477
  353    HG   SER  50           HG       SER  50   9.410   0.632   5.900
  354    H    ASN  51           H        ASN  51   6.016  -2.939   4.621
  355    HA   ASN  51           HA       ASN  51   4.274  -1.806   6.416
  356   1HB   ASN  51          2HB       ASN  51   5.187  -4.667   6.578
  357   2HB   ASN  51          1HB       ASN  51   3.649  -3.986   7.104
  358   1HD2  ASN  51          1HD2      ASN  51   2.107  -3.423   5.563
  359   2HD2  ASN  51          2HD2      ASN  51   2.176  -4.010   3.940
  360    H    GLY  52           H        GLY  52   4.297  -1.184   8.380
  361   1HA   GLY  52          2HA       GLY  52   5.148  -1.966  10.692
  362   2HA   GLY  52          1HA       GLY  52   6.726  -1.650   9.989
  363    HA   PRO  53           HA       PRO  53   4.598   2.289  11.749
  364   1HB   PRO  53          2HB       PRO  53   5.501   2.304  14.306
  365   2HB   PRO  53          1HB       PRO  53   3.969   1.556  13.842
  366   1HG   PRO  53          2HG       PRO  53   6.628   0.275  14.338
  367   2HG   PRO  53          1HG       PRO  53   5.015  -0.259  14.847
  368   1HD   PRO  53          2HD       PRO  53   6.307  -1.316  12.706
  369   2HD   PRO  53          1HD       PRO  53   4.538  -1.191  12.797
  370    H    CYS  54           H        CYS  54   6.394   2.655  10.135
  371    HA   CYS  54           HA       CYS  54   8.820   3.649  11.472
  372   1HB   CYS  54          2HB       CYS  54   9.621   3.579   8.925
  373   2HB   CYS  54          1HB       CYS  54   9.759   2.196   9.999
  374    H    GLU  55           H        GLU  55   6.032   4.571   9.788
  375    HA   GLU  55           HA       GLU  55   7.101   7.289   9.494
  376   1HB   GLU  55          2HB       GLU  55   6.718   5.785   7.324
  377   2HB   GLU  55          1HB       GLU  55   5.071   6.356   7.529
  378   1HG   GLU  55          2HG       GLU  55   7.488   8.136   7.326
  379   2HG   GLU  55          1HG       GLU  55   6.417   7.732   5.984
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1  11.330  -2.421  -6.293
    2   2H    ALA   1          2H        ALA   1  11.517  -3.834  -7.251
    3   3H    ALA   1          3H        ALA   1  11.900  -3.871  -5.579
    4    HA   ALA   1           HA       ALA   1   9.219  -3.178  -6.510
    5   1HB   ALA   1          1HB       ALA   1   9.741  -5.973  -5.710
    6   2HB   ALA   1          2HB       ALA   1  10.297  -5.494  -7.314
    7   3HB   ALA   1          3HB       ALA   1   8.596  -5.318  -6.881
    8    H    HIS   2           H        HIS   2   9.002  -1.885  -4.676
    9    HA   HIS   2           HA       HIS   2   9.114  -3.326  -2.112
   10   1HB   HIS   2          2HB       HIS   2   9.690  -0.472  -2.818
   11   2HB   HIS   2          1HB       HIS   2   9.151  -0.876  -1.194
   12    HD1  HIS   2           1HD      HIS   2  11.833  -2.172  -3.573
   13    HD2  HIS   2           2HD      HIS   2  11.250  -1.284   0.444
   14    HE1  HIS   2           1HE      HIS   2  14.041  -2.621  -2.457
   15    HE2  HIS   2           2HE      HIS   2  13.691  -1.980  -0.047
   16    H    MET   3           H        MET   3   6.985  -3.834  -3.466
   17    HA   MET   3           HA       MET   3   4.845  -2.461  -2.038
   18   1HB   MET   3          2HB       MET   3   4.758  -1.284  -4.077
   19   2HB   MET   3          1HB       MET   3   5.083  -2.723  -5.025
   20   1HG   MET   3          2HG       MET   3   2.662  -3.151  -3.614
   21   2HG   MET   3          1HG       MET   3   2.591  -1.553  -4.344
   22   1HE   MET   3          1HE       MET   3   4.123  -4.912  -6.939
   23   2HE   MET   3          2HE       MET   3   3.134  -5.581  -5.640
   24   3HE   MET   3          3HE       MET   3   4.534  -4.579  -5.258
   25    H    ASP   4           H        ASP   4   3.000  -3.730  -1.660
   26    HA   ASP   4           HA       ASP   4   3.076  -6.517  -2.584
   27   1HB   ASP   4          2HB       ASP   4   4.016  -6.195  -0.195
   28   2HB   ASP   4          1HB       ASP   4   2.353  -5.867   0.270
   29    H    CYS   5           H        CYS   5   1.273  -6.691  -3.757
   30    HA   CYS   5           HA       CYS   5  -1.135  -5.261  -2.957
   31   1HB   CYS   5          2HB       CYS   5  -0.194  -5.434  -5.373
   32   2HB   CYS   5          1HB       CYS   5  -0.902  -7.045  -5.370
   33    H    THR   6           H        THR   6  -3.261  -6.595  -3.339
   34    HA   THR   6           HA       THR   6  -3.335  -8.586  -1.377
   35    HB   THR   6           HB       THR   6  -5.352  -7.417  -1.798
   36    HG1  THR   6           1HG      THR   6  -5.601  -9.713  -1.478
   37   1HG2  THR   6          1HG2      THR   6  -6.067  -6.701  -3.765
   38   2HG2  THR   6          2HG2      THR   6  -6.072  -8.334  -4.430
   39   3HG2  THR   6          3HG2      THR   6  -4.597  -7.371  -4.468
   40    H    GLU   7           H        GLU   7  -5.094  -9.997  -3.993
   41    HA   GLU   7           HA       GLU   7  -3.100 -11.322  -5.388
   42   1HB   GLU   7          2HB       GLU   7  -2.563 -13.212  -4.236
   43   2HB   GLU   7          1HB       GLU   7  -2.827 -12.131  -2.880
   44   1HG   GLU   7          2HG       GLU   7  -5.284 -13.072  -3.052
   45   2HG   GLU   7          1HG       GLU   7  -4.456 -14.423  -3.826
   46    H    PHE   8           H        PHE   8  -5.892 -10.256  -5.533
   47    HA   PHE   8           HA       PHE   8  -7.010 -12.628  -6.879
   48   1HB   PHE   8          2HB       PHE   8  -9.319 -11.587  -6.137
   49   2HB   PHE   8          1HB       PHE   8  -8.441 -12.696  -5.094
   50    HD1  PHE   8           1HD      PHE   8  -8.554 -12.136  -2.890
   51    HD2  PHE   8           2HD      PHE   8  -8.321  -9.017  -5.777
   52    HE1  PHE   8           1HE      PHE   8  -8.604 -10.467  -1.084
   53    HE2  PHE   8           2HE      PHE   8  -8.365  -7.343  -3.972
   54    HZ   PHE   8           HZ       PHE   8  -8.508  -8.067  -1.624
   55    H    ASN   9           H        ASN   9  -9.144 -11.769  -8.126
   56    HA   ASN   9           HA       ASN   9  -8.103 -10.062 -10.144
   57   1HB   ASN   9          2HB       ASN   9 -11.039 -10.510 -10.034
   58   2HB   ASN   9          1HB       ASN   9  -9.932 -10.636 -11.391
   59   1HD2  ASN   9          1HD2      ASN   9  -8.090 -12.424 -10.260
   60   2HD2  ASN   9          2HD2      ASN   9  -8.863 -13.961 -10.096
   61    HA   PRO  10           HA       PRO  10 -11.233  -6.801  -8.445
   62   1HB   PRO  10          2HB       PRO  10 -12.317  -7.283  -5.992
   63   2HB   PRO  10          1HB       PRO  10 -13.103  -7.770  -7.498
   64   1HG   PRO  10          2HG       PRO  10 -11.452  -9.401  -5.607
   65   2HG   PRO  10          1HG       PRO  10 -12.969  -9.828  -6.423
   66   1HD   PRO  10          2HD       PRO  10 -10.570 -10.687  -7.306
   67   2HD   PRO  10          1HD       PRO  10 -11.908 -10.321  -8.410
   68    H    LEU  11           H        LEU  11  -9.072  -5.964  -8.289
   69    HA   LEU  11           HA       LEU  11  -7.268  -6.214  -6.250
   70   1HB   LEU  11          2HB       LEU  11  -6.485  -3.927  -6.859
   71   2HB   LEU  11          1HB       LEU  11  -6.601  -5.079  -8.168
   72    HG   LEU  11           HG       LEU  11  -7.420  -2.589  -8.455
   73   1HD1  LEU  11          1HD1      LEU  11  -9.367  -4.461  -9.617
   74   2HD1  LEU  11          2HD1      LEU  11  -7.669  -4.849  -9.893
   75   3HD1  LEU  11          3HD1      LEU  11  -8.309  -3.284 -10.396
   76   1HD2  LEU  11          1HD2      LEU  11  -9.002  -2.645  -6.583
   77   2HD2  LEU  11          2HD2      LEU  11  -9.899  -3.934  -7.386
   78   3HD2  LEU  11          3HD2      LEU  11  -9.811  -2.332  -8.119
   79    H    CYS  12           H        CYS  12  -6.678  -3.858  -5.129
   80    HA   CYS  12           HA       CYS  12  -7.321  -3.756  -2.683
   81   1HB   CYS  12          2HB       CYS  12  -7.229  -1.405  -2.536
   82   2HB   CYS  12          1HB       CYS  12  -6.222  -1.882  -3.891
   83    H    ARG  13           H        ARG  13  -9.398  -5.089  -3.033
   84    HA   ARG  13           HA       ARG  13 -11.758  -3.365  -2.755
   85   1HB   ARG  13          2HB       ARG  13 -11.407  -6.307  -3.291
   86   2HB   ARG  13          1HB       ARG  13 -12.948  -5.664  -2.739
   87   1HG   ARG  13          2HG       ARG  13 -12.259  -3.990  -4.821
   88   2HG   ARG  13          1HG       ARG  13 -11.734  -5.581  -5.372
   89   1HD   ARG  13          2HD       ARG  13 -13.889  -5.694  -6.069
   90   2HD   ARG  13          1HD       ARG  13 -14.137  -6.241  -4.411
   91    HE   ARG  13           HE       ARG  13 -15.409  -4.386  -4.088
   92   1HH1  ARG  13          1HH1      ARG  13 -13.165  -3.710  -6.674
   93   2HH1  ARG  13          2HH1      ARG  13 -13.778  -2.116  -6.958
   94   1HH2  ARG  13          1HH2      ARG  13 -16.217  -2.289  -4.460
   95   2HH2  ARG  13          2HH2      ARG  13 -15.510  -1.308  -5.699
   96    H    CYS  14           H        CYS  14  -9.914  -3.198  -0.748
   97    HA   CYS  14           HA       CYS  14 -11.290  -4.518   1.471
   98   1HB   CYS  14          2HB       CYS  14  -9.344  -5.190   2.472
   99   2HB   CYS  14          1HB       CYS  14  -8.868  -5.315   0.788
  100    H    ASN  15           H        ASN  15 -12.356  -3.044   2.515
  101    HA   ASN  15           HA       ASN  15 -11.503  -0.275   2.601
  102   1HB   ASN  15          2HB       ASN  15 -13.969  -1.681   2.912
  103   2HB   ASN  15          1HB       ASN  15 -13.677  -0.762   4.380
  104   1HD2  ASN  15          1HD2      ASN  15 -12.253   1.380   3.199
  105   2HD2  ASN  15          2HD2      ASN  15 -13.375   2.305   2.266
  106    H    LYS  16           H        LYS  16 -11.887  -2.999   4.722
  107    HA   LYS  16           HA       LYS  16 -11.660  -2.474   7.211
  108   1HB   LYS  16          2HB       LYS  16 -11.109  -4.671   6.274
  109   2HB   LYS  16          1HB       LYS  16  -9.507  -4.087   5.842
  110   1HG   LYS  16          2HG       LYS  16  -8.747  -4.646   7.839
  111   2HG   LYS  16          1HG       LYS  16  -9.921  -3.574   8.604
  112   1HD   LYS  16          2HD       LYS  16 -10.150  -5.853   9.440
  113   2HD   LYS  16          1HD       LYS  16 -11.590  -5.365   8.546
  114   1HE   LYS  16          2HE       LYS  16 -11.334  -7.025   7.084
  115   2HE   LYS  16          1HE       LYS  16  -9.649  -6.591   6.795
  116   1HZ   LYS  16          1HZ       LYS  16  -8.918  -7.997   8.467
  117   2HZ   LYS  16          2HZ       LYS  16 -10.175  -8.887   7.768
  118   3HZ   LYS  16          3HZ       LYS  16 -10.428  -8.070   9.227
  119    H    MET  17           H        MET  17 -11.025  -0.073   6.660
  120    HA   MET  17           HA       MET  17  -8.251   0.596   6.735
  121   1HB   MET  17          2HB       MET  17 -10.370   1.970   6.042
  122   2HB   MET  17          1HB       MET  17 -10.345   2.447   7.732
  123   1HG   MET  17          2HG       MET  17  -8.037   3.247   7.444
  124   2HG   MET  17          1HG       MET  17  -8.131   2.840   5.732
  125   1HE   MET  17          1HE       MET  17 -10.702   6.059   7.789
  126   2HE   MET  17          2HE       MET  17  -9.782   4.795   8.606
  127   3HE   MET  17          3HE       MET  17 -11.253   4.385   7.721
  128    H    LEU  18           H        LEU  18  -8.339  -1.142   8.596
  129    HA   LEU  18           HA       LEU  18  -7.522   0.232  10.954
  130   1HB   LEU  18          2HB       LEU  18  -9.107  -1.232  12.388
  131   2HB   LEU  18          1HB       LEU  18  -9.713   0.253  11.681
  132    HG   LEU  18           HG       LEU  18 -10.467  -1.369   9.735
  133   1HD1  LEU  18          1HD1      LEU  18  -9.516  -3.395  10.526
  134   2HD1  LEU  18          2HD1      LEU  18 -11.259  -3.520  10.756
  135   3HD1  LEU  18          3HD1      LEU  18 -10.211  -3.171  12.130
  136   1HD2  LEU  18          1HD2      LEU  18 -11.842  -0.980  12.384
  137   2HD2  LEU  18          2HD2      LEU  18 -12.632  -1.677  10.969
  138   3HD2  LEU  18          3HD2      LEU  18 -12.029  -0.022  10.915
  139    H    GLY  19           H        GLY  19  -5.848  -1.091   9.569
  140   1HA   GLY  19          2HA       GLY  19  -5.434  -3.597  11.051
  141   2HA   GLY  19          1HA       GLY  19  -5.311  -3.608   9.298
  142    H    ASP  20           H        ASP  20  -3.297  -3.539   8.578
  143    HA   ASP  20           HA       ASP  20  -1.126  -2.805  10.285
  144   1HB   ASP  20          2HB       ASP  20  -0.810  -3.193   7.335
  145   2HB   ASP  20          1HB       ASP  20   0.271  -3.648   8.638
  146    H    LEU  21           H        LEU  21   0.644  -1.387   9.311
  147    HA   LEU  21           HA       LEU  21  -0.481   1.011   8.072
  148   1HB   LEU  21          2HB       LEU  21   0.487   2.409   9.650
  149   2HB   LEU  21          1HB       LEU  21  -0.165   1.093  10.602
  150    HG   LEU  21           HG       LEU  21   2.735   1.507   9.885
  151   1HD1  LEU  21          1HD1      LEU  21   1.375   1.581  12.565
  152   2HD1  LEU  21          2HD1      LEU  21   1.786   3.010  11.616
  153   3HD1  LEU  21          3HD1      LEU  21   3.063   1.947  12.207
  154   1HD2  LEU  21          1HD2      LEU  21   1.261  -0.781  11.101
  155   2HD2  LEU  21          2HD2      LEU  21   2.886  -0.405  11.674
  156   3HD2  LEU  21          3HD2      LEU  21   2.617  -0.790   9.975
  157    H    ILE  22           H        ILE  22   0.425   0.817   6.098
  158    HA   ILE  22           HA       ILE  22   3.244   0.130   5.867
  159    HB   ILE  22           HB       ILE  22   1.991  -1.045   4.299
  160   1HG1  ILE  22          2HG1      ILE  22   3.942   0.584   3.433
  161   2HG1  ILE  22          1HG1      ILE  22   3.095  -0.537   2.372
  162   1HG2  ILE  22          1HG2      ILE  22  -0.116  -0.032   4.383
  163   2HG2  ILE  22          2HG2      ILE  22   0.415   0.144   2.710
  164   3HG2  ILE  22          3HG2      ILE  22   0.515   1.514   3.816
  165   1HD1  ILE  22          1HD1      ILE  22   2.294   2.340   2.742
  166   2HD1  ILE  22          2HD1      ILE  22   1.700   1.203   1.532
  167   3HD1  ILE  22          3HD1      ILE  22   3.369   1.770   1.465
  168    H    CYS  23           H        CYS  23   4.811   1.447   5.077
  169    HA   CYS  23           HA       CYS  23   4.084   4.296   4.830
  170   1HB   CYS  23          2HB       CYS  23   5.726   3.498   6.652
  171   2HB   CYS  23          1HB       CYS  23   6.868   3.261   5.335
  172    H    ALA  24           H        ALA  24   3.530   4.137   2.621
  173    HA   ALA  24           HA       ALA  24   5.421   3.130   0.722
  174   1HB   ALA  24          1HB       ALA  24   3.293   4.783  -0.362
  175   2HB   ALA  24          2HB       ALA  24   2.722   3.496   0.697
  176   3HB   ALA  24          3HB       ALA  24   3.717   3.106  -0.703
  177    H    VAL  25           H        VAL  25   6.223   4.348  -1.064
  178    HA   VAL  25           HA       VAL  25   6.528   7.220  -0.711
  179    HB   VAL  25           HB       VAL  25   8.981   5.490  -1.010
  180   1HG1  VAL  25          1HG1      VAL  25   9.332   7.662  -1.896
  181   2HG1  VAL  25          2HG1      VAL  25  10.099   7.633  -0.307
  182   3HG1  VAL  25          3HG1      VAL  25   8.537   8.426  -0.519
  183   1HG2  VAL  25          1HG2      VAL  25   8.285   4.965   1.158
  184   2HG2  VAL  25          2HG2      VAL  25   7.689   6.597   1.461
  185   3HG2  VAL  25          3HG2      VAL  25   9.424   6.291   1.389
  186    H    ILE  26           H        ILE  26   7.050   8.310  -2.570
  187    HA   ILE  26           HA       ILE  26   7.445   6.752  -5.020
  188    HB   ILE  26           HB       ILE  26   5.767   8.846  -5.796
  189   1HG1  ILE  26          2HG1      ILE  26   5.094   8.908  -3.345
  190   2HG1  ILE  26          1HG1      ILE  26   3.782   8.684  -4.497
  191   1HG2  ILE  26          1HG2      ILE  26   5.573   5.883  -5.647
  192   2HG2  ILE  26          2HG2      ILE  26   5.643   6.943  -7.054
  193   3HG2  ILE  26          3HG2      ILE  26   4.153   6.814  -6.122
  194   1HD1  ILE  26          1HD1      ILE  26   3.169   6.831  -3.467
  195   2HD1  ILE  26          2HD1      ILE  26   4.438   7.101  -2.272
  196   3HD1  ILE  26          3HD1      ILE  26   4.771   6.132  -3.706
  197    H    GLY  27           H        GLY  27   9.553   7.552  -4.995
  198   1HA   GLY  27          2HA       GLY  27  11.212   8.930  -5.787
  199   2HA   GLY  27          1HA       GLY  27   9.947   9.970  -6.423
  200    H    ASP  28           H        ASP  28   8.659  10.984  -4.453
  201    HA   ASP  28           HA       ASP  28  10.386  11.826  -2.291
  202   1HB   ASP  28          2HB       ASP  28   9.304  13.840  -4.277
  203   2HB   ASP  28          1HB       ASP  28  10.157  14.224  -2.784
  204    H    ALA  29           H        ALA  29   7.760  10.450  -2.804
  205    HA   ALA  29           HA       ALA  29   6.122  12.191  -1.073
  206   1HB   ALA  29          1HB       ALA  29   4.250  10.670  -2.321
  207   2HB   ALA  29          2HB       ALA  29   5.434  10.883  -3.612
  208   3HB   ALA  29          3HB       ALA  29   4.720  12.292  -2.828
  209    H    LYS  30           H        LYS  30   7.200  11.000   0.650
  210    HA   LYS  30           HA       LYS  30   6.420   8.203   0.913
  211   1HB   LYS  30          2HB       LYS  30   7.855   8.390   3.038
  212   2HB   LYS  30          1HB       LYS  30   8.671   8.462   1.483
  213   1HG   LYS  30          2HG       LYS  30   7.836  11.028   2.705
  214   2HG   LYS  30          1HG       LYS  30   9.188  10.168   3.442
  215   1HD   LYS  30          2HD       LYS  30   9.128  10.568   0.481
  216   2HD   LYS  30          1HD       LYS  30   9.614  11.900   1.532
  217   1HE   LYS  30          2HE       LYS  30  11.532  10.855   2.201
  218   2HE   LYS  30          1HE       LYS  30  10.852   9.241   1.996
  219   1HZ   LYS  30          1HZ       LYS  30  11.230  10.835  -0.417
  220   2HZ   LYS  30          2HZ       LYS  30  11.428   9.173  -0.176
  221   3HZ   LYS  30          3HZ       LYS  30  12.628  10.250   0.337
  222    H    GLU  31           H        GLU  31   4.533   7.768   1.812
  223    HA   GLU  31           HA       GLU  31   3.746   9.188   4.244
  224   1HB   GLU  31          2HB       GLU  31   2.495   9.561   1.705
  225   2HB   GLU  31          1HB       GLU  31   1.369   8.703   2.748
  226   1HG   GLU  31          2HG       GLU  31   2.756  11.273   3.473
  227   2HG   GLU  31          1HG       GLU  31   1.121  11.156   2.827
  228    H    GLU  32           H        GLU  32   1.862   8.042   5.325
  229    HA   GLU  32           HA       GLU  32   2.276   5.150   5.043
  230   1HB   GLU  32          2HB       GLU  32   1.783   6.938   7.343
  231   2HB   GLU  32          1HB       GLU  32   0.978   5.376   7.403
  232   1HG   GLU  32          2HG       GLU  32   3.414   4.544   6.735
  233   2HG   GLU  32          1HG       GLU  32   3.856   6.039   7.557
  234    H    HIS  33           H        HIS  33   0.479   3.712   5.229
  235    HA   HIS  33           HA       HIS  33  -2.195   4.816   5.068
  236   1HB   HIS  33          2HB       HIS  33  -1.706   2.921   2.863
  237   2HB   HIS  33          1HB       HIS  33  -2.702   4.368   2.904
  238    HD1  HIS  33           1HD      HIS  33   1.073   3.876   3.140
  239    HD2  HIS  33           2HD      HIS  33  -1.770   5.987   0.978
  240    HE1  HIS  33           1HE      HIS  33   2.370   5.300   1.529
  241    HE2  HIS  33           2HE      HIS  33   0.636   6.657   0.313
  242    H    ARG  34           H        ARG  34  -3.738   3.415   5.754
  243    HA   ARG  34           HA       ARG  34  -2.802   0.923   6.902
  244   1HB   ARG  34          2HB       ARG  34  -5.516   2.250   6.974
  245   2HB   ARG  34          1HB       ARG  34  -5.093   0.781   7.843
  246   1HG   ARG  34          2HG       ARG  34  -3.196   2.270   8.846
  247   2HG   ARG  34          1HG       ARG  34  -4.254   3.592   8.353
  248   1HD   ARG  34          2HD       ARG  34  -5.102   3.246  10.430
  249   2HD   ARG  34          1HD       ARG  34  -6.065   2.059   9.555
  250    HE   ARG  34           HE       ARG  34  -4.803   0.345  10.509
  251   1HH1  ARG  34          1HH1      ARG  34  -3.625   3.480  11.509
  252   2HH1  ARG  34          2HH1      ARG  34  -2.686   2.843  12.815
  253   1HH2  ARG  34          1HH2      ARG  34  -3.567  -0.486  12.221
  254   2HH2  ARG  34          2HH2      ARG  34  -2.649   0.594  13.219
  255    H    ASN  35           H        ASN  35  -4.836   2.052   4.291
  256    HA   ASN  35           HA       ASN  35  -5.740  -0.618   3.628
  257   1HB   ASN  35          2HB       ASN  35  -6.207   2.099   2.406
  258   2HB   ASN  35          1HB       ASN  35  -6.742   0.620   1.613
  259   1HD2  ASN  35          1HD2      ASN  35  -7.649  -0.896   3.649
  260   2HD2  ASN  35          2HD2      ASN  35  -8.984  -0.128   4.429
  261    H    MET  36           H        MET  36  -3.225  -0.996   3.560
  262    HA   MET  36           HA       MET  36  -1.570  -0.234   1.525
  263   1HB   MET  36          2HB       MET  36  -0.858  -1.692   3.339
  264   2HB   MET  36          1HB       MET  36  -1.876  -2.990   2.730
  265   1HG   MET  36          2HG       MET  36  -0.464  -2.769   0.577
  266   2HG   MET  36          1HG       MET  36   0.677  -1.913   1.614
  267   1HE   MET  36          1HE       MET  36  -1.370  -4.966   0.957
  268   2HE   MET  36          2HE       MET  36  -1.527  -5.290   2.684
  269   3HE   MET  36          3HE       MET  36  -0.493  -6.313   1.685
  270    H    CYS  37           H        CYS  37  -4.353  -2.339   1.340
  271    HA   CYS  37           HA       CYS  37  -3.736  -3.465  -1.188
  272   1HB   CYS  37          2HB       CYS  37  -5.959  -4.302  -1.236
  273   2HB   CYS  37          1HB       CYS  37  -5.457  -4.356   0.448
  274    H    ALA  38           H        ALA  38  -5.653  -0.671  -0.185
  275    HA   ALA  38           HA       ALA  38  -6.464   0.160  -2.750
  276   1HB   ALA  38          1HB       ALA  38  -7.437   0.972  -0.610
  277   2HB   ALA  38          2HB       ALA  38  -7.025   2.260  -1.741
  278   3HB   ALA  38          3HB       ALA  38  -5.976   1.927  -0.362
  279    H    LEU  39           H        LEU  39  -3.428   0.262  -1.204
  280    HA   LEU  39           HA       LEU  39  -2.404   2.441  -2.799
  281   1HB   LEU  39          2HB       LEU  39  -1.624   1.023  -0.459
  282   2HB   LEU  39          1HB       LEU  39  -0.325   0.869  -1.614
  283    HG   LEU  39           HG       LEU  39  -1.218   3.217  -0.085
  284   1HD1  LEU  39          1HD1      LEU  39   1.358   3.588  -0.964
  285   2HD1  LEU  39          2HD1      LEU  39   1.222   1.835  -0.837
  286   3HD1  LEU  39          3HD1      LEU  39   0.875   2.852   0.562
  287   1HD2  LEU  39          1HD2      LEU  39  -0.059   4.638  -1.981
  288   2HD2  LEU  39          2HD2      LEU  39  -1.795   4.328  -2.000
  289   3HD2  LEU  39          3HD2      LEU  39  -0.717   3.370  -3.015
  290    H    CYS  40           H        CYS  40  -2.077  -1.052  -2.618
  291    HA   CYS  40           HA       CYS  40  -0.221  -1.333  -4.709
  292   1HB   CYS  40          2HB       CYS  40  -0.566  -3.632  -4.531
  293   2HB   CYS  40          1HB       CYS  40  -0.981  -3.052  -2.923
  294    H    CYS  41           H        CYS  41  -3.718  -1.076  -4.637
  295    HA   CYS  41           HA       CYS  41  -3.978  -1.762  -7.432
  296   1HB   CYS  41          2HB       CYS  41  -6.201  -1.853  -7.051
  297   2HB   CYS  41          1HB       CYS  41  -5.662  -1.998  -5.394
  298    H    GLU  42           H        GLU  42  -3.982   1.125  -5.448
  299    HA   GLU  42           HA       GLU  42  -4.461   2.804  -7.801
  300   1HB   GLU  42          2HB       GLU  42  -5.564   2.958  -5.371
  301   2HB   GLU  42          1HB       GLU  42  -4.184   4.016  -5.111
  302   1HG   GLU  42          2HG       GLU  42  -5.508   5.615  -5.917
  303   2HG   GLU  42          1HG       GLU  42  -5.127   4.926  -7.494
  304    H    HIS  43           H        HIS  43  -1.764   1.494  -6.881
  305    HA   HIS  43           HA       HIS  43  -0.119   3.817  -6.415
  306   1HB   HIS  43          2HB       HIS  43   1.788   2.241  -6.636
  307   2HB   HIS  43          1HB       HIS  43   0.607   1.728  -5.440
  308    HD1  HIS  43           1HD      HIS  43  -0.133   1.080  -9.046
  309    HD2  HIS  43           2HD      HIS  43   1.428  -0.932  -5.767
  310    HE1  HIS  43           1HE      HIS  43  -0.045  -1.334  -9.724
  311    HE2  HIS  43           2HE      HIS  43   0.778  -2.548  -7.680
  312    HA   PRO  44           HA       PRO  44   0.901   5.014 -10.518
  313   1HB   PRO  44          2HB       PRO  44   3.783   4.894  -9.898
  314   2HB   PRO  44          1HB       PRO  44   2.790   6.282 -10.350
  315   1HG   PRO  44          2HG       PRO  44   3.711   5.973  -7.852
  316   2HG   PRO  44          1HG       PRO  44   2.116   6.678  -8.176
  317   1HD   PRO  44          2HD       PRO  44   2.818   3.909  -7.275
  318   2HD   PRO  44          1HD       PRO  44   1.485   4.960  -6.753
  319    H    GLY  45           H        GLY  45   2.821   2.375  -9.178
  320   1HA   GLY  45          2HA       GLY  45   2.335   0.500 -11.104
  321   2HA   GLY  45          1HA       GLY  45   3.703   1.408 -11.733
  322    H    GLY  46           H        GLY  46   2.907   0.463  -8.400
  323   1HA   GLY  46          2HA       GLY  46   3.964  -1.056  -6.998
  324   2HA   GLY  46          1HA       GLY  46   4.988  -1.539  -8.341
  325    H    PHE  47           H        PHE  47   4.443   1.515  -6.595
  326    HA   PHE  47           HA       PHE  47   7.114   2.373  -6.781
  327   1HB   PHE  47          2HB       PHE  47   6.385   3.922  -4.848
  328   2HB   PHE  47          1HB       PHE  47   5.532   4.056  -6.378
  329    HD1  PHE  47           1HD      PHE  47   3.605   5.090  -5.376
  330    HD2  PHE  47           2HD      PHE  47   4.908   1.243  -4.104
  331    HE1  PHE  47           1HE      PHE  47   1.458   4.741  -4.233
  332    HE2  PHE  47           2HE      PHE  47   2.767   0.891  -2.961
  333    HZ   PHE  47           HZ       PHE  47   1.039   2.636  -3.026
  334    H    GLU  48           H        GLU  48   6.611   2.792  -3.518
  335    HA   GLU  48           HA       GLU  48   7.798   0.216  -2.773
  336   1HB   GLU  48          2HB       GLU  48   9.541   1.426  -1.413
  337   2HB   GLU  48          1HB       GLU  48   9.758   1.526  -3.155
  338   1HG   GLU  48          2HG       GLU  48   8.177   3.719  -2.096
  339   2HG   GLU  48          1HG       GLU  48   9.785   3.627  -1.382
  340    H    TYR  49           H        TYR  49   8.117   0.181  -0.292
  341    HA   TYR  49           HA       TYR  49   6.371   1.817   1.301
  342   1HB   TYR  49          2HB       TYR  49   4.920   0.021   2.044
  343   2HB   TYR  49          1HB       TYR  49   4.681   0.399   0.353
  344    HD1  TYR  49           1HD      TYR  49   7.664  -1.444   0.623
  345    HD2  TYR  49           2HD      TYR  49   3.439  -1.882   0.765
  346    HE1  TYR  49           1HE      TYR  49   7.902  -3.823   0.115
  347    HE2  TYR  49           2HE      TYR  49   3.663  -4.262   0.252
  348    HH   TYR  49           HH       TYR  49   6.165  -5.638  -1.064
  349    H    SER  50           H        SER  50   6.201   1.046   3.494
  350    HA   SER  50           HA       SER  50   8.399  -0.651   4.375
  351   1HB   SER  50          2HB       SER  50   8.095   1.877   5.877
  352   2HB   SER  50          1HB       SER  50   9.539   0.923   5.547
  353    HG   SER  50           HG       SER  50   8.317   2.908   4.000
  354    H    ASN  51           H        ASN  51   6.533  -1.944   4.748
  355    HA   ASN  51           HA       ASN  51   4.364  -1.318   6.307
  356   1HB   ASN  51          2HB       ASN  51   5.721  -4.007   6.344
  357   2HB   ASN  51          1HB       ASN  51   4.032  -3.645   6.696
  358   1HD2  ASN  51          1HD2      ASN  51   2.627  -3.179   5.011
  359   2HD2  ASN  51          2HD2      ASN  51   3.013  -3.533   3.365
  360    H    GLY  52           H        GLY  52   3.975  -0.963   8.313
  361   1HA   GLY  52          2HA       GLY  52   4.340  -1.520  10.673
  362   2HA   GLY  52          1HA       GLY  52   6.058  -1.591  10.316
  363    HA   PRO  53           HA       PRO  53   5.033   2.544  12.292
  364   1HB   PRO  53          2HB       PRO  53   7.503   2.605  13.563
  365   2HB   PRO  53          1HB       PRO  53   5.992   2.055  14.295
  366   1HG   PRO  53          2HG       PRO  53   8.202   0.459  13.076
  367   2HG   PRO  53          1HG       PRO  53   7.227   0.113  14.517
  368   1HD   PRO  53          2HD       PRO  53   6.765  -1.133  12.191
  369   2HD   PRO  53          1HD       PRO  53   5.431  -0.664  13.265
  370    H    CYS  54           H        CYS  54   5.574   4.421  11.358
  371    HA   CYS  54           HA       CYS  54   8.165   4.950  10.277
  372   1HB   CYS  54          2HB       CYS  54   7.329   3.575   8.451
  373   2HB   CYS  54          1HB       CYS  54   5.863   4.544   8.355
  374    H    GLU  55           H        GLU  55   4.916   6.027   9.289
  375    HA   GLU  55           HA       GLU  55   5.586   8.768   9.428
  376   1HB   GLU  55          2HB       GLU  55   3.778   7.955   8.004
  377   2HB   GLU  55          1HB       GLU  55   2.873   7.426   9.416
  378   1HG   GLU  55          2HG       GLU  55   3.638  10.259   9.423
  379   2HG   GLU  55          1HG       GLU  55   2.516   9.787   8.147
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  10.890  -0.877   0.206
    2   2H    ALA   1          2H        ALA   1   9.240  -1.347   0.255
    3   3H    ALA   1          3H        ALA   1   9.683   0.163  -0.427
    4    HA   ALA   1           HA       ALA   1  10.809  -0.885  -2.189
    5   1HB   ALA   1          1HB       ALA   1  10.307  -3.501  -2.245
    6   2HB   ALA   1          2HB       ALA   1  10.387  -3.277  -0.496
    7   3HB   ALA   1          3HB       ALA   1  11.761  -2.828  -1.507
    8    H    HIS   2           H        HIS   2   9.556  -0.520  -3.881
    9    HA   HIS   2           HA       HIS   2   6.722  -0.561  -3.708
   10   1HB   HIS   2          2HB       HIS   2   6.909  -0.136  -6.243
   11   2HB   HIS   2          1HB       HIS   2   7.574   1.077  -5.155
   12    HD1  HIS   2           1HD      HIS   2   9.037   1.786  -7.271
   13    HD2  HIS   2           2HD      HIS   2   9.894  -1.934  -5.638
   14    HE1  HIS   2           1HE      HIS   2  11.286   1.148  -8.198
   15    HE2  HIS   2           2HE      HIS   2  11.755  -1.138  -7.249
   16    H    MET   3           H        MET   3   6.599  -2.866  -3.030
   17    HA   MET   3           HA       MET   3   5.651  -4.436  -5.202
   18   1HB   MET   3          2HB       MET   3   8.097  -4.720  -5.521
   19   2HB   MET   3          1HB       MET   3   8.192  -5.450  -3.924
   20   1HG   MET   3          2HG       MET   3   8.112  -7.289  -5.298
   21   2HG   MET   3          1HG       MET   3   6.422  -7.098  -4.837
   22   1HE   MET   3          1HE       MET   3   9.043  -7.285  -7.184
   23   2HE   MET   3          2HE       MET   3   8.545  -6.584  -8.723
   24   3HE   MET   3          3HE       MET   3   8.030  -8.214  -8.289
   25    H    ASP   4           H        ASP   4   3.825  -5.006  -4.139
   26    HA   ASP   4           HA       ASP   4   3.813  -7.161  -2.388
   27   1HB   ASP   4          2HB       ASP   4   4.699  -5.266  -0.848
   28   2HB   ASP   4          1HB       ASP   4   3.026  -4.719  -0.828
   29    H    CYS   5           H        CYS   5   2.387  -6.051  -4.689
   30    HA   CYS   5           HA       CYS   5  -0.319  -5.569  -3.736
   31   1HB   CYS   5          2HB       CYS   5   0.866  -4.512  -5.825
   32   2HB   CYS   5          1HB       CYS   5   0.393  -6.009  -6.619
   33    H    THR   6           H        THR   6  -2.089  -6.889  -5.085
   34    HA   THR   6           HA       THR   6  -1.874  -9.551  -4.203
   35    HB   THR   6           HB       THR   6  -4.062  -8.607  -4.473
   36    HG1  THR   6           1HG      THR   6  -4.394 -10.656  -4.939
   37   1HG2  THR   6          1HG2      THR   6  -4.348  -8.517  -7.325
   38   2HG2  THR   6          2HG2      THR   6  -3.084  -7.410  -6.790
   39   3HG2  THR   6          3HG2      THR   6  -4.710  -7.284  -6.118
   40    H    GLU   7           H        GLU   7  -3.045 -10.111  -7.362
   41    HA   GLU   7           HA       GLU   7  -0.755 -10.120  -8.919
   42   1HB   GLU   7          2HB       GLU   7   0.396 -12.036  -8.531
   43   2HB   GLU   7          1HB       GLU   7  -0.233 -11.796  -6.912
   44   1HG   GLU   7          2HG       GLU   7  -0.957 -13.885  -7.039
   45   2HG   GLU   7          1HG       GLU   7  -2.208 -13.276  -8.119
   46    H    PHE   8           H        PHE   8  -3.749 -10.001  -8.938
   47    HA   PHE   8           HA       PHE   8  -4.091 -11.626 -11.346
   48   1HB   PHE   8          2HB       PHE   8  -6.253 -11.577  -9.249
   49   2HB   PHE   8          1HB       PHE   8  -6.122 -12.625 -10.656
   50    HD1  PHE   8           1HD      PHE   8  -5.229 -12.133  -7.195
   51    HD2  PHE   8           2HD      PHE   8  -4.445 -14.447 -10.678
   52    HE1  PHE   8           1HE      PHE   8  -4.163 -13.861  -5.803
   53    HE2  PHE   8           2HE      PHE   8  -3.378 -16.179  -9.295
   54    HZ   PHE   8           HZ       PHE   8  -3.238 -15.888  -6.852
   55    H    ASN   9           H        ASN   9  -6.768 -11.128 -11.796
   56    HA   ASN   9           HA       ASN   9  -6.692  -8.478 -12.816
   57   1HB   ASN   9          2HB       ASN   9  -8.807 -10.615 -12.690
   58   2HB   ASN   9          1HB       ASN   9  -9.184  -9.002 -13.291
   59   1HD2  ASN   9          1HD2      ASN   9  -8.858 -11.826 -14.463
   60   2HD2  ASN   9          2HD2      ASN   9  -7.912 -11.555 -15.882
   61    HA   PRO  10           HA       PRO  10 -10.018  -7.603  -9.400
   62   1HB   PRO  10          2HB       PRO  10 -10.058  -9.321  -7.281
   63   2HB   PRO  10          1HB       PRO  10 -11.108  -9.489  -8.693
   64   1HG   PRO  10          2HG       PRO  10  -8.558 -10.911  -8.044
   65   2HG   PRO  10          1HG       PRO  10 -10.056 -11.556  -8.740
   66   1HD   PRO  10          2HD       PRO  10  -7.885 -10.993 -10.239
   67   2HD   PRO  10          1HD       PRO  10  -9.537 -10.819 -10.861
   68    H    LEU  11           H        LEU  11  -7.924  -6.290  -9.451
   69    HA   LEU  11           HA       LEU  11  -5.900  -6.521  -7.553
   70   1HB   LEU  11          2HB       LEU  11  -5.729  -3.995  -7.809
   71   2HB   LEU  11          1HB       LEU  11  -5.519  -4.966  -9.247
   72    HG   LEU  11           HG       LEU  11  -6.964  -2.777  -9.289
   73   1HD1  LEU  11          1HD1      LEU  11  -7.531  -3.455 -11.331
   74   2HD1  LEU  11          2HD1      LEU  11  -8.438  -4.839 -10.724
   75   3HD1  LEU  11          3HD1      LEU  11  -6.689  -4.952 -10.928
   76   1HD2  LEU  11          1HD2      LEU  11  -9.301  -3.090  -8.913
   77   2HD2  LEU  11          2HD2      LEU  11  -8.450  -3.547  -7.439
   78   3HD2  LEU  11          3HD2      LEU  11  -9.069  -4.793  -8.522
   79    H    CYS  12           H        CYS  12  -5.726  -4.348  -6.053
   80    HA   CYS  12           HA       CYS  12  -6.410  -4.725  -3.635
   81   1HB   CYS  12          2HB       CYS  12  -6.699  -2.399  -3.199
   82   2HB   CYS  12          1HB       CYS  12  -5.575  -2.566  -4.535
   83    H    ARG  13           H        ARG  13  -8.165  -6.313  -4.147
   84    HA   ARG  13           HA       ARG  13 -10.862  -5.302  -4.291
   85   1HB   ARG  13          2HB       ARG  13  -9.564  -7.836  -4.607
   86   2HB   ARG  13          1HB       ARG  13 -10.880  -8.009  -3.454
   87   1HG   ARG  13          2HG       ARG  13 -11.146  -6.821  -6.207
   88   2HG   ARG  13          1HG       ARG  13 -11.558  -8.480  -5.771
   89   1HD   ARG  13          2HD       ARG  13 -13.613  -7.490  -5.589
   90   2HD   ARG  13          1HD       ARG  13 -13.021  -7.286  -3.942
   91    HE   ARG  13           HE       ARG  13 -12.390  -5.076  -5.660
   92   1HH1  ARG  13          1HH1      ARG  13 -14.837  -6.466  -3.594
   93   2HH1  ARG  13          2HH1      ARG  13 -15.601  -4.947  -3.266
   94   1HH2  ARG  13          1HH2      ARG  13 -13.393  -3.077  -5.230
   95   2HH2  ARG  13          2HH2      ARG  13 -14.781  -3.022  -4.195
   96    H    CYS  14           H        CYS  14  -9.251  -4.416  -2.016
   97    HA   CYS  14           HA       CYS  14 -10.902  -5.444   0.157
   98   1HB   CYS  14          2HB       CYS  14  -9.101  -5.500   1.583
   99   2HB   CYS  14          1HB       CYS  14  -8.292  -5.887   0.071
  100    H    ASN  15           H        ASN  15 -10.413  -3.692   2.012
  101    HA   ASN  15           HA       ASN  15 -10.561  -0.967   1.123
  102   1HB   ASN  15          2HB       ASN  15 -12.975  -2.443   1.323
  103   2HB   ASN  15          1HB       ASN  15 -12.947  -1.300   2.650
  104   1HD2  ASN  15          1HD2      ASN  15 -12.502   0.954   2.100
  105   2HD2  ASN  15          2HD2      ASN  15 -13.094   1.570   0.599
  106    H    LYS  16           H        LYS  16 -11.516  -3.077   3.784
  107    HA   LYS  16           HA       LYS  16 -11.584  -1.860   6.030
  108   1HB   LYS  16          2HB       LYS  16 -11.245  -4.278   5.883
  109   2HB   LYS  16          1HB       LYS  16  -9.530  -4.028   5.588
  110   1HG   LYS  16          2HG       LYS  16 -10.352  -2.682   7.996
  111   2HG   LYS  16          1HG       LYS  16 -10.796  -4.389   8.045
  112   1HD   LYS  16          2HD       LYS  16  -8.260  -4.496   7.038
  113   2HD   LYS  16          1HD       LYS  16  -8.153  -3.122   8.138
  114   1HE   LYS  16          2HE       LYS  16  -9.225  -4.600   9.885
  115   2HE   LYS  16          1HE       LYS  16  -8.975  -5.947   8.776
  116   1HZ   LYS  16          1HZ       LYS  16  -7.062  -4.523  10.413
  117   2HZ   LYS  16          2HZ       LYS  16  -6.538  -4.836   8.836
  118   3HZ   LYS  16          3HZ       LYS  16  -7.023  -6.112   9.835
  119    H    MET  17           H        MET  17 -10.501   0.187   4.948
  120    HA   MET  17           HA       MET  17  -7.693   0.489   5.404
  121   1HB   MET  17          2HB       MET  17  -8.217   2.944   5.135
  122   2HB   MET  17          1HB       MET  17  -8.540   1.887   3.768
  123   1HG   MET  17          2HG       MET  17 -10.634   2.595   3.699
  124   2HG   MET  17          1HG       MET  17 -10.892   2.012   5.342
  125   1HE   MET  17          1HE       MET  17 -11.539   4.718   3.214
  126   2HE   MET  17          2HE       MET  17  -9.842   5.192   3.153
  127   3HE   MET  17          3HE       MET  17 -11.020   6.231   3.955
  128    H    LEU  18           H        LEU  18  -8.074  -0.446   7.596
  129    HA   LEU  18           HA       LEU  18  -7.507   1.517   9.531
  130   1HB   LEU  18          2HB       LEU  18  -9.464   0.927  11.031
  131   2HB   LEU  18          1HB       LEU  18  -9.796   1.980   9.669
  132    HG   LEU  18           HG       LEU  18 -10.332  -0.479   8.601
  133   1HD1  LEU  18          1HD1      LEU  18 -10.286  -1.858  10.422
  134   2HD1  LEU  18          2HD1      LEU  18 -11.968  -1.331  10.480
  135   3HD1  LEU  18          3HD1      LEU  18 -10.773  -0.584  11.540
  136   1HD2  LEU  18          1HD2      LEU  18 -11.633   1.819   8.836
  137   2HD2  LEU  18          2HD2      LEU  18 -12.528   0.899  10.046
  138   3HD2  LEU  18          3HD2      LEU  18 -12.453   0.324   8.380
  139    H    GLY  19           H        GLY  19  -5.828  -0.318   9.078
  140   1HA   GLY  19          2HA       GLY  19  -5.917  -2.034  11.401
  141   2HA   GLY  19          1HA       GLY  19  -6.013  -2.902   9.879
  142    H    ASP  20           H        ASP  20  -4.213  -2.729   8.393
  143    HA   ASP  20           HA       ASP  20  -1.731  -2.936   9.730
  144   1HB   ASP  20          2HB       ASP  20  -1.906  -2.580   6.768
  145   2HB   ASP  20          1HB       ASP  20  -0.843  -3.617   7.703
  146    H    LEU  21           H        LEU  21   0.241  -1.795   8.789
  147    HA   LEU  21           HA       LEU  21  -0.245   1.033   8.295
  148   1HB   LEU  21          2HB       LEU  21   1.194   1.699  10.027
  149   2HB   LEU  21          1HB       LEU  21   0.109   0.514  10.720
  150    HG   LEU  21           HG       LEU  21   2.979   0.033   9.935
  151   1HD1  LEU  21          1HD1      LEU  21   3.268  -0.299  12.376
  152   2HD1  LEU  21          2HD1      LEU  21   1.626   0.300  12.607
  153   3HD1  LEU  21          3HD1      LEU  21   2.860   1.356  11.921
  154   1HD2  LEU  21          1HD2      LEU  21   2.352  -2.098  11.396
  155   2HD2  LEU  21          2HD2      LEU  21   2.141  -2.062   9.646
  156   3HD2  LEU  21          3HD2      LEU  21   0.761  -1.775  10.706
  157    H    ILE  22           H        ILE  22   0.556   1.171   6.286
  158    HA   ILE  22           HA       ILE  22   3.140  -0.058   5.673
  159    HB   ILE  22           HB       ILE  22   1.549  -0.648   4.056
  160   1HG1  ILE  22          2HG1      ILE  22   3.776   0.494   3.270
  161   2HG1  ILE  22          1HG1      ILE  22   2.557  -0.020   2.112
  162   1HG2  ILE  22          1HG2      ILE  22   0.294   1.214   2.788
  163   2HG2  ILE  22          2HG2      ILE  22   0.658   2.191   4.211
  164   3HG2  ILE  22          3HG2      ILE  22  -0.288   0.710   4.375
  165   1HD1  ILE  22          1HD1      ILE  22   1.986   2.101   1.559
  166   2HD1  ILE  22          2HD1      ILE  22   3.663   2.370   2.017
  167   3HD1  ILE  22          3HD1      ILE  22   2.373   2.746   3.153
  168    H    CYS  23           H        CYS  23   4.774   1.151   4.576
  169    HA   CYS  23           HA       CYS  23   4.614   4.065   5.064
  170   1HB   CYS  23          2HB       CYS  23   6.227   2.975   6.573
  171   2HB   CYS  23          1HB       CYS  23   7.060   2.282   5.187
  172    H    ALA  24           H        ALA  24   3.858   4.513   2.976
  173    HA   ALA  24           HA       ALA  24   5.447   3.556   0.739
  174   1HB   ALA  24          1HB       ALA  24   3.585   4.949  -0.509
  175   2HB   ALA  24          2HB       ALA  24   2.748   4.719   1.026
  176   3HB   ALA  24          3HB       ALA  24   3.294   3.320   0.099
  177    H    VAL  25           H        VAL  25   6.463   4.765  -0.737
  178    HA   VAL  25           HA       VAL  25   6.710   7.646  -0.321
  179    HB   VAL  25           HB       VAL  25   8.595   6.377   0.801
  180   1HG1  VAL  25          1HG1      VAL  25   8.836   4.678  -0.994
  181   2HG1  VAL  25          2HG1      VAL  25  10.351   5.457  -0.539
  182   3HG1  VAL  25          3HG1      VAL  25   9.529   5.931  -2.025
  183   1HG2  VAL  25          1HG2      VAL  25   9.660   8.160  -1.349
  184   2HG2  VAL  25          2HG2      VAL  25  10.109   8.075   0.355
  185   3HG2  VAL  25          3HG2      VAL  25   8.573   8.801  -0.117
  186    H    ILE  26           H        ILE  26   7.312   8.799  -2.151
  187    HA   ILE  26           HA       ILE  26   7.515   7.334  -4.675
  188    HB   ILE  26           HB       ILE  26   5.889   9.452  -5.381
  189   1HG1  ILE  26          2HG1      ILE  26   5.355   9.685  -2.920
  190   2HG1  ILE  26          1HG1      ILE  26   3.964   9.453  -3.971
  191   1HG2  ILE  26          1HG2      ILE  26   6.025   6.821  -5.879
  192   2HG2  ILE  26          2HG2      ILE  26   4.680   7.844  -6.384
  193   3HG2  ILE  26          3HG2      ILE  26   4.546   6.871  -4.920
  194   1HD1  ILE  26          1HD1      ILE  26   4.642   6.888  -3.216
  195   2HD1  ILE  26          2HD1      ILE  26   3.341   7.872  -2.545
  196   3HD1  ILE  26          3HD1      ILE  26   4.919   7.846  -1.762
  197    H    GLY  27           H        GLY  27   9.637   8.043  -4.747
  198   1HA   GLY  27          2HA       GLY  27  11.307   9.385  -5.573
  199   2HA   GLY  27          1HA       GLY  27  10.061  10.522  -6.065
  200    H    ASP  28           H        ASP  28   8.946  11.463  -3.952
  201    HA   ASP  28           HA       ASP  28  10.816  12.063  -1.842
  202   1HB   ASP  28          2HB       ASP  28  10.589  14.551  -2.215
  203   2HB   ASP  28          1HB       ASP  28  11.583  13.708  -3.399
  204    H    ALA  29           H        ALA  29   8.080  10.911  -2.312
  205    HA   ALA  29           HA       ALA  29   6.645  12.678  -0.429
  206   1HB   ALA  29          1HB       ALA  29   5.128  12.960  -2.048
  207   2HB   ALA  29          2HB       ALA  29   4.645  11.297  -1.713
  208   3HB   ALA  29          3HB       ALA  29   5.784  11.639  -3.015
  209    H    LYS  30           H        LYS  30   7.630  11.371   1.222
  210    HA   LYS  30           HA       LYS  30   6.785   8.591   1.358
  211   1HB   LYS  30          2HB       LYS  30   9.106   9.136   1.918
  212   2HB   LYS  30          1HB       LYS  30   8.557  10.205   3.201
  213   1HG   LYS  30          2HG       LYS  30   7.376   7.652   3.608
  214   2HG   LYS  30          1HG       LYS  30   9.104   7.431   3.325
  215   1HD   LYS  30          2HD       LYS  30   7.880   9.310   5.346
  216   2HD   LYS  30          1HD       LYS  30   8.601   7.740   5.707
  217   1HE   LYS  30          2HE       LYS  30  10.461   8.947   6.081
  218   2HE   LYS  30          1HE       LYS  30  10.610   8.912   4.325
  219   1HZ   LYS  30          1HZ       LYS  30  10.074  11.080   4.148
  220   2HZ   LYS  30          2HZ       LYS  30  10.632  11.150   5.743
  221   3HZ   LYS  30          3HZ       LYS  30   8.973  11.045   5.432
  222    H    GLU  31           H        GLU  31   4.846   8.186   2.150
  223    HA   GLU  31           HA       GLU  31   4.055   9.366   4.693
  224   1HB   GLU  31          2HB       GLU  31   1.742   9.781   3.810
  225   2HB   GLU  31          1HB       GLU  31   2.972  10.868   3.179
  226   1HG   GLU  31          2HG       GLU  31   2.926   8.768   1.371
  227   2HG   GLU  31          1HG       GLU  31   1.232   9.029   1.787
  228    H    GLU  32           H        GLU  32   2.907   7.965   5.963
  229    HA   GLU  32           HA       GLU  32   2.905   5.222   5.220
  230   1HB   GLU  32          2HB       GLU  32   1.895   6.750   7.587
  231   2HB   GLU  32          1HB       GLU  32   1.427   5.070   7.373
  232   1HG   GLU  32          2HG       GLU  32   4.146   5.001   6.992
  233   2HG   GLU  32          1HG       GLU  32   3.951   6.206   8.264
  234    H    HIS  33           H        HIS  33   0.869   3.892   5.662
  235    HA   HIS  33           HA       HIS  33  -1.632   5.095   4.947
  236   1HB   HIS  33          2HB       HIS  33  -0.080   4.500   2.791
  237   2HB   HIS  33          1HB       HIS  33  -0.961   2.989   2.994
  238    HD1  HIS  33           1HD      HIS  33  -3.606   3.156   2.842
  239    HD2  HIS  33           2HD      HIS  33  -1.524   6.562   1.688
  240    HE1  HIS  33           1HE      HIS  33  -5.264   4.561   1.576
  241    HE2  HIS  33           2HE      HIS  33  -4.007   6.658   0.968
  242    H    ARG  34           H        ARG  34  -3.389   3.583   4.998
  243    HA   ARG  34           HA       ARG  34  -2.803   1.323   6.763
  244   1HB   ARG  34          2HB       ARG  34  -5.535   2.358   6.052
  245   2HB   ARG  34          1HB       ARG  34  -5.069   1.384   7.438
  246   1HG   ARG  34          2HG       ARG  34  -4.422   4.282   6.947
  247   2HG   ARG  34          1HG       ARG  34  -5.485   3.613   8.187
  248   1HD   ARG  34          2HD       ARG  34  -2.528   3.056   7.994
  249   2HD   ARG  34          1HD       ARG  34  -3.240   4.296   9.027
  250    HE   ARG  34           HE       ARG  34  -3.210   1.457   9.486
  251   1HH1  ARG  34          1HH1      ARG  34  -4.840   4.458  10.210
  252   2HH1  ARG  34          2HH1      ARG  34  -5.497   3.885  11.705
  253   1HH2  ARG  34          1HH2      ARG  34  -4.074   0.702  11.453
  254   2HH2  ARG  34          2HH2      ARG  34  -5.062   1.753  12.413
  255    H    ASN  35           H        ASN  35  -5.004   1.988   4.028
  256    HA   ASN  35           HA       ASN  35  -5.213  -0.822   3.439
  257   1HB   ASN  35          2HB       ASN  35  -6.726   1.496   2.838
  258   2HB   ASN  35          1HB       ASN  35  -6.232   0.794   1.301
  259   1HD2  ASN  35          1HD2      ASN  35  -6.868  -0.903   4.325
  260   2HD2  ASN  35          2HD2      ASN  35  -8.217  -1.808   3.740
  261    H    MET  36           H        MET  36  -2.831  -0.944   3.234
  262    HA   MET  36           HA       MET  36  -1.376   0.148   1.138
  263   1HB   MET  36          2HB       MET  36  -0.303  -0.991   2.968
  264   2HB   MET  36          1HB       MET  36  -1.104  -2.500   2.559
  265   1HG   MET  36          2HG       MET  36   0.442  -1.434   0.345
  266   2HG   MET  36          1HG       MET  36   1.423  -1.716   1.784
  267   1HE   MET  36          1HE       MET  36   0.508  -3.654   3.275
  268   2HE   MET  36          2HE       MET  36   1.310  -5.113   2.691
  269   3HE   MET  36          3HE       MET  36  -0.449  -5.001   2.656
  270    H    CYS  37           H        CYS  37  -3.872  -2.217   1.060
  271    HA   CYS  37           HA       CYS  37  -3.053  -3.508  -1.347
  272   1HB   CYS  37          2HB       CYS  37  -4.736  -4.936  -0.911
  273   2HB   CYS  37          1HB       CYS  37  -4.898  -4.078   0.613
  274    H    ALA  38           H        ALA  38  -5.494  -1.034  -0.616
  275    HA   ALA  38           HA       ALA  38  -6.249  -0.608  -3.314
  276   1HB   ALA  38          1HB       ALA  38  -7.455   0.079  -1.121
  277   2HB   ALA  38          2HB       ALA  38  -7.588   1.111  -2.544
  278   3HB   ALA  38          3HB       ALA  38  -6.470   1.535  -1.248
  279    H    LEU  39           H        LEU  39  -3.505   0.264  -1.549
  280    HA   LEU  39           HA       LEU  39  -2.828   2.634  -3.031
  281   1HB   LEU  39          2HB       LEU  39  -1.947   1.245  -0.721
  282   2HB   LEU  39          1HB       LEU  39  -0.571   1.430  -1.782
  283    HG   LEU  39           HG       LEU  39  -0.808   3.828  -1.791
  284   1HD1  LEU  39          1HD1      LEU  39  -2.513   4.967  -0.475
  285   2HD1  LEU  39          2HD1      LEU  39  -3.226   3.414  -0.039
  286   3HD1  LEU  39          3HD1      LEU  39  -3.247   3.956  -1.717
  287   1HD2  LEU  39          1HD2      LEU  39   0.506   2.968   0.006
  288   2HD2  LEU  39          2HD2      LEU  39  -0.934   2.611   0.959
  289   3HD2  LEU  39          3HD2      LEU  39  -0.480   4.285   0.641
  290    H    CYS  40           H        CYS  40  -1.850  -0.747  -2.982
  291    HA   CYS  40           HA       CYS  40   0.176  -0.515  -4.923
  292   1HB   CYS  40          2HB       CYS  40   0.316  -2.860  -4.872
  293   2HB   CYS  40          1HB       CYS  40  -0.216  -2.422  -3.254
  294    H    CYS  41           H        CYS  41  -3.273  -1.155  -5.105
  295    HA   CYS  41           HA       CYS  41  -3.227  -1.762  -7.910
  296   1HB   CYS  41          2HB       CYS  41  -5.487  -2.131  -7.704
  297   2HB   CYS  41          1HB       CYS  41  -4.945  -2.400  -6.060
  298    H    GLU  42           H        GLU  42  -3.946   1.047  -5.942
  299    HA   GLU  42           HA       GLU  42  -4.739   2.676  -8.182
  300   1HB   GLU  42          2HB       GLU  42  -5.481   2.841  -5.699
  301   2HB   GLU  42          1HB       GLU  42  -4.006   3.776  -5.493
  302   1HG   GLU  42          2HG       GLU  42  -4.985   5.586  -6.295
  303   2HG   GLU  42          1HG       GLU  42  -5.435   4.738  -7.775
  304    H    HIS  43           H        HIS  43  -1.731   1.737  -7.003
  305    HA   HIS  43           HA       HIS  43  -0.455   4.188  -8.023
  306   1HB   HIS  43          2HB       HIS  43   0.483   2.114  -6.053
  307   2HB   HIS  43          1HB       HIS  43   1.569   3.302  -6.764
  308    HD1  HIS  43           1HD      HIS  43  -0.409   5.727  -6.663
  309    HD2  HIS  43           2HD      HIS  43   0.386   3.152  -3.502
  310    HE1  HIS  43           1HE      HIS  43  -1.006   7.010  -4.586
  311    HE2  HIS  43           2HE      HIS  43  -0.370   5.487  -2.685
  312    HA   PRO  44           HA       PRO  44   1.506   2.126 -11.373
  313   1HB   PRO  44          2HB       PRO  44   4.162   3.142 -10.674
  314   2HB   PRO  44          1HB       PRO  44   3.122   3.586 -12.027
  315   1HG   PRO  44          2HG       PRO  44   3.605   5.274  -9.980
  316   2HG   PRO  44          1HG       PRO  44   2.051   5.244 -10.833
  317   1HD   PRO  44          2HD       PRO  44   2.790   4.000  -8.205
  318   2HD   PRO  44          1HD       PRO  44   1.327   4.909  -8.639
  319    H    GLY  45           H        GLY  45   1.474  -0.062 -10.942
  320   1HA   GLY  45          2HA       GLY  45   2.283  -2.133 -10.355
  321   2HA   GLY  45          1HA       GLY  45   3.880  -1.424 -10.566
  322    H    GLY  46           H        GLY  46   1.748   0.000  -8.261
  323   1HA   GLY  46          2HA       GLY  46   1.579  -0.288  -5.951
  324   2HA   GLY  46          1HA       GLY  46   2.820  -1.528  -6.030
  325    H    PHE  47           H        PHE  47   2.141   1.668  -5.186
  326    HA   PHE  47           HA       PHE  47   4.452   3.089  -5.659
  327   1HB   PHE  47          2HB       PHE  47   2.335   3.165  -3.611
  328   2HB   PHE  47          1HB       PHE  47   3.862   3.854  -3.085
  329    HD1  PHE  47           1HD      PHE  47   2.268   5.875  -2.858
  330    HD2  PHE  47           2HD      PHE  47   3.477   4.232  -6.590
  331    HE1  PHE  47           1HE      PHE  47   1.696   7.991  -3.974
  332    HE2  PHE  47           2HE      PHE  47   2.907   6.342  -7.713
  333    HZ   PHE  47           HZ       PHE  47   2.016   8.227  -6.404
  334    H    GLU  48           H        GLU  48   6.182   3.655  -4.002
  335    HA   GLU  48           HA       GLU  48   7.460   1.169  -3.234
  336   1HB   GLU  48          2HB       GLU  48   8.771   3.029  -4.159
  337   2HB   GLU  48          1HB       GLU  48   8.320   4.025  -2.782
  338   1HG   GLU  48          2HG       GLU  48  10.020   3.252  -1.620
  339   2HG   GLU  48          1HG       GLU  48   9.435   1.602  -1.815
  340    H    TYR  49           H        TYR  49   6.112   0.363  -1.614
  341    HA   TYR  49           HA       TYR  49   6.108   1.953   0.840
  342   1HB   TYR  49          2HB       TYR  49   4.340   0.327   1.570
  343   2HB   TYR  49          1HB       TYR  49   3.894   1.496   0.342
  344    HD1  TYR  49           1HD      TYR  49   2.153   0.454  -0.737
  345    HD2  TYR  49           2HD      TYR  49   5.758  -1.690  -0.088
  346    HE1  TYR  49           1HE      TYR  49   1.318  -1.364  -2.135
  347    HE2  TYR  49           2HE      TYR  49   4.950  -3.509  -1.489
  348    HH   TYR  49           HH       TYR  49   2.800  -3.365  -3.627
  349    H    SER  50           H        SER  50   6.177   0.763   2.835
  350    HA   SER  50           HA       SER  50   7.641  -1.745   2.774
  351   1HB   SER  50          2HB       SER  50   9.396  -0.945   4.257
  352   2HB   SER  50          1HB       SER  50   9.392   0.004   2.770
  353    HG   SER  50           HG       SER  50   8.843   1.726   3.867
  354    H    ASN  51           H        ASN  51   6.116  -2.845   3.805
  355    HA   ASN  51           HA       ASN  51   4.266  -1.994   5.588
  356   1HB   ASN  51          2HB       ASN  51   5.652  -4.665   5.804
  357   2HB   ASN  51          1HB       ASN  51   4.038  -4.250   6.380
  358   1HD2  ASN  51          1HD2      ASN  51   3.024  -2.846   4.288
  359   2HD2  ASN  51          2HD2      ASN  51   2.883  -3.864   2.901
  360    H    GLY  52           H        GLY  52   4.161  -1.424   7.654
  361   1HA   GLY  52          2HA       GLY  52   5.148  -1.936   9.943
  362   2HA   GLY  52          1HA       GLY  52   6.676  -1.482   9.205
  363    HA   PRO  53           HA       PRO  53   4.625   2.241  11.240
  364   1HB   PRO  53          2HB       PRO  53   6.761   2.908  12.796
  365   2HB   PRO  53          1HB       PRO  53   5.476   1.817  13.326
  366   1HG   PRO  53          2HG       PRO  53   8.186   1.163  12.234
  367   2HG   PRO  53          1HG       PRO  53   7.324   0.433  13.602
  368   1HD   PRO  53          2HD       PRO  53   7.429  -0.745  11.178
  369   2HD   PRO  53          1HD       PRO  53   6.006  -0.880  12.232
  370    H    CYS  54           H        CYS  54   5.414   4.495  11.201
  371    HA   CYS  54           HA       CYS  54   7.762   5.359  10.002
  372   1HB   CYS  54          2HB       CYS  54   5.966   4.213   8.105
  373   2HB   CYS  54          1HB       CYS  54   6.022   5.948   7.819
  374    H    GLU  55           H        GLU  55   4.299   5.880  10.349
  375    HA   GLU  55           HA       GLU  55   4.828   8.750  10.753
  376   1HB   GLU  55          2HB       GLU  55   2.712   7.324   9.291
  377   2HB   GLU  55          1HB       GLU  55   2.127   8.605  10.341
  378   1HG   GLU  55          2HG       GLU  55   4.310   9.706   9.005
  379   2HG   GLU  55          1HG       GLU  55   3.437   8.779   7.785
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  10.449  -4.571   2.656
    2   2H    ALA   1          2H        ALA   1  11.630  -3.591   1.888
    3   3H    ALA   1          3H        ALA   1  11.889  -5.279   2.054
    4    HA   ALA   1           HA       ALA   1  11.276  -5.064  -0.102
    5   1HB   ALA   1          1HB       ALA   1   8.971  -5.790   1.660
    6   2HB   ALA   1          2HB       ALA   1  10.004  -6.832   0.683
    7   3HB   ALA   1          3HB       ALA   1   8.796  -5.809  -0.095
    8    H    HIS   2           H        HIS   2  10.500  -3.853  -1.756
    9    HA   HIS   2           HA       HIS   2   8.760  -1.579  -1.086
   10   1HB   HIS   2          2HB       HIS   2  11.232  -1.585  -2.824
   11   2HB   HIS   2          1HB       HIS   2  10.072  -0.264  -2.791
   12    HD1  HIS   2           1HD      HIS   2  13.191  -1.150  -1.405
   13    HD2  HIS   2           2HD      HIS   2   9.767   0.640   0.122
   14    HE1  HIS   2           1HE      HIS   2  13.929   0.044   0.681
   15    HE2  HIS   2           2HE      HIS   2  11.815   1.009   1.655
   16    H    MET   3           H        MET   3   7.528  -3.682  -1.895
   17    HA   MET   3           HA       MET   3   6.293  -2.963  -4.327
   18   1HB   MET   3          2HB       MET   3   8.581  -4.616  -4.606
   19   2HB   MET   3          1HB       MET   3   7.175  -5.614  -4.949
   20   1HG   MET   3          2HG       MET   3   6.429  -3.763  -6.514
   21   2HG   MET   3          1HG       MET   3   8.051  -3.098  -6.326
   22   1HE   MET   3          1HE       MET   3   7.469  -4.955  -9.868
   23   2HE   MET   3          2HE       MET   3   8.329  -3.519  -9.308
   24   3HE   MET   3          3HE       MET   3   6.633  -3.754  -8.884
   25    H    ASP   4           H        ASP   4   6.994  -6.023  -2.647
   26    HA   ASP   4           HA       ASP   4   4.941  -7.590  -2.854
   27   1HB   ASP   4          2HB       ASP   4   6.576  -6.881  -0.546
   28   2HB   ASP   4          1HB       ASP   4   5.002  -7.523  -0.079
   29    H    CYS   5           H        CYS   5   2.808  -7.419  -3.038
   30    HA   CYS   5           HA       CYS   5   1.263  -6.079  -1.030
   31   1HB   CYS   5          2HB       CYS   5   0.224  -4.425  -2.455
   32   2HB   CYS   5          1HB       CYS   5   1.962  -4.187  -2.447
   33    H    THR   6           H        THR   6  -1.128  -5.746  -2.596
   34    HA   THR   6           HA       THR   6  -2.276  -8.281  -2.395
   35    HB   THR   6           HB       THR   6  -3.109  -5.893  -4.068
   36    HG1  THR   6           1HG      THR   6  -2.971  -5.611  -1.767
   37   1HG2  THR   6          1HG2      THR   6  -4.371  -7.667  -4.947
   38   2HG2  THR   6          2HG2      THR   6  -5.414  -6.876  -3.765
   39   3HG2  THR   6          3HG2      THR   6  -4.609  -8.390  -3.357
   40    H    GLU   7           H        GLU   7  -0.098  -7.177  -4.901
   41    HA   GLU   7           HA       GLU   7  -0.890  -8.053  -7.272
   42   1HB   GLU   7          2HB       GLU   7   1.682  -8.158  -5.856
   43   2HB   GLU   7          1HB       GLU   7   1.560  -9.250  -7.228
   44   1HG   GLU   7          2HG       GLU   7   1.336  -7.537  -8.749
   45   2HG   GLU   7          1HG       GLU   7   0.746  -6.399  -7.537
   46    H    PHE   8           H        PHE   8  -2.483  -9.617  -7.222
   47    HA   PHE   8           HA       PHE   8  -1.538 -12.324  -7.412
   48   1HB   PHE   8          2HB       PHE   8  -3.397 -11.508  -5.170
   49   2HB   PHE   8          1HB       PHE   8  -3.242 -13.170  -5.723
   50    HD1  PHE   8           1HD      PHE   8  -2.077 -10.802  -3.426
   51    HD2  PHE   8           2HD      PHE   8  -0.776 -14.079  -5.808
   52    HE1  PHE   8           1HE      PHE   8  -0.150 -11.120  -1.929
   53    HE2  PHE   8           2HE      PHE   8   1.152 -14.404  -4.316
   54    HZ   PHE   8           HZ       PHE   8   1.467 -12.923  -2.373
   55    H    ASN   9           H        ASN   9  -4.222 -13.475  -7.110
   56    HA   ASN   9           HA       ASN   9  -5.196 -12.903  -9.715
   57   1HB   ASN   9          2HB       ASN   9  -5.825 -14.777  -7.554
   58   2HB   ASN   9          1HB       ASN   9  -7.247 -14.254  -8.452
   59   1HD2  ASN   9          1HD2      ASN   9  -4.719 -16.411  -8.348
   60   2HD2  ASN   9          2HD2      ASN   9  -4.790 -16.988  -9.974
   61    HA   PRO  10           HA       PRO  10  -8.668 -10.519  -7.534
   62   1HB   PRO  10          2HB       PRO  10  -8.996 -10.591  -4.898
   63   2HB   PRO  10          1HB       PRO  10  -9.410 -11.997  -5.888
   64   1HG   PRO  10          2HG       PRO  10  -7.027 -11.534  -4.155
   65   2HG   PRO  10          1HG       PRO  10  -7.928 -13.031  -4.450
   66   1HD   PRO  10          2HD       PRO  10  -5.527 -12.248  -5.700
   67   2HD   PRO  10          1HD       PRO  10  -6.594 -13.574  -6.201
   68    H    LEU  11           H        LEU  11  -7.676  -8.570  -8.128
   69    HA   LEU  11           HA       LEU  11  -5.608  -7.292  -6.752
   70   1HB   LEU  11          2HB       LEU  11  -7.735  -5.723  -8.143
   71   2HB   LEU  11          1HB       LEU  11  -6.011  -5.414  -8.069
   72    HG   LEU  11           HG       LEU  11  -7.413  -7.510  -9.724
   73   1HD1  LEU  11          1HD1      LEU  11  -6.235  -4.856 -10.231
   74   2HD1  LEU  11          2HD1      LEU  11  -7.553  -5.693 -11.051
   75   3HD1  LEU  11          3HD1      LEU  11  -5.879  -6.110 -11.418
   76   1HD2  LEU  11          1HD2      LEU  11  -5.213  -8.167 -10.524
   77   2HD2  LEU  11          2HD2      LEU  11  -5.338  -8.421  -8.784
   78   3HD2  LEU  11          3HD2      LEU  11  -4.451  -7.031  -9.411
   79    H    CYS  12           H        CYS  12  -6.057  -4.919  -5.896
   80    HA   CYS  12           HA       CYS  12  -6.725  -5.064  -3.346
   81   1HB   CYS  12          2HB       CYS  12  -6.893  -2.743  -3.203
   82   2HB   CYS  12          1HB       CYS  12  -5.852  -3.033  -4.582
   83    H    ARG  13           H        ARG  13  -8.439  -6.723  -3.716
   84    HA   ARG  13           HA       ARG  13 -11.134  -5.587  -3.906
   85   1HB   ARG  13          2HB       ARG  13 -10.064  -8.061  -4.640
   86   2HB   ARG  13          1HB       ARG  13 -11.010  -8.412  -3.201
   87   1HG   ARG  13          2HG       ARG  13 -12.106  -6.886  -5.545
   88   2HG   ARG  13          1HG       ARG  13 -12.207  -8.642  -5.400
   89   1HD   ARG  13          2HD       ARG  13 -13.662  -8.543  -3.610
   90   2HD   ARG  13          1HD       ARG  13 -13.151  -6.920  -3.151
   91    HE   ARG  13           HE       ARG  13 -15.175  -7.632  -5.082
   92   1HH1  ARG  13          1HH1      ARG  13 -13.018  -5.132  -3.944
   93   2HH1  ARG  13          2HH1      ARG  13 -13.942  -3.845  -4.639
   94   1HH2  ARG  13          1HH2      ARG  13 -16.390  -5.935  -5.997
   95   2HH2  ARG  13          2HH2      ARG  13 -15.856  -4.299  -5.804
   96    H    CYS  14           H        CYS  14  -9.614  -4.669  -1.833
   97    HA   CYS  14           HA       CYS  14 -11.116  -5.617   0.473
   98   1HB   CYS  14          2HB       CYS  14  -8.650  -5.286   1.592
   99   2HB   CYS  14          1HB       CYS  14  -9.325  -6.837   1.115
  100    H    ASN  15           H        ASN  15 -12.132  -3.754   1.061
  101    HA   ASN  15           HA       ASN  15 -10.554  -1.283   1.028
  102   1HB   ASN  15          2HB       ASN  15 -13.060  -1.698   0.023
  103   2HB   ASN  15          1HB       ASN  15 -13.413  -1.004   1.600
  104   1HD2  ASN  15          1HD2      ASN  15 -10.903   0.482   1.674
  105   2HD2  ASN  15          2HD2      ASN  15 -11.106   1.819   0.601
  106    H    LYS  16           H        LYS  16 -13.310  -2.343   3.005
  107    HA   LYS  16           HA       LYS  16 -12.681  -0.913   5.278
  108   1HB   LYS  16          2HB       LYS  16 -14.780  -2.024   5.252
  109   2HB   LYS  16          1HB       LYS  16 -14.029  -3.597   5.011
  110   1HG   LYS  16          2HG       LYS  16 -13.316  -3.740   7.222
  111   2HG   LYS  16          1HG       LYS  16 -13.480  -2.003   7.485
  112   1HD   LYS  16          2HD       LYS  16 -15.904  -2.192   7.377
  113   2HD   LYS  16          1HD       LYS  16 -15.772  -3.919   7.036
  114   1HE   LYS  16          2HE       LYS  16 -16.262  -3.765   9.334
  115   2HE   LYS  16          1HE       LYS  16 -14.536  -4.113   9.242
  116   1HZ   LYS  16          1HZ       LYS  16 -14.437  -1.487   9.285
  117   2HZ   LYS  16          2HZ       LYS  16 -14.489  -2.404  10.704
  118   3HZ   LYS  16          3HZ       LYS  16 -15.899  -1.683  10.112
  119    H    MET  17           H        MET  17 -11.144  -3.676   3.973
  120    HA   MET  17           HA       MET  17  -9.899  -5.213   5.598
  121   1HB   MET  17          2HB       MET  17  -9.226  -4.302   3.196
  122   2HB   MET  17          1HB       MET  17  -7.988  -3.466   4.122
  123   1HG   MET  17          2HG       MET  17  -8.411  -6.412   4.440
  124   2HG   MET  17          1HG       MET  17  -7.450  -5.771   3.109
  125   1HE   MET  17          1HE       MET  17  -4.390  -6.738   4.908
  126   2HE   MET  17          2HE       MET  17  -5.591  -7.092   3.667
  127   3HE   MET  17          3HE       MET  17  -5.776  -7.759   5.290
  128    H    LEU  18           H        LEU  18  -8.458  -5.296   7.291
  129    HA   LEU  18           HA       LEU  18  -8.295  -3.006   8.970
  130   1HB   LEU  18          2HB       LEU  18  -6.544  -4.543  10.174
  131   2HB   LEU  18          1HB       LEU  18  -8.254  -4.919  10.236
  132    HG   LEU  18           HG       LEU  18  -6.746  -6.164   8.017
  133   1HD1  LEU  18          1HD1      LEU  18  -6.045  -6.546  10.860
  134   2HD1  LEU  18          2HD1      LEU  18  -5.070  -6.769   9.407
  135   3HD1  LEU  18          3HD1      LEU  18  -6.233  -8.005   9.886
  136   1HD2  LEU  18          1HD2      LEU  18  -9.237  -6.433   8.900
  137   2HD2  LEU  18          2HD2      LEU  18  -8.467  -7.639   9.929
  138   3HD2  LEU  18          3HD2      LEU  18  -8.347  -7.772   8.174
  139    H    GLY  19           H        GLY  19  -7.415  -1.697   7.166
  140   1HA   GLY  19          2HA       GLY  19  -4.999  -1.857   5.948
  141   2HA   GLY  19          1HA       GLY  19  -5.673  -0.337   6.510
  142    H    ASP  20           H        ASP  20  -3.030  -2.292   6.629
  143    HA   ASP  20           HA       ASP  20  -2.215  -1.822   9.342
  144   1HB   ASP  20          2HB       ASP  20  -0.306  -2.587   7.163
  145   2HB   ASP  20          1HB       ASP  20  -0.339  -3.090   8.845
  146    H    LEU  21           H        LEU  21   0.099  -0.846   9.583
  147    HA   LEU  21           HA       LEU  21  -0.059   1.815   8.405
  148   1HB   LEU  21          2HB       LEU  21   1.230   2.621  10.182
  149   2HB   LEU  21          1HB       LEU  21   0.137   1.457  10.897
  150    HG   LEU  21           HG       LEU  21   3.093   1.154  10.414
  151   1HD1  LEU  21          1HD1      LEU  21   2.059   2.344  12.456
  152   2HD1  LEU  21          2HD1      LEU  21   3.314   1.132  12.711
  153   3HD1  LEU  21          3HD1      LEU  21   1.621   0.717  12.974
  154   1HD2  LEU  21          1HD2      LEU  21   2.834  -1.113  11.393
  155   2HD2  LEU  21          2HD2      LEU  21   2.117  -0.952   9.791
  156   3HD2  LEU  21          3HD2      LEU  21   1.088  -0.944  11.225
  157    H    ILE  22           H        ILE  22   0.650   1.085   6.323
  158    HA   ILE  22           HA       ILE  22   3.403   0.206   6.027
  159    HB   ILE  22           HB       ILE  22   2.028  -0.793   4.413
  160   1HG1  ILE  22          2HG1      ILE  22   4.081   0.678   3.557
  161   2HG1  ILE  22          1HG1      ILE  22   3.093  -0.305   2.492
  162   1HG2  ILE  22          1HG2      ILE  22   0.729   1.886   4.176
  163   2HG2  ILE  22          2HG2      ILE  22  -0.003   0.323   4.541
  164   3HG2  ILE  22          3HG2      ILE  22   0.553   0.677   2.904
  165   1HD1  ILE  22          1HD1      ILE  22   2.568   2.606   2.993
  166   2HD1  ILE  22          2HD1      ILE  22   1.868   1.575   1.744
  167   3HD1  ILE  22          3HD1      ILE  22   3.577   2.003   1.679
  168    H    CYS  23           H        CYS  23   5.052   1.405   5.025
  169    HA   CYS  23           HA       CYS  23   4.580   4.319   5.026
  170   1HB   CYS  23          2HB       CYS  23   6.489   2.967   6.403
  171   2HB   CYS  23          1HB       CYS  23   7.363   3.320   4.917
  172    H    ALA  24           H        ALA  24   3.668   4.247   2.915
  173    HA   ALA  24           HA       ALA  24   5.196   3.247   0.712
  174   1HB   ALA  24          1HB       ALA  24   3.099   4.983  -0.149
  175   2HB   ALA  24          2HB       ALA  24   2.511   3.966   1.165
  176   3HB   ALA  24          3HB       ALA  24   3.212   3.227  -0.274
  177    H    VAL  25           H        VAL  25   6.343   4.337  -0.774
  178    HA   VAL  25           HA       VAL  25   6.588   7.252  -0.509
  179    HB   VAL  25           HB       VAL  25   8.978   5.456  -0.907
  180   1HG1  VAL  25          1HG1      VAL  25   9.733   7.433  -1.692
  181   2HG1  VAL  25          2HG1      VAL  25   9.943   7.780   0.025
  182   3HG1  VAL  25          3HG1      VAL  25   8.513   8.366  -0.826
  183   1HG2  VAL  25          1HG2      VAL  25   8.649   4.942   1.271
  184   2HG2  VAL  25          2HG2      VAL  25   7.641   6.360   1.563
  185   3HG2  VAL  25          3HG2      VAL  25   9.397   6.520   1.521
  186    H    ILE  26           H        ILE  26   6.932   8.362  -2.354
  187    HA   ILE  26           HA       ILE  26   7.203   6.843  -4.860
  188    HB   ILE  26           HB       ILE  26   5.671   9.031  -5.572
  189   1HG1  ILE  26          2HG1      ILE  26   5.196   9.120  -3.011
  190   2HG1  ILE  26          1HG1      ILE  26   3.859   9.292  -4.139
  191   1HG2  ILE  26          1HG2      ILE  26   5.534   6.182  -5.668
  192   2HG2  ILE  26          2HG2      ILE  26   4.856   7.374  -6.775
  193   3HG2  ILE  26          3HG2      ILE  26   3.927   6.845  -5.376
  194   1HD1  ILE  26          1HD1      ILE  26   3.183   7.867  -2.358
  195   2HD1  ILE  26          2HD1      ILE  26   4.607   6.848  -2.556
  196   3HD1  ILE  26          3HD1      ILE  26   3.364   6.879  -3.806
  197    H    GLY  27           H        GLY  27   9.379   7.506  -4.846
  198   1HA   GLY  27          2HA       GLY  27  11.106   8.790  -5.649
  199   2HA   GLY  27          1HA       GLY  27   9.894   9.894  -6.282
  200    H    ASP  28           H        ASP  28   8.679  10.982  -4.281
  201    HA   ASP  28           HA       ASP  28  10.519  11.759  -2.183
  202   1HB   ASP  28          2HB       ASP  28   9.624  13.616  -4.370
  203   2HB   ASP  28          1HB       ASP  28   9.991  14.238  -2.763
  204    H    ALA  29           H        ALA  29   7.808  10.489  -2.600
  205    HA   ALA  29           HA       ALA  29   6.339  12.267  -0.760
  206   1HB   ALA  29          1HB       ALA  29   5.466  11.071  -3.291
  207   2HB   ALA  29          2HB       ALA  29   4.852  12.481  -2.428
  208   3HB   ALA  29          3HB       ALA  29   4.339  10.862  -1.951
  209    H    LYS  30           H        LYS  30   7.357  11.029   0.927
  210    HA   LYS  30           HA       LYS  30   6.433   8.261   1.166
  211   1HB   LYS  30          2HB       LYS  30   8.067   8.182   3.091
  212   2HB   LYS  30          1HB       LYS  30   8.779   8.439   1.505
  213   1HG   LYS  30          2HG       LYS  30   8.106  10.847   3.085
  214   2HG   LYS  30          1HG       LYS  30   9.465   9.865   3.636
  215   1HD   LYS  30          2HD       LYS  30   9.245  10.672   0.760
  216   2HD   LYS  30          1HD       LYS  30   9.892  11.796   1.957
  217   1HE   LYS  30          2HE       LYS  30  11.834  10.699   2.082
  218   2HE   LYS  30          1HE       LYS  30  11.035   9.130   2.181
  219   1HZ   LYS  30          1HZ       LYS  30  10.628   9.691  -0.369
  220   2HZ   LYS  30          2HZ       LYS  30  12.011   8.885   0.177
  221   3HZ   LYS  30          3HZ       LYS  30  12.071  10.545  -0.144
  222    H    GLU  31           H        GLU  31   4.795   7.767   2.458
  223    HA   GLU  31           HA       GLU  31   4.330   9.121   4.949
  224   1HB   GLU  31          2HB       GLU  31   2.841   9.886   2.558
  225   2HB   GLU  31          1HB       GLU  31   1.786   9.343   3.855
  226   1HG   GLU  31          2HG       GLU  31   3.058  10.954   5.352
  227   2HG   GLU  31          1HG       GLU  31   3.730  11.626   3.867
  228    H    GLU  32           H        GLU  32   2.730   8.015   6.263
  229    HA   GLU  32           HA       GLU  32   2.700   5.228   5.767
  230   1HB   GLU  32          2HB       GLU  32   0.834   5.554   7.745
  231   2HB   GLU  32          1HB       GLU  32   2.553   5.315   7.992
  232   1HG   GLU  32          2HG       GLU  32   1.757   7.128   9.349
  233   2HG   GLU  32          1HG       GLU  32   2.857   7.741   8.119
  234    H    HIS  33           H        HIS  33   1.033   3.868   5.247
  235    HA   HIS  33           HA       HIS  33  -1.449   5.128   4.302
  236   1HB   HIS  33          2HB       HIS  33   0.417   4.232   2.573
  237   2HB   HIS  33          1HB       HIS  33  -0.480   2.739   2.835
  238    HD1  HIS  33           1HD      HIS  33  -0.626   5.968   1.075
  239    HD2  HIS  33           2HD      HIS  33  -3.240   2.884   2.032
  240    HE1  HIS  33           1HE      HIS  33  -2.639   6.315  -0.391
  241    HE2  HIS  33           2HE      HIS  33  -4.164   4.381   0.137
  242    H    ARG  34           H        ARG  34  -3.306   4.057   4.747
  243    HA   ARG  34           HA       ARG  34  -3.099   1.824   6.597
  244   1HB   ARG  34          2HB       ARG  34  -5.014   3.941   6.071
  245   2HB   ARG  34          1HB       ARG  34  -5.797   2.375   6.219
  246   1HG   ARG  34          2HG       ARG  34  -3.868   2.646   8.304
  247   2HG   ARG  34          1HG       ARG  34  -4.897   4.079   8.276
  248   1HD   ARG  34          2HD       ARG  34  -6.824   2.862   8.690
  249   2HD   ARG  34          1HD       ARG  34  -6.121   1.357   8.100
  250    HE   ARG  34           HE       ARG  34  -4.659   2.062  10.331
  251   1HH1  ARG  34          1HH1      ARG  34  -7.993   1.311   9.621
  252   2HH1  ARG  34          2HH1      ARG  34  -8.309   0.651  11.190
  253   1HH2  ARG  34          1HH2      ARG  34  -5.074   1.200  12.398
  254   2HH2  ARG  34          2HH2      ARG  34  -6.652   0.589  12.768
  255    H    ASN  35           H        ASN  35  -5.122   2.550   3.742
  256    HA   ASN  35           HA       ASN  35  -5.735  -0.234   3.395
  257   1HB   ASN  35          2HB       ASN  35  -6.847   2.219   2.532
  258   2HB   ASN  35          1HB       ASN  35  -6.445   1.307   1.085
  259   1HD2  ASN  35          1HD2      ASN  35  -7.444   0.092   4.247
  260   2HD2  ASN  35          2HD2      ASN  35  -8.895  -0.664   3.693
  261    H    MET  36           H        MET  36  -3.241  -0.505   3.313
  262    HA   MET  36           HA       MET  36  -1.702   0.046   1.092
  263   1HB   MET  36          2HB       MET  36  -0.535  -0.929   2.829
  264   2HB   MET  36          1HB       MET  36  -1.774  -2.133   3.128
  265   1HG   MET  36          2HG       MET  36  -0.366  -2.359   0.549
  266   2HG   MET  36          1HG       MET  36   0.602  -2.661   1.990
  267   1HE   MET  36          1HE       MET  36  -0.133  -4.595  -0.449
  268   2HE   MET  36          2HE       MET  36  -1.859  -4.248  -0.544
  269   3HE   MET  36          3HE       MET  36  -1.308  -5.858  -0.083
  270    H    CYS  37           H        CYS  37  -4.406  -2.068   1.412
  271    HA   CYS  37           HA       CYS  37  -3.906  -3.828  -0.736
  272   1HB   CYS  37          2HB       CYS  37  -5.556  -4.545   0.760
  273   2HB   CYS  37          1HB       CYS  37  -6.334  -2.971   0.809
  274    H    ALA  38           H        ALA  38  -6.172  -1.093  -0.592
  275    HA   ALA  38           HA       ALA  38  -6.626  -0.918  -3.354
  276   1HB   ALA  38          1HB       ALA  38  -8.175   0.262  -2.110
  277   2HB   ALA  38          2HB       ALA  38  -7.156   1.563  -2.726
  278   3HB   ALA  38          3HB       ALA  38  -6.947   0.986  -1.073
  279    H    LEU  39           H        LEU  39  -3.890  -0.079  -1.492
  280    HA   LEU  39           HA       LEU  39  -2.807   1.935  -3.196
  281   1HB   LEU  39          2HB       LEU  39  -2.136   0.645  -0.754
  282   2HB   LEU  39          1HB       LEU  39  -0.761   0.496  -1.821
  283    HG   LEU  39           HG       LEU  39  -1.990   2.992  -0.697
  284   1HD1  LEU  39          1HD1      LEU  39  -0.215   2.005   0.581
  285   2HD1  LEU  39          2HD1      LEU  39   0.398   3.460  -0.203
  286   3HD1  LEU  39          3HD1      LEU  39   0.802   1.872  -0.854
  287   1HD2  LEU  39          1HD2      LEU  39  -0.295   4.159  -2.256
  288   2HD2  LEU  39          2HD2      LEU  39  -1.856   3.674  -2.918
  289   3HD2  LEU  39          3HD2      LEU  39  -0.422   2.697  -3.234
  290    H    CYS  40           H        CYS  40  -2.320  -1.529  -2.778
  291    HA   CYS  40           HA       CYS  40  -0.270  -1.917  -4.627
  292   1HB   CYS  40          2HB       CYS  40  -0.992  -3.638  -3.047
  293   2HB   CYS  40          1HB       CYS  40  -2.531  -3.777  -3.881
  294    H    CYS  41           H        CYS  41  -3.732  -1.706  -5.026
  295    HA   CYS  41           HA       CYS  41  -3.556  -2.385  -7.842
  296   1HB   CYS  41          2HB       CYS  41  -5.796  -2.760  -7.728
  297   2HB   CYS  41          1HB       CYS  41  -5.376  -2.961  -6.045
  298    H    GLU  42           H        GLU  42  -4.159   0.403  -5.824
  299    HA   GLU  42           HA       GLU  42  -4.485   2.077  -8.216
  300   1HB   GLU  42          2HB       GLU  42  -6.098   2.051  -6.161
  301   2HB   GLU  42          1HB       GLU  42  -4.888   3.101  -5.437
  302   1HG   GLU  42          2HG       GLU  42  -5.813   4.823  -6.461
  303   2HG   GLU  42          1HG       GLU  42  -5.372   4.112  -8.012
  304    H    HIS  43           H        HIS  43  -1.817   1.106  -7.176
  305    HA   HIS  43           HA       HIS  43  -0.597   3.574  -6.237
  306   1HB   HIS  43          2HB       HIS  43   1.550   2.247  -6.359
  307   2HB   HIS  43          1HB       HIS  43   0.342   1.616  -5.248
  308    HD1  HIS  43           1HD      HIS  43  -0.279   0.868  -8.806
  309    HD2  HIS  43           2HD      HIS  43   1.670  -0.902  -5.590
  310    HE1  HIS  43           1HE      HIS  43   0.157  -1.505  -9.509
  311    HE2  HIS  43           2HE      HIS  43   1.353  -2.554  -7.557
  312    HA   PRO  44           HA       PRO  44   0.703   5.329 -10.039
  313   1HB   PRO  44          2HB       PRO  44   3.490   5.362  -9.004
  314   2HB   PRO  44          1HB       PRO  44   2.496   6.695  -9.604
  315   1HG   PRO  44          2HG       PRO  44   2.948   6.421  -7.001
  316   2HG   PRO  44          1HG       PRO  44   1.354   6.921  -7.592
  317   1HD   PRO  44          2HD       PRO  44   2.258   4.243  -6.598
  318   2HD   PRO  44          1HD       PRO  44   0.719   5.088  -6.321
  319    H    GLY  45           H        GLY  45   2.336   2.514  -8.830
  320   1HA   GLY  45          2HA       GLY  45   2.360   0.930 -10.966
  321   2HA   GLY  45          1HA       GLY  45   3.695   2.005 -11.357
  322    H    GLY  46           H        GLY  46   2.537   0.216  -8.496
  323   1HA   GLY  46          2HA       GLY  46   3.661  -1.060  -6.953
  324   2HA   GLY  46          1HA       GLY  46   4.664  -1.568  -8.304
  325    H    PHE  47           H        PHE  47   4.282   1.632  -6.866
  326    HA   PHE  47           HA       PHE  47   6.948   2.342  -6.939
  327   1HB   PHE  47          2HB       PHE  47   6.367   4.074  -5.271
  328   2HB   PHE  47          1HB       PHE  47   5.213   3.983  -6.590
  329    HD1  PHE  47           1HD      PHE  47   4.082   1.273  -5.066
  330    HD2  PHE  47           2HD      PHE  47   4.595   5.390  -4.135
  331    HE1  PHE  47           1HE      PHE  47   2.234   1.138  -3.462
  332    HE2  PHE  47           2HE      PHE  47   2.748   5.260  -2.526
  333    HZ   PHE  47           HZ       PHE  47   1.561   3.133  -2.192
  334    H    GLU  48           H        GLU  48   6.545   2.925  -3.718
  335    HA   GLU  48           HA       GLU  48   7.657   0.334  -2.880
  336   1HB   GLU  48          2HB       GLU  48   9.438   1.658  -1.603
  337   2HB   GLU  48          1HB       GLU  48   9.656   1.484  -3.339
  338   1HG   GLU  48          2HG       GLU  48   8.569   3.755  -3.563
  339   2HG   GLU  48          1HG       GLU  48   8.752   3.901  -1.817
  340    H    TYR  49           H        TYR  49   7.798   0.097  -0.582
  341    HA   TYR  49           HA       TYR  49   6.328   1.922   1.129
  342   1HB   TYR  49          2HB       TYR  49   4.705   0.370   1.860
  343   2HB   TYR  49          1HB       TYR  49   4.537   0.511   0.138
  344    HD1  TYR  49           1HD      TYR  49   7.309  -1.432   0.261
  345    HD2  TYR  49           2HD      TYR  49   3.201  -1.645   1.336
  346    HE1  TYR  49           1HE      TYR  49   7.419  -3.878   0.191
  347    HE2  TYR  49           2HE      TYR  49   3.302  -4.090   1.265
  348    HH   TYR  49           HH       TYR  49   5.035  -5.853   1.503
  349    H    SER  50           H        SER  50   6.156   1.005   3.313
  350    HA   SER  50           HA       SER  50   8.374  -0.779   3.979
  351   1HB   SER  50          2HB       SER  50   8.013   1.662   5.645
  352   2HB   SER  50          1HB       SER  50   9.448   0.670   5.406
  353    HG   SER  50           HG       SER  50   8.310   2.412   3.473
  354    H    ASN  51           H        ASN  51   6.670  -2.219   4.351
  355    HA   ASN  51           HA       ASN  51   4.437  -1.868   5.864
  356   1HB   ASN  51          2HB       ASN  51   6.164  -4.334   5.867
  357   2HB   ASN  51          1HB       ASN  51   4.497  -4.238   6.420
  358   1HD2  ASN  51          1HD2      ASN  51   2.872  -3.658   4.860
  359   2HD2  ASN  51          2HD2      ASN  51   3.089  -4.097   3.205
  360    H    GLY  52           H        GLY  52   3.971  -1.458   7.803
  361   1HA   GLY  52          2HA       GLY  52   4.189  -1.737  10.186
  362   2HA   GLY  52          1HA       GLY  52   5.921  -1.931   9.961
  363    HA   PRO  53           HA       PRO  53   4.704   2.501  11.292
  364   1HB   PRO  53          2HB       PRO  53   6.509   2.490  13.399
  365   2HB   PRO  53          1HB       PRO  53   4.777   2.178  13.549
  366   1HG   PRO  53          2HG       PRO  53   7.048   0.241  13.396
  367   2HG   PRO  53          1HG       PRO  53   5.583   0.179  14.396
  368   1HD   PRO  53          2HD       PRO  53   5.829  -1.315  12.185
  369   2HD   PRO  53          1HD       PRO  53   4.272  -0.594  12.643
  370    H    CYS  54           H        CYS  54   5.907   4.242  10.710
  371    HA   CYS  54           HA       CYS  54   8.740   4.252  10.544
  372   1HB   CYS  54          2HB       CYS  54   8.896   3.122   8.586
  373   2HB   CYS  54          1HB       CYS  54   7.201   3.372   8.195
  374    H    GLU  55           H        GLU  55   5.958   5.637   8.792
  375    HA   GLU  55           HA       GLU  55   7.073   8.303   9.072
  376   1HB   GLU  55          2HB       GLU  55   6.081   7.774   6.944
  377   2HB   GLU  55          1HB       GLU  55   4.588   7.257   7.710
  378   1HG   GLU  55          2HG       GLU  55   4.072   9.352   6.869
  379   2HG   GLU  55          1HG       GLU  55   4.424   9.671   8.566
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1  12.894  -2.350   1.962
    2   2H    ALA   1          2H        ALA   1  12.332  -1.084   0.949
    3   3H    ALA   1          3H        ALA   1  13.196  -2.406   0.275
    4    HA   ALA   1           HA       ALA   1  11.464  -3.891   0.827
    5   1HB   ALA   1          1HB       ALA   1   9.492  -3.255   1.949
    6   2HB   ALA   1          2HB       ALA   1   9.878  -1.539   1.816
    7   3HB   ALA   1          3HB       ALA   1  10.818  -2.574   2.893
    8    H    HIS   2           H        HIS   2   9.218  -3.865  -0.286
    9    HA   HIS   2           HA       HIS   2   8.971  -1.903  -2.394
   10   1HB   HIS   2          2HB       HIS   2  10.285  -4.368  -2.832
   11   2HB   HIS   2          1HB       HIS   2   8.700  -4.493  -3.587
   12    HD1  HIS   2           1HD      HIS   2  12.019  -2.952  -3.992
   13    HD2  HIS   2           2HD      HIS   2   8.228  -2.540  -5.641
   14    HE1  HIS   2           1HE      HIS   2  12.345  -1.624  -6.102
   15    HE2  HIS   2           2HE      HIS   2  10.024  -1.300  -7.028
   16    H    MET   3           H        MET   3   7.209  -3.206  -3.908
   17    HA   MET   3           HA       MET   3   4.801  -2.898  -2.446
   18   1HB   MET   3          2HB       MET   3   3.719  -3.704  -4.575
   19   2HB   MET   3          1HB       MET   3   4.764  -2.300  -4.744
   20   1HG   MET   3          2HG       MET   3   6.463  -3.553  -5.767
   21   2HG   MET   3          1HG       MET   3   5.741  -5.084  -5.275
   22   1HE   MET   3          1HE       MET   3   5.800  -2.124  -7.601
   23   2HE   MET   3          2HE       MET   3   5.050  -2.764  -9.063
   24   3HE   MET   3          3HE       MET   3   6.542  -3.479  -8.450
   25    H    ASP   4           H        ASP   4   3.007  -4.611  -2.787
   26    HA   ASP   4           HA       ASP   4   3.538  -7.351  -2.851
   27   1HB   ASP   4          2HB       ASP   4   4.588  -6.340  -0.544
   28   2HB   ASP   4          1HB       ASP   4   2.961  -6.752  -0.011
   29    H    CYS   5           H        CYS   5   1.599  -6.800  -4.122
   30    HA   CYS   5           HA       CYS   5  -0.792  -6.037  -2.725
   31   1HB   CYS   5          2HB       CYS   5  -0.096  -5.611  -5.218
   32   2HB   CYS   5          1HB       CYS   5  -0.795  -7.200  -5.488
   33    H    THR   6           H        THR   6  -2.850  -7.443  -3.327
   34    HA   THR   6           HA       THR   6  -2.769  -9.699  -1.747
   35    HB   THR   6           HB       THR   6  -4.897  -8.797  -2.129
   36    HG1  THR   6           1HG      THR   6  -5.473 -10.830  -2.184
   37   1HG2  THR   6          1HG2      THR   6  -5.085  -7.540  -3.972
   38   2HG2  THR   6          2HG2      THR   6  -5.756  -9.014  -4.669
   39   3HG2  THR   6          3HG2      THR   6  -4.062  -8.603  -4.938
   40    H    GLU   7           H        GLU   7  -4.042 -10.704  -4.901
   41    HA   GLU   7           HA       GLU   7  -1.755 -11.806  -6.010
   42   1HB   GLU   7          2HB       GLU   7  -1.277 -13.686  -4.906
   43   2HB   GLU   7          1HB       GLU   7  -2.269 -13.039  -3.612
   44   1HG   GLU   7          2HG       GLU   7  -3.124 -15.152  -3.858
   45   2HG   GLU   7          1HG       GLU   7  -4.218 -14.202  -4.860
   46    H    PHE   8           H        PHE   8  -5.195 -11.845  -5.599
   47    HA   PHE   8           HA       PHE   8  -5.552 -13.514  -7.977
   48   1HB   PHE   8          2HB       PHE   8  -7.523 -12.433  -5.957
   49   2HB   PHE   8          1HB       PHE   8  -7.987 -13.366  -7.374
   50    HD1  PHE   8           1HD      PHE   8  -7.411 -15.731  -7.551
   51    HD2  PHE   8           2HD      PHE   8  -6.542 -13.477  -4.048
   52    HE1  PHE   8           1HE      PHE   8  -7.088 -17.822  -6.292
   53    HE2  PHE   8           2HE      PHE   8  -6.213 -15.563  -2.782
   54    HZ   PHE   8           HZ       PHE   8  -6.487 -17.739  -3.905
   55    H    ASN   9           H        ASN   9  -7.806 -12.633  -9.099
   56    HA   ASN   9           HA       ASN   9  -6.959 -10.374 -10.597
   57   1HB   ASN   9          2HB       ASN   9  -9.178 -12.288 -10.660
   58   2HB   ASN   9          1HB       ASN   9  -9.651 -10.666 -11.158
   59   1HD2  ASN   9          1HD2      ASN   9  -7.335 -13.248 -11.754
   60   2HD2  ASN   9          2HD2      ASN   9  -7.047 -12.854 -13.411
   61    HA   PRO  10           HA       PRO  10 -10.491  -8.092  -8.205
   62   1HB   PRO  10          2HB       PRO  10 -11.355  -9.256  -5.897
   63   2HB   PRO  10          1HB       PRO  10 -12.140  -9.506  -7.460
   64   1HG   PRO  10          2HG       PRO  10 -10.213 -11.262  -6.003
   65   2HG   PRO  10          1HG       PRO  10 -11.661 -11.706  -6.923
   66   1HD   PRO  10          2HD       PRO  10  -9.152 -11.947  -7.915
   67   2HD   PRO  10          1HD       PRO  10 -10.560 -11.614  -8.940
   68    H    LEU  11           H        LEU  11  -8.148  -7.374  -8.039
   69    HA   LEU  11           HA       LEU  11  -6.529  -7.624  -5.817
   70   1HB   LEU  11          2HB       LEU  11  -5.698  -5.322  -6.478
   71   2HB   LEU  11          1HB       LEU  11  -5.590  -6.599  -7.665
   72    HG   LEU  11           HG       LEU  11  -6.421  -4.197  -8.334
   73   1HD1  LEU  11          1HD1      LEU  11  -6.533  -6.681  -9.482
   74   2HD1  LEU  11          2HD1      LEU  11  -6.901  -5.153 -10.280
   75   3HD1  LEU  11          3HD1      LEU  11  -8.202  -6.121  -9.588
   76   1HD2  LEU  11          1HD2      LEU  11  -8.773  -3.867  -8.258
   77   2HD2  LEU  11          2HD2      LEU  11  -8.245  -4.229  -6.615
   78   3HD2  LEU  11          3HD2      LEU  11  -9.041  -5.472  -7.580
   79    H    CYS  12           H        CYS  12  -6.100  -5.053  -4.898
   80    HA   CYS  12           HA       CYS  12  -6.880  -4.770  -2.519
   81   1HB   CYS  12          2HB       CYS  12  -7.178  -2.387  -2.657
   82   2HB   CYS  12          1HB       CYS  12  -5.931  -2.885  -3.788
   83    H    ARG  13           H        ARG  13  -8.646  -6.333  -2.569
   84    HA   ARG  13           HA       ARG  13 -11.309  -5.123  -2.846
   85   1HB   ARG  13          2HB       ARG  13 -12.187  -7.385  -2.592
   86   2HB   ARG  13          1HB       ARG  13 -10.965  -7.354  -3.855
   87   1HG   ARG  13          2HG       ARG  13  -9.343  -8.108  -1.999
   88   2HG   ARG  13          1HG       ARG  13 -10.808  -8.536  -1.113
   89   1HD   ARG  13          2HD       ARG  13 -11.385  -9.678  -3.457
   90   2HD   ARG  13          1HD       ARG  13  -9.627  -9.752  -3.542
   91    HE   ARG  13           HE       ARG  13 -11.350 -11.267  -1.803
   92   1HH1  ARG  13          1HH1      ARG  13  -8.115 -10.050  -2.294
   93   2HH1  ARG  13          2HH1      ARG  13  -7.374 -11.260  -1.300
   94   1HH2  ARG  13          1HH2      ARG  13 -10.376 -12.860  -0.497
   95   2HH2  ARG  13          2HH2      ARG  13  -8.657 -12.856  -0.280
   96    H    CYS  14           H        CYS  14  -9.433  -4.334  -0.832
   97    HA   CYS  14           HA       CYS  14 -10.849  -5.169   1.602
   98   1HB   CYS  14          2HB       CYS  14  -8.155  -4.042   1.931
   99   2HB   CYS  14          1HB       CYS  14  -8.889  -5.443   2.698
  100    H    ASN  15           H        ASN  15 -12.306  -3.511   1.722
  101    HA   ASN  15           HA       ASN  15 -11.403  -0.745   1.458
  102   1HB   ASN  15          2HB       ASN  15 -13.855  -2.132   1.124
  103   2HB   ASN  15          1HB       ASN  15 -14.096  -0.904   2.340
  104   1HD2  ASN  15          1HD2      ASN  15 -12.327   1.020   1.450
  105   2HD2  ASN  15          2HD2      ASN  15 -12.909   1.673  -0.040
  106    H    LYS  16           H        LYS  16 -12.540  -3.022   3.808
  107    HA   LYS  16           HA       LYS  16 -13.172  -1.441   5.954
  108   1HB   LYS  16          2HB       LYS  16 -12.807  -3.350   7.352
  109   2HB   LYS  16          1HB       LYS  16 -13.415  -3.933   5.809
  110   1HG   LYS  16          2HG       LYS  16 -10.561  -3.858   5.714
  111   2HG   LYS  16          1HG       LYS  16 -11.074  -4.711   7.173
  112   1HD   LYS  16          2HD       LYS  16 -12.766  -5.775   5.341
  113   2HD   LYS  16          1HD       LYS  16 -11.348  -5.463   4.338
  114   1HE   LYS  16          2HE       LYS  16 -10.434  -7.327   5.125
  115   2HE   LYS  16          1HE       LYS  16 -10.389  -6.590   6.727
  116   1HZ   LYS  16          1HZ       LYS  16 -11.625  -8.827   6.350
  117   2HZ   LYS  16          2HZ       LYS  16 -12.879  -7.837   5.795
  118   3HZ   LYS  16          3HZ       LYS  16 -12.296  -7.656   7.371
  119    H    MET  17           H        MET  17 -11.347   0.121   5.079
  120    HA   MET  17           HA       MET  17  -8.704  -0.026   5.720
  121   1HB   MET  17          2HB       MET  17  -8.982   2.488   6.365
  122   2HB   MET  17          1HB       MET  17  -9.256   1.962   4.714
  123   1HG   MET  17          2HG       MET  17 -11.539   2.227   4.861
  124   2HG   MET  17          1HG       MET  17 -11.544   2.092   6.618
  125   1HE   MET  17          1HE       MET  17  -8.760   4.669   5.202
  126   2HE   MET  17          2HE       MET  17  -9.893   5.718   4.349
  127   3HE   MET  17          3HE       MET  17  -9.754   4.019   3.898
  128    H    LEU  18           H        LEU  18  -8.330  -1.272   7.517
  129    HA   LEU  18           HA       LEU  18  -8.025   0.104   9.956
  130   1HB   LEU  18          2HB       LEU  18  -9.571  -1.019  11.366
  131   2HB   LEU  18          1HB       LEU  18 -10.481  -0.395  10.004
  132    HG   LEU  18           HG       LEU  18  -9.744  -3.003   9.270
  133   1HD1  LEU  18          1HD1      LEU  18 -11.178  -3.376  11.812
  134   2HD1  LEU  18          2HD1      LEU  18  -9.464  -2.982  11.951
  135   3HD1  LEU  18          3HD1      LEU  18  -9.970  -4.393  11.023
  136   1HD2  LEU  18          1HD2      LEU  18 -12.394  -2.123  10.395
  137   2HD2  LEU  18          2HD2      LEU  18 -12.088  -3.391   9.209
  138   3HD2  LEU  18          3HD2      LEU  18 -11.835  -1.701   8.776
  139    H    GLY  19           H        GLY  19  -6.185  -1.029   8.522
  140   1HA   GLY  19          2HA       GLY  19  -5.539  -3.534   9.952
  141   2HA   GLY  19          1HA       GLY  19  -5.113  -3.274   8.267
  142    H    ASP  20           H        ASP  20  -2.926  -3.420   8.434
  143    HA   ASP  20           HA       ASP  20  -1.402  -2.190  10.480
  144   1HB   ASP  20          2HB       ASP  20  -0.421  -3.031   7.757
  145   2HB   ASP  20          1HB       ASP  20   0.511  -2.894   9.236
  146    H    LEU  21           H        LEU  21   0.568  -0.839   9.613
  147    HA   LEU  21           HA       LEU  21  -0.485   1.404   8.042
  148   1HB   LEU  21          2HB       LEU  21   0.073   2.914   9.617
  149   2HB   LEU  21          1HB       LEU  21  -0.092   1.542  10.689
  150    HG   LEU  21           HG       LEU  21   2.453   1.235  10.344
  151   1HD1  LEU  21          1HD1      LEU  21   2.170   3.210   8.525
  152   2HD1  LEU  21          2HD1      LEU  21   3.675   2.855   9.368
  153   3HD1  LEU  21          3HD1      LEU  21   2.624   4.145   9.948
  154   1HD2  LEU  21          1HD2      LEU  21   0.896   2.602  12.209
  155   2HD2  LEU  21          2HD2      LEU  21   2.253   3.673  11.866
  156   3HD2  LEU  21          3HD2      LEU  21   2.549   2.024  12.416
  157    H    ILE  22           H        ILE  22   0.493   1.146   6.164
  158    HA   ILE  22           HA       ILE  22   3.261   0.321   6.010
  159    HB   ILE  22           HB       ILE  22   2.066  -0.780   4.388
  160   1HG1  ILE  22          2HG1      ILE  22   3.938   0.800   3.439
  161   2HG1  ILE  22          1HG1      ILE  22   2.929  -0.175   2.377
  162   1HG2  ILE  22          1HG2      ILE  22  -0.056   0.229   4.619
  163   2HG2  ILE  22          2HG2      ILE  22   0.385   0.285   2.913
  164   3HG2  ILE  22          3HG2      ILE  22   0.529   1.733   3.907
  165   1HD1  ILE  22          1HD1      ILE  22   1.692   1.638   1.660
  166   2HD1  ILE  22          2HD1      ILE  22   3.315   2.309   1.801
  167   3HD1  ILE  22          3HD1      ILE  22   2.123   2.619   3.060
  168    H    CYS  23           H        CYS  23   4.866   1.493   4.825
  169    HA   CYS  23           HA       CYS  23   4.397   4.406   4.846
  170   1HB   CYS  23          2HB       CYS  23   6.252   3.045   6.314
  171   2HB   CYS  23          1HB       CYS  23   7.189   3.451   4.882
  172    H    ALA  24           H        ALA  24   3.634   4.405   2.705
  173    HA   ALA  24           HA       ALA  24   5.240   3.300   0.600
  174   1HB   ALA  24          1HB       ALA  24   3.481   4.770  -0.755
  175   2HB   ALA  24          2HB       ALA  24   2.630   4.683   0.787
  176   3HB   ALA  24          3HB       ALA  24   3.073   3.201  -0.061
  177    H    VAL  25           H        VAL  25   6.607   4.291  -0.737
  178    HA   VAL  25           HA       VAL  25   6.974   7.206  -0.508
  179    HB   VAL  25           HB       VAL  25   9.297   5.330  -0.888
  180   1HG1  VAL  25          1HG1      VAL  25   9.958   7.454  -1.506
  181   2HG1  VAL  25          2HG1      VAL  25  10.414   7.413   0.198
  182   3HG1  VAL  25          3HG1      VAL  25   8.936   8.237  -0.301
  183   1HG2  VAL  25          1HG2      VAL  25   9.018   4.623   1.216
  184   2HG2  VAL  25          2HG2      VAL  25   7.806   5.856   1.563
  185   3HG2  VAL  25          3HG2      VAL  25   9.522   6.244   1.696
  186    H    ILE  26           H        ILE  26   7.257   8.274  -2.389
  187    HA   ILE  26           HA       ILE  26   7.749   6.694  -4.817
  188    HB   ILE  26           HB       ILE  26   6.038   8.624  -5.745
  189   1HG1  ILE  26          2HG1      ILE  26   5.445   9.075  -3.314
  190   2HG1  ILE  26          1HG1      ILE  26   4.093   8.726  -4.384
  191   1HG2  ILE  26          1HG2      ILE  26   6.189   5.809  -5.606
  192   2HG2  ILE  26          2HG2      ILE  26   5.269   6.804  -6.734
  193   3HG2  ILE  26          3HG2      ILE  26   4.529   6.267  -5.228
  194   1HD1  ILE  26          1HD1      ILE  26   5.071   6.305  -3.196
  195   2HD1  ILE  26          2HD1      ILE  26   3.466   7.032  -3.110
  196   3HD1  ILE  26          3HD1      ILE  26   4.712   7.504  -1.954
  197    H    GLY  27           H        GLY  27   9.829   7.524  -4.855
  198   1HA   GLY  27          2HA       GLY  27  11.451   8.909  -5.705
  199   2HA   GLY  27          1HA       GLY  27  10.160   9.933  -6.319
  200    H    ASP  28           H        ASP  28   8.913  10.947  -4.320
  201    HA   ASP  28           HA       ASP  28  10.669  11.807  -2.200
  202   1HB   ASP  28          2HB       ASP  28  11.260  13.318  -4.087
  203   2HB   ASP  28          1HB       ASP  28   9.579  13.842  -4.158
  204    H    ALA  29           H        ALA  29   8.027  10.453  -2.669
  205    HA   ALA  29           HA       ALA  29   6.431  12.247  -0.951
  206   1HB   ALA  29          1HB       ALA  29   4.945  12.346  -2.612
  207   2HB   ALA  29          2HB       ALA  29   4.564  10.669  -2.223
  208   3HB   ALA  29          3HB       ALA  29   5.725  11.037  -3.499
  209    H    LYS  30           H        LYS  30   7.485  11.062   0.783
  210    HA   LYS  30           HA       LYS  30   6.686   8.278   1.103
  211   1HB   LYS  30          2HB       LYS  30   8.988   8.804   1.634
  212   2HB   LYS  30          1HB       LYS  30   8.484  10.070   2.744
  213   1HG   LYS  30          2HG       LYS  30   7.383   8.297   4.126
  214   2HG   LYS  30          1HG       LYS  30   8.144   7.101   3.076
  215   1HD   LYS  30          2HD       LYS  30   9.658   9.218   4.601
  216   2HD   LYS  30          1HD       LYS  30   9.398   7.573   5.188
  217   1HE   LYS  30          2HE       LYS  30  10.893   6.677   3.741
  218   2HE   LYS  30          1HE       LYS  30  10.503   7.824   2.461
  219   1HZ   LYS  30          1HZ       LYS  30  12.116   8.468   4.870
  220   2HZ   LYS  30          2HZ       LYS  30  11.815   9.493   3.560
  221   3HZ   LYS  30          3HZ       LYS  30  12.760   8.106   3.348
  222    H    GLU  31           H        GLU  31   4.576   8.162   1.691
  223    HA   GLU  31           HA       GLU  31   3.809   9.587   4.152
  224   1HB   GLU  31          2HB       GLU  31   1.875   8.991   1.920
  225   2HB   GLU  31          1HB       GLU  31   1.639  10.043   3.309
  226   1HG   GLU  31          2HG       GLU  31   3.075  11.691   2.429
  227   2HG   GLU  31          1HG       GLU  31   3.698  10.596   1.197
  228    H    GLU  32           H        GLU  32   1.812   8.561   5.166
  229    HA   GLU  32           HA       GLU  32   2.273   5.682   5.296
  230   1HB   GLU  32          2HB       GLU  32   2.032   7.364   7.313
  231   2HB   GLU  32          1HB       GLU  32   0.314   7.097   7.051
  232   1HG   GLU  32          2HG       GLU  32   1.955   4.667   7.174
  233   2HG   GLU  32          1HG       GLU  32   1.862   5.596   8.668
  234    H    HIS  33           H        HIS  33   0.519   4.181   5.292
  235    HA   HIS  33           HA       HIS  33  -2.041   5.094   4.278
  236   1HB   HIS  33          2HB       HIS  33  -0.041   4.128   2.506
  237   2HB   HIS  33          1HB       HIS  33  -1.292   2.893   2.613
  238    HD1  HIS  33           1HD      HIS  33  -3.657   3.525   1.741
  239    HD2  HIS  33           2HD      HIS  33  -0.785   6.480   1.214
  240    HE1  HIS  33           1HE      HIS  33  -4.673   5.169   0.132
  241    HE2  HIS  33           2HE      HIS  33  -2.891   6.916  -0.222
  242    H    ARG  34           H        ARG  34  -3.593   3.989   5.260
  243    HA   ARG  34           HA       ARG  34  -2.925   1.675   6.840
  244   1HB   ARG  34          2HB       ARG  34  -5.665   2.833   6.358
  245   2HB   ARG  34          1HB       ARG  34  -5.169   1.779   7.674
  246   1HG   ARG  34          2HG       ARG  34  -4.320   4.630   7.221
  247   2HG   ARG  34          1HG       ARG  34  -5.373   4.020   8.498
  248   1HD   ARG  34          2HD       ARG  34  -2.474   3.270   8.125
  249   2HD   ARG  34          1HD       ARG  34  -3.073   4.463   9.277
  250    HE   ARG  34           HE       ARG  34  -4.239   1.830   9.530
  251   1HH1  ARG  34          1HH1      ARG  34  -1.680   3.977  10.551
  252   2HH1  ARG  34          2HH1      ARG  34  -1.393   3.131  12.033
  253   1HH2  ARG  34          1HH2      ARG  34  -3.858   0.717  11.480
  254   2HH2  ARG  34          2HH2      ARG  34  -2.627   1.282  12.560
  255    H    ASN  35           H        ASN  35  -5.217   2.277   4.153
  256    HA   ASN  35           HA       ASN  35  -5.687  -0.548   3.861
  257   1HB   ASN  35          2HB       ASN  35  -7.024   1.809   3.040
  258   2HB   ASN  35          1HB       ASN  35  -6.630   0.910   1.579
  259   1HD2  ASN  35          1HD2      ASN  35  -9.224   1.401   2.897
  260   2HD2  ASN  35          2HD2      ASN  35  -9.897  -0.160   3.190
  261    H    MET  36           H        MET  36  -3.269  -0.798   3.646
  262    HA   MET  36           HA       MET  36  -1.741  -0.120   1.488
  263   1HB   MET  36          2HB       MET  36  -0.781  -1.316   3.314
  264   2HB   MET  36          1HB       MET  36  -1.863  -2.679   3.075
  265   1HG   MET  36          2HG       MET  36  -0.050  -1.951   0.845
  266   2HG   MET  36          1HG       MET  36   0.656  -2.709   2.270
  267   1HE   MET  36          1HE       MET  36  -2.157  -4.864   2.924
  268   2HE   MET  36          2HE       MET  36  -0.475  -4.660   3.413
  269   3HE   MET  36          3HE       MET  36  -0.966  -6.100   2.522
  270    H    CYS  37           H        CYS  37  -4.469  -2.266   1.571
  271    HA   CYS  37           HA       CYS  37  -3.971  -3.814  -0.709
  272   1HB   CYS  37          2HB       CYS  37  -6.463  -2.953   0.712
  273   2HB   CYS  37          1HB       CYS  37  -6.592  -3.772  -0.839
  274    H    ALA  38           H        ALA  38  -6.202  -1.051  -0.531
  275    HA   ALA  38           HA       ALA  38  -6.579  -0.636  -3.219
  276   1HB   ALA  38          1HB       ALA  38  -7.908   0.599  -1.696
  277   2HB   ALA  38          2HB       ALA  38  -6.971   1.783  -2.608
  278   3HB   ALA  38          3HB       ALA  38  -6.491   1.355  -0.966
  279    H    LEU  39           H        LEU  39  -3.811   0.178  -1.287
  280    HA   LEU  39           HA       LEU  39  -2.623   1.894  -3.258
  281   1HB   LEU  39          2HB       LEU  39  -2.155   1.218  -0.585
  282   2HB   LEU  39          1HB       LEU  39  -0.726   0.694  -1.448
  283    HG   LEU  39           HG       LEU  39  -0.301   2.905  -2.260
  284   1HD1  LEU  39          1HD1      LEU  39  -1.892   4.747  -1.307
  285   2HD1  LEU  39          2HD1      LEU  39  -3.063   3.428  -1.312
  286   3HD1  LEU  39          3HD1      LEU  39  -2.268   3.907  -2.811
  287   1HD2  LEU  39          1HD2      LEU  39  -0.899   2.657   0.657
  288   2HD2  LEU  39          2HD2      LEU  39  -0.304   4.180  -0.005
  289   3HD2  LEU  39          3HD2      LEU  39   0.661   2.712  -0.164
  290    H    CYS  40           H        CYS  40  -2.214  -1.460  -2.252
  291    HA   CYS  40           HA       CYS  40  -0.063  -2.062  -3.946
  292   1HB   CYS  40          2HB       CYS  40  -0.365  -4.282  -3.343
  293   2HB   CYS  40          1HB       CYS  40  -1.062  -3.422  -1.978
  294    H    CYS  41           H        CYS  41  -3.493  -1.873  -4.461
  295    HA   CYS  41           HA       CYS  41  -3.316  -3.091  -7.087
  296   1HB   CYS  41          2HB       CYS  41  -5.558  -3.366  -6.943
  297   2HB   CYS  41          1HB       CYS  41  -5.211  -3.206  -5.237
  298    H    GLU  42           H        GLU  42  -3.876   0.064  -5.643
  299    HA   GLU  42           HA       GLU  42  -3.835   1.234  -8.356
  300   1HB   GLU  42          2HB       GLU  42  -5.993   1.429  -7.138
  301   2HB   GLU  42          1HB       GLU  42  -5.172   2.386  -5.913
  302   1HG   GLU  42          2HG       GLU  42  -4.537   3.585  -8.353
  303   2HG   GLU  42          1HG       GLU  42  -6.253   3.195  -8.442
  304    H    HIS  43           H        HIS  43  -1.413   0.802  -6.775
  305    HA   HIS  43           HA       HIS  43  -0.710   3.407  -5.728
  306   1HB   HIS  43          2HB       HIS  43   1.667   2.358  -5.733
  307   2HB   HIS  43          1HB       HIS  43   0.468   1.774  -4.589
  308    HD1  HIS  43           1HD      HIS  43   0.747   0.716  -8.218
  309    HD2  HIS  43           2HD      HIS  43   1.257  -0.794  -4.386
  310    HE1  HIS  43           1HE      HIS  43   1.157  -1.748  -8.522
  311    HE2  HIS  43           2HE      HIS  43   1.558  -2.629  -6.194
  312    HA   PRO  44           HA       PRO  44   1.033   5.349  -9.247
  313   1HB   PRO  44          2HB       PRO  44   3.526   5.992  -7.839
  314   2HB   PRO  44          1HB       PRO  44   2.244   7.071  -8.393
  315   1HG   PRO  44          2HG       PRO  44   2.652   6.569  -5.780
  316   2HG   PRO  44          1HG       PRO  44   1.031   6.849  -6.444
  317   1HD   PRO  44          2HD       PRO  44   2.368   4.257  -5.737
  318   2HD   PRO  44          1HD       PRO  44   0.697   4.782  -5.429
  319    H    GLY  45           H        GLY  45   1.370   3.472 -10.545
  320   1HA   GLY  45          2HA       GLY  45   2.603   1.946 -11.745
  321   2HA   GLY  45          1HA       GLY  45   3.851   3.178 -11.679
  322    H    GLY  46           H        GLY  46   2.464   1.114  -9.131
  323   1HA   GLY  46          2HA       GLY  46   3.461  -0.352  -7.675
  324   2HA   GLY  46          1HA       GLY  46   4.587  -0.706  -8.975
  325    H    PHE  47           H        PHE  47   3.922   1.940  -6.687
  326    HA   PHE  47           HA       PHE  47   6.562   2.914  -6.622
  327   1HB   PHE  47          2HB       PHE  47   5.826   4.143  -4.614
  328   2HB   PHE  47          1HB       PHE  47   4.652   4.255  -5.915
  329    HD1  PHE  47           1HD      PHE  47   3.576   5.061  -3.546
  330    HD2  PHE  47           2HD      PHE  47   4.227   1.038  -4.770
  331    HE1  PHE  47           1HE      PHE  47   1.809   4.310  -2.016
  332    HE2  PHE  47           2HE      PHE  47   2.464   0.285  -3.246
  333    HZ   PHE  47           HZ       PHE  47   1.253   1.920  -1.870
  334    H    GLU  48           H        GLU  48   6.791   2.974  -3.610
  335    HA   GLU  48           HA       GLU  48   7.441   0.165  -3.077
  336   1HB   GLU  48          2HB       GLU  48   9.619   1.169  -1.995
  337   2HB   GLU  48          1HB       GLU  48   9.568   0.745  -3.698
  338   1HG   GLU  48          2HG       GLU  48   8.978   3.156  -4.153
  339   2HG   GLU  48          1HG       GLU  48   9.375   3.475  -2.465
  340    H    TYR  49           H        TYR  49   6.265  -0.272  -1.321
  341    HA   TYR  49           HA       TYR  49   6.275   1.686   0.892
  342   1HB   TYR  49          2HB       TYR  49   4.308   0.565   1.726
  343   2HB   TYR  49          1HB       TYR  49   4.037   1.370   0.216
  344    HD1  TYR  49           1HD      TYR  49   5.143  -2.048   1.295
  345    HD2  TYR  49           2HD      TYR  49   2.538   0.289  -1.117
  346    HE1  TYR  49           1HE      TYR  49   4.069  -4.099   0.481
  347    HE2  TYR  49           2HE      TYR  49   1.463  -1.752  -1.946
  348    HH   TYR  49           HH       TYR  49   1.270  -4.328  -0.733
  349    H    SER  50           H        SER  50   6.246   0.863   2.995
  350    HA   SER  50           HA       SER  50   7.441  -1.800   3.307
  351   1HB   SER  50          2HB       SER  50   8.930  -0.728   5.111
  352   2HB   SER  50          1HB       SER  50   9.382  -0.485   3.425
  353    HG   SER  50           HG       SER  50   8.643   1.341   5.304
  354    H    ASN  51           H        ASN  51   5.655  -2.657   4.204
  355    HA   ASN  51           HA       ASN  51   3.886  -1.466   5.941
  356   1HB   ASN  51          2HB       ASN  51   4.664  -4.375   6.009
  357   2HB   ASN  51          1HB       ASN  51   3.163  -3.660   6.591
  358   1HD2  ASN  51          1HD2      ASN  51   1.500  -3.689   5.264
  359   2HD2  ASN  51          2HD2      ASN  51   1.570  -3.911   3.552
  360    H    GLY  52           H        GLY  52   3.841  -0.946   7.970
  361   1HA   GLY  52          2HA       GLY  52   4.579  -1.820  10.272
  362   2HA   GLY  52          1HA       GLY  52   6.197  -1.591   9.627
  363    HA   PRO  53           HA       PRO  53   4.366   2.346  11.673
  364   1HB   PRO  53          2HB       PRO  53   5.923   2.331  13.920
  365   2HB   PRO  53          1HB       PRO  53   4.299   1.638  13.850
  366   1HG   PRO  53          2HG       PRO  53   6.954   0.273  13.645
  367   2HG   PRO  53          1HG       PRO  53   5.500  -0.232  14.526
  368   1HD   PRO  53          2HD       PRO  53   6.171  -1.299  12.143
  369   2HD   PRO  53          1HD       PRO  53   4.479  -1.055  12.623
  370    H    CYS  54           H        CYS  54   5.405   3.486  10.052
  371    HA   CYS  54           HA       CYS  54   8.232   4.129  10.565
  372   1HB   CYS  54          2HB       CYS  54   8.509   3.120   8.545
  373   2HB   CYS  54          1HB       CYS  54   6.832   3.356   8.081
  374    H    GLU  55           H        GLU  55   5.045   5.305   9.736
  375    HA   GLU  55           HA       GLU  55   5.597   7.922   9.016
  376   1HB   GLU  55          2HB       GLU  55   3.333   8.450   9.671
  377   2HB   GLU  55          1HB       GLU  55   3.357   6.858   8.928
  378   1HG   GLU  55          2HG       GLU  55   3.072   5.772  10.990
  379   2HG   GLU  55          1HG       GLU  55   3.465   7.228  11.901
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  12.610  -0.746  -0.879
    2   2H    ALA   1          2H        ALA   1  11.286   0.308  -0.588
    3   3H    ALA   1          3H        ALA   1  11.390  -0.555  -2.068
    4    HA   ALA   1           HA       ALA   1  11.406  -2.602  -0.580
    5   1HB   ALA   1          1HB       ALA   1  11.504  -1.856   1.579
    6   2HB   ALA   1          2HB       ALA   1   9.754  -1.969   1.378
    7   3HB   ALA   1          3HB       ALA   1  10.559  -0.406   1.237
    8    H    HIS   2           H        HIS   2  10.321  -2.881  -2.624
    9    HA   HIS   2           HA       HIS   2   7.440  -2.294  -2.485
   10   1HB   HIS   2          2HB       HIS   2   8.746  -1.136  -4.332
   11   2HB   HIS   2          1HB       HIS   2   8.997  -2.735  -5.029
   12    HD1  HIS   2           1HD      HIS   2   5.855  -1.226  -3.542
   13    HD2  HIS   2           2HD      HIS   2   7.255  -2.817  -7.113
   14    HE1  HIS   2           1HE      HIS   2   3.891  -1.218  -5.085
   15    HE2  HIS   2           2HE      HIS   2   4.714  -2.331  -7.194
   16    H    MET   3           H        MET   3   6.553  -4.122  -1.763
   17    HA   MET   3           HA       MET   3   6.511  -6.399  -3.478
   18   1HB   MET   3          2HB       MET   3   8.501  -6.378  -1.324
   19   2HB   MET   3          1HB       MET   3   7.521  -7.835  -1.401
   20   1HG   MET   3          2HG       MET   3   8.241  -7.342  -4.036
   21   2HG   MET   3          1HG       MET   3   9.688  -6.971  -3.099
   22   1HE   MET   3          1HE       MET   3   8.422 -10.829  -4.621
   23   2HE   MET   3          2HE       MET   3   7.800  -9.210  -4.940
   24   3HE   MET   3          3HE       MET   3   7.051 -10.213  -3.698
   25    H    ASP   4           H        ASP   4   6.502  -6.526   0.048
   26    HA   ASP   4           HA       ASP   4   4.370  -8.165   0.397
   27   1HB   ASP   4          2HB       ASP   4   5.949  -7.412   2.157
   28   2HB   ASP   4          1HB       ASP   4   5.067  -5.891   2.250
   29    H    CYS   5           H        CYS   5   2.622  -7.717  -0.998
   30    HA   CYS   5           HA       CYS   5   0.627  -6.070   0.200
   31   1HB   CYS   5          2HB       CYS   5   0.139  -4.612  -1.675
   32   2HB   CYS   5          1HB       CYS   5   1.770  -4.326  -1.092
   33    H    THR   6           H        THR   6  -1.330  -5.945  -1.571
   34    HA   THR   6           HA       THR   6  -2.334  -8.543  -1.709
   35    HB   THR   6           HB       THR   6  -3.872  -7.399  -3.528
   36    HG1  THR   6           1HG      THR   6  -3.031  -5.523  -4.014
   37   1HG2  THR   6          1HG2      THR   6  -3.984  -6.123  -0.835
   38   2HG2  THR   6          2HG2      THR   6  -4.314  -7.845  -1.027
   39   3HG2  THR   6          3HG2      THR   6  -5.300  -6.656  -1.879
   40    H    GLU   7           H        GLU   7  -0.257  -6.809  -4.013
   41    HA   GLU   7           HA       GLU   7  -0.484  -7.592  -6.442
   42   1HB   GLU   7          2HB       GLU   7   1.811  -7.491  -4.706
   43   2HB   GLU   7          1HB       GLU   7   2.040  -8.716  -5.944
   44   1HG   GLU   7          2HG       GLU   7   1.558  -7.063  -7.674
   45   2HG   GLU   7          1HG       GLU   7   1.336  -5.831  -6.433
   46    H    PHE   8           H        PHE   8  -2.043  -9.263  -6.602
   47    HA   PHE   8           HA       PHE   8  -0.882 -11.815  -7.176
   48   1HB   PHE   8          2HB       PHE   8  -1.800 -11.512  -4.576
   49   2HB   PHE   8          1HB       PHE   8  -3.150 -12.287  -5.393
   50    HD1  PHE   8           1HD      PHE   8  -1.804 -14.022  -7.321
   51    HD2  PHE   8           2HD      PHE   8  -0.826 -13.149  -3.271
   52    HE1  PHE   8           1HE      PHE   8  -0.667 -16.196  -7.130
   53    HE2  PHE   8           2HE      PHE   8   0.312 -15.321  -3.073
   54    HZ   PHE   8           HZ       PHE   8   0.393 -16.847  -5.004
   55    H    ASN   9           H        ASN   9  -3.563 -13.151  -7.021
   56    HA   ASN   9           HA       ASN   9  -4.507 -12.313  -9.571
   57   1HB   ASN   9          2HB       ASN   9  -6.158 -14.022  -7.738
   58   2HB   ASN   9          1HB       ASN   9  -5.992 -14.106  -9.486
   59   1HD2  ASN   9          1HD2      ASN   9  -3.795 -14.716 -10.274
   60   2HD2  ASN   9          2HD2      ASN   9  -2.954 -15.947  -9.399
   61    HA   PRO  10           HA       PRO  10  -8.040 -10.243  -7.210
   62   1HB   PRO  10          2HB       PRO  10  -8.352 -10.641  -4.559
   63   2HB   PRO  10          1HB       PRO  10  -8.869 -11.830  -5.758
   64   1HG   PRO  10          2HG       PRO  10  -6.641 -11.956  -3.862
   65   2HG   PRO  10          1HG       PRO  10  -7.412 -13.262  -4.773
   66   1HD   PRO  10          2HD       PRO  10  -4.960 -11.818  -5.363
   67   2HD   PRO  10          1HD       PRO  10  -5.613 -13.268  -6.150
   68    H    LEU  11           H        LEU  11  -6.802  -8.331  -7.645
   69    HA   LEU  11           HA       LEU  11  -4.911  -7.152  -6.010
   70   1HB   LEU  11          2HB       LEU  11  -6.997  -5.675  -7.609
   71   2HB   LEU  11          1HB       LEU  11  -5.440  -5.055  -7.097
   72    HG   LEU  11           HG       LEU  11  -5.452  -7.483  -8.813
   73   1HD1  LEU  11          1HD1      LEU  11  -6.125  -6.498 -10.723
   74   2HD1  LEU  11          2HD1      LEU  11  -5.499  -4.917 -10.256
   75   3HD1  LEU  11          3HD1      LEU  11  -7.048  -5.474  -9.623
   76   1HD2  LEU  11          1HD2      LEU  11  -3.706  -5.150  -9.287
   77   2HD2  LEU  11          2HD2      LEU  11  -3.326  -6.872  -9.279
   78   3HD2  LEU  11          3HD2      LEU  11  -3.487  -5.998  -7.756
   79    H    CYS  12           H        CYS  12  -5.330  -4.901  -4.971
   80    HA   CYS  12           HA       CYS  12  -6.033  -4.917  -2.523
   81   1HB   CYS  12          2HB       CYS  12  -6.900  -2.640  -2.579
   82   2HB   CYS  12          1HB       CYS  12  -5.523  -2.828  -3.652
   83    H    ARG  13           H        ARG  13  -7.459  -6.884  -2.783
   84    HA   ARG  13           HA       ARG  13 -10.300  -6.305  -2.979
   85   1HB   ARG  13          2HB       ARG  13  -8.887  -8.524  -3.582
   86   2HB   ARG  13          1HB       ARG  13  -9.394  -8.934  -1.949
   87   1HG   ARG  13          2HG       ARG  13 -11.744  -8.447  -2.645
   88   2HG   ARG  13          1HG       ARG  13 -11.154  -8.278  -4.299
   89   1HD   ARG  13          2HD       ARG  13 -10.659 -10.520  -4.493
   90   2HD   ARG  13          1HD       ARG  13 -10.481 -10.739  -2.753
   91    HE   ARG  13           HE       ARG  13 -12.896 -10.958  -4.292
   92   1HH1  ARG  13          1HH1      ARG  13 -11.580 -10.320  -1.123
   93   2HH1  ARG  13          2HH1      ARG  13 -13.025 -10.789  -0.291
   94   1HH2  ARG  13          1HH2      ARG  13 -14.799 -11.575  -3.198
   95   2HH2  ARG  13          2HH2      ARG  13 -14.852 -11.501  -1.468
   96    H    CYS  14           H        CYS  14  -8.877  -4.944  -0.909
   97    HA   CYS  14           HA       CYS  14 -10.336  -5.966   1.404
   98   1HB   CYS  14          2HB       CYS  14  -8.534  -6.028   2.790
   99   2HB   CYS  14          1HB       CYS  14  -7.675  -6.310   1.285
  100    H    ASN  15           H        ASN  15 -11.773  -4.519   1.934
  101    HA   ASN  15           HA       ASN  15 -11.472  -1.729   1.207
  102   1HB   ASN  15          2HB       ASN  15 -13.657  -3.479   1.738
  103   2HB   ASN  15          1HB       ASN  15 -13.762  -2.132   2.850
  104   1HD2  ASN  15          1HD2      ASN  15 -12.699  -0.120   1.297
  105   2HD2  ASN  15          2HD2      ASN  15 -13.768   0.205  -0.019
  106    H    LYS  16           H        LYS  16 -12.172  -3.516   4.159
  107    HA   LYS  16           HA       LYS  16 -12.318  -1.991   6.200
  108   1HB   LYS  16          2HB       LYS  16 -11.736  -4.393   6.347
  109   2HB   LYS  16          1HB       LYS  16 -10.049  -3.979   6.075
  110   1HG   LYS  16          2HG       LYS  16 -10.662  -2.371   8.178
  111   2HG   LYS  16          1HG       LYS  16 -11.672  -3.780   8.502
  112   1HD   LYS  16          2HD       LYS  16  -9.661  -5.216   8.225
  113   2HD   LYS  16          1HD       LYS  16  -8.687  -3.754   8.058
  114   1HE   LYS  16          2HE       LYS  16  -8.678  -4.736  10.351
  115   2HE   LYS  16          1HE       LYS  16  -9.221  -3.060  10.281
  116   1HZ   LYS  16          1HZ       LYS  16 -11.444  -3.709  10.577
  117   2HZ   LYS  16          2HZ       LYS  16 -10.569  -4.613  11.708
  118   3HZ   LYS  16          3HZ       LYS  16 -11.108  -5.342  10.279
  119    H    MET  17           H        MET  17 -11.523  -0.033   4.901
  120    HA   MET  17           HA       MET  17  -8.813   0.718   4.874
  121   1HB   MET  17          2HB       MET  17 -11.395   2.056   4.586
  122   2HB   MET  17          1HB       MET  17 -10.098   3.096   5.153
  123   1HG   MET  17          2HG       MET  17  -9.587   3.378   3.010
  124   2HG   MET  17          1HG       MET  17  -8.917   1.749   3.082
  125   1HE   MET  17          1HE       MET  17 -13.233   2.637   1.816
  126   2HE   MET  17          2HE       MET  17 -12.034   3.902   1.548
  127   3HE   MET  17          3HE       MET  17 -12.359   3.326   3.183
  128    H    LEU  18           H        LEU  18  -8.775  -0.370   7.175
  129    HA   LEU  18           HA       LEU  18  -7.806   1.576   8.948
  130   1HB   LEU  18          2HB       LEU  18  -9.359   1.445  10.750
  131   2HB   LEU  18          1HB       LEU  18 -10.264   1.854   9.306
  132    HG   LEU  18           HG       LEU  18 -10.332  -0.959   9.499
  133   1HD1  LEU  18          1HD1      LEU  18 -10.304   0.359  12.122
  134   2HD1  LEU  18          2HD1      LEU  18 -10.005  -1.325  11.690
  135   3HD1  LEU  18          3HD1      LEU  18 -11.659  -0.736  11.849
  136   1HD2  LEU  18          1HD2      LEU  18 -12.564   0.835  10.372
  137   2HD2  LEU  18          2HD2      LEU  18 -12.634  -0.666   9.447
  138   3HD2  LEU  18          3HD2      LEU  18 -12.032   0.809   8.691
  139    H    GLY  19           H        GLY  19  -6.389  -0.344   8.032
  140   1HA   GLY  19          2HA       GLY  19  -6.320  -2.387  10.167
  141   2HA   GLY  19          1HA       GLY  19  -6.025  -2.794   8.486
  142    H    ASP  20           H        ASP  20  -3.980  -3.204   8.135
  143    HA   ASP  20           HA       ASP  20  -1.859  -2.748   9.794
  144   1HB   ASP  20          2HB       ASP  20  -1.638  -2.837   6.788
  145   2HB   ASP  20          1HB       ASP  20  -0.433  -3.329   7.968
  146    H    LEU  21           H        LEU  21   0.192  -1.593   8.834
  147    HA   LEU  21           HA       LEU  21  -0.457   1.231   8.258
  148   1HB   LEU  21          2HB       LEU  21   0.177   0.535  10.717
  149   2HB   LEU  21          1HB       LEU  21   1.804   0.462  10.071
  150    HG   LEU  21           HG       LEU  21   0.043   2.894   9.980
  151   1HD1  LEU  21          1HD1      LEU  21   2.268   2.147  11.851
  152   2HD1  LEU  21          2HD1      LEU  21   0.579   2.439  12.262
  153   3HD1  LEU  21          3HD1      LEU  21   1.594   3.770  11.707
  154   1HD2  LEU  21          1HD2      LEU  21   2.620   3.722   9.697
  155   2HD2  LEU  21          2HD2      LEU  21   1.480   3.483   8.373
  156   3HD2  LEU  21          3HD2      LEU  21   2.618   2.205   8.798
  157    H    ILE  22           H        ILE  22   0.273   1.323   6.189
  158    HA   ILE  22           HA       ILE  22   2.927   0.229   5.624
  159    HB   ILE  22           HB       ILE  22   1.350  -0.601   4.090
  160   1HG1  ILE  22          2HG1      ILE  22   3.524   0.787   3.275
  161   2HG1  ILE  22          1HG1      ILE  22   2.521  -0.196   2.213
  162   1HG2  ILE  22          1HG2      ILE  22   0.357   2.208   3.956
  163   2HG2  ILE  22          2HG2      ILE  22  -0.534   0.727   4.311
  164   3HG2  ILE  22          3HG2      ILE  22   0.012   1.056   2.666
  165   1HD1  ILE  22          1HD1      ILE  22   1.863   2.681   2.650
  166   2HD1  ILE  22          2HD1      ILE  22   1.499   1.644   1.272
  167   3HD1  ILE  22          3HD1      ILE  22   3.142   2.219   1.535
  168    H    CYS  23           H        CYS  23   4.598   1.461   5.008
  169    HA   CYS  23           HA       CYS  23   4.177   4.372   4.951
  170   1HB   CYS  23          2HB       CYS  23   6.809   2.907   5.231
  171   2HB   CYS  23          1HB       CYS  23   6.521   4.624   5.482
  172    H    ALA  24           H        ALA  24   3.422   4.406   2.805
  173    HA   ALA  24           HA       ALA  24   4.992   3.215   0.731
  174   1HB   ALA  24          1HB       ALA  24   3.169   3.493  -0.523
  175   2HB   ALA  24          2HB       ALA  24   3.103   5.223  -0.189
  176   3HB   ALA  24          3HB       ALA  24   2.377   4.079   0.939
  177    H    VAL  25           H        VAL  25   6.280   4.141  -0.742
  178    HA   VAL  25           HA       VAL  25   6.900   7.005  -0.524
  179    HB   VAL  25           HB       VAL  25   9.042   4.880  -0.662
  180   1HG1  VAL  25          1HG1      VAL  25   9.179   7.852  -0.167
  181   2HG1  VAL  25          2HG1      VAL  25   9.635   7.027  -1.657
  182   3HG1  VAL  25          3HG1      VAL  25  10.549   6.742  -0.176
  183   1HG2  VAL  25          1HG2      VAL  25   8.134   4.629   1.499
  184   2HG2  VAL  25          2HG2      VAL  25   7.929   6.369   1.701
  185   3HG2  VAL  25          3HG2      VAL  25   9.546   5.666   1.703
  186    H    ILE  26           H        ILE  26   7.500   7.970  -2.326
  187    HA   ILE  26           HA       ILE  26   7.684   6.397  -4.804
  188    HB   ILE  26           HB       ILE  26   6.791   8.866  -5.640
  189   1HG1  ILE  26          2HG1      ILE  26   6.224   9.244  -3.164
  190   2HG1  ILE  26          1HG1      ILE  26   4.973   9.587  -4.350
  191   1HG2  ILE  26          1HG2      ILE  26   5.719   6.150  -5.446
  192   2HG2  ILE  26          2HG2      ILE  26   5.820   7.239  -6.828
  193   3HG2  ILE  26          3HG2      ILE  26   4.506   7.410  -5.662
  194   1HD1  ILE  26          1HD1      ILE  26   5.114   6.943  -2.950
  195   2HD1  ILE  26          2HD1      ILE  26   3.745   7.693  -3.770
  196   3HD1  ILE  26          3HD1      ILE  26   4.310   8.336  -2.229
  197    H    GLY  27           H        GLY  27   8.453   8.142  -6.551
  198   1HA   GLY  27          2HA       GLY  27  11.093   8.477  -6.463
  199   2HA   GLY  27          1HA       GLY  27  10.070   9.687  -7.222
  200    H    ASP  28           H        ASP  28   8.824  10.545  -4.744
  201    HA   ASP  28           HA       ASP  28  10.859  11.374  -2.934
  202   1HB   ASP  28          2HB       ASP  28  10.912  12.871  -5.158
  203   2HB   ASP  28          1HB       ASP  28   9.659  13.737  -4.274
  204    H    ALA  29           H        ALA  29   8.119  10.148  -2.936
  205    HA   ALA  29           HA       ALA  29   6.944  12.081  -1.043
  206   1HB   ALA  29          1HB       ALA  29   5.850  11.426  -3.539
  207   2HB   ALA  29          2HB       ALA  29   5.102  12.351  -2.238
  208   3HB   ALA  29          3HB       ALA  29   4.858  10.608  -2.332
  209    H    LYS  30           H        LYS  30   7.280  11.074   0.847
  210    HA   LYS  30           HA       LYS  30   6.603   8.222   1.052
  211   1HB   LYS  30          2HB       LYS  30   7.812   8.493   3.322
  212   2HB   LYS  30          1HB       LYS  30   8.777   8.459   1.852
  213   1HG   LYS  30          2HG       LYS  30   7.881  11.101   2.863
  214   2HG   LYS  30          1HG       LYS  30   9.163  10.263   3.740
  215   1HD   LYS  30          2HD       LYS  30   9.237  10.696   0.763
  216   2HD   LYS  30          1HD       LYS  30   9.904  11.857   1.912
  217   1HE   LYS  30          2HE       LYS  30  10.780   9.038   1.364
  218   2HE   LYS  30          1HE       LYS  30  11.727  10.524   1.271
  219   1HZ   LYS  30          1HZ       LYS  30  12.438   9.676   3.251
  220   2HZ   LYS  30          2HZ       LYS  30  10.952   8.959   3.627
  221   3HZ   LYS  30          3HZ       LYS  30  11.152  10.630   3.800
  222    H    GLU  31           H        GLU  31   4.497   8.051   1.524
  223    HA   GLU  31           HA       GLU  31   3.490   9.591   3.826
  224   1HB   GLU  31          2HB       GLU  31   1.768   8.619   1.551
  225   2HB   GLU  31          1HB       GLU  31   1.342   9.758   2.821
  226   1HG   GLU  31          2HG       GLU  31   1.790  11.337   1.326
  227   2HG   GLU  31          1HG       GLU  31   3.487  10.975   1.638
  228    H    GLU  32           H        GLU  32   1.438   8.476   4.734
  229    HA   GLU  32           HA       GLU  32   2.069   5.616   5.021
  230   1HB   GLU  32          2HB       GLU  32   0.803   7.577   6.927
  231   2HB   GLU  32          1HB       GLU  32   0.763   5.839   7.190
  232   1HG   GLU  32          2HG       GLU  32   3.162   7.637   7.104
  233   2HG   GLU  32          1HG       GLU  32   2.559   6.686   8.462
  234    H    HIS  33           H        HIS  33   0.268   4.167   5.451
  235    HA   HIS  33           HA       HIS  33  -2.392   5.027   4.742
  236   1HB   HIS  33          2HB       HIS  33  -1.210   2.932   2.940
  237   2HB   HIS  33          1HB       HIS  33  -2.703   3.834   2.740
  238    HD1  HIS  33           1HD      HIS  33   1.044   4.442   2.656
  239    HD2  HIS  33           2HD      HIS  33  -2.484   5.957   1.084
  240    HE1  HIS  33           1HE      HIS  33   1.743   6.143   0.949
  241    HE2  HIS  33           2HE      HIS  33  -0.404   6.974  -0.061
  242    H    ARG  34           H        ARG  34  -3.982   3.495   5.200
  243    HA   ARG  34           HA       ARG  34  -3.069   1.326   6.933
  244   1HB   ARG  34          2HB       ARG  34  -5.919   2.197   6.498
  245   2HB   ARG  34          1HB       ARG  34  -5.265   1.265   7.838
  246   1HG   ARG  34          2HG       ARG  34  -3.849   3.681   7.826
  247   2HG   ARG  34          1HG       ARG  34  -5.541   4.105   7.558
  248   1HD   ARG  34          2HD       ARG  34  -5.397   4.094   9.863
  249   2HD   ARG  34          1HD       ARG  34  -5.997   2.472   9.521
  250    HE   ARG  34           HE       ARG  34  -3.380   2.026   9.599
  251   1HH1  ARG  34          1HH1      ARG  34  -5.416   3.863  11.765
  252   2HH1  ARG  34          2HH1      ARG  34  -4.406   3.588  13.143
  253   1HH2  ARG  34          1HH2      ARG  34  -2.054   1.669  11.414
  254   2HH2  ARG  34          2HH2      ARG  34  -2.499   2.346  12.946
  255    H    ASN  35           H        ASN  35  -5.266   1.897   4.202
  256    HA   ASN  35           HA       ASN  35  -5.641  -0.926   3.755
  257   1HB   ASN  35          2HB       ASN  35  -6.960   1.454   2.951
  258   2HB   ASN  35          1HB       ASN  35  -6.442   0.633   1.486
  259   1HD2  ASN  35          1HD2      ASN  35  -7.356  -0.850   4.551
  260   2HD2  ASN  35          2HD2      ASN  35  -8.741  -1.681   3.937
  261    H    MET  36           H        MET  36  -3.179  -1.018   3.736
  262    HA   MET  36           HA       MET  36  -1.550  -0.145   1.727
  263   1HB   MET  36          2HB       MET  36  -0.120  -1.383   2.908
  264   2HB   MET  36          1HB       MET  36  -1.468  -2.102   3.772
  265   1HG   MET  36          2HG       MET  36  -1.626  -3.767   1.875
  266   2HG   MET  36          1HG       MET  36  -0.074  -3.137   1.322
  267   1HE   MET  36          1HE       MET  36  -0.587  -6.041   1.800
  268   2HE   MET  36          2HE       MET  36  -1.545  -6.055   3.281
  269   3HE   MET  36          3HE       MET  36   0.072  -6.758   3.270
  270    H    CYS  37           H        CYS  37  -4.122  -2.439   1.498
  271    HA   CYS  37           HA       CYS  37  -3.288  -3.789  -0.841
  272   1HB   CYS  37          2HB       CYS  37  -6.189  -3.308  -0.278
  273   2HB   CYS  37          1HB       CYS  37  -5.405  -4.751  -0.900
  274    H    ALA  38           H        ALA  38  -5.818  -1.329  -0.486
  275    HA   ALA  38           HA       ALA  38  -6.245  -0.746  -3.136
  276   1HB   ALA  38          1HB       ALA  38  -7.477   1.028  -2.422
  277   2HB   ALA  38          2HB       ALA  38  -6.260   1.546  -1.255
  278   3HB   ALA  38          3HB       ALA  38  -7.307   0.175  -0.887
  279    H    LEU  39           H        LEU  39  -3.519   0.128  -1.175
  280    HA   LEU  39           HA       LEU  39  -2.604   2.221  -2.908
  281   1HB   LEU  39          2HB       LEU  39  -1.897   1.169  -0.367
  282   2HB   LEU  39          1HB       LEU  39  -0.467   1.097  -1.372
  283    HG   LEU  39           HG       LEU  39  -1.874   3.435  -0.243
  284   1HD1  LEU  39          1HD1      LEU  39   0.141   3.141   0.768
  285   2HD1  LEU  39          2HD1      LEU  39   0.642   4.195  -0.554
  286   3HD1  LEU  39          3HD1      LEU  39   0.893   2.454  -0.670
  287   1HD2  LEU  39          1HD2      LEU  39  -0.917   3.330  -3.059
  288   2HD2  LEU  39          2HD2      LEU  39  -0.574   4.778  -2.113
  289   3HD2  LEU  39          3HD2      LEU  39  -2.241   4.253  -2.347
  290    H    CYS  40           H        CYS  40  -1.684  -1.140  -2.328
  291    HA   CYS  40           HA       CYS  40   0.378  -1.222  -4.251
  292   1HB   CYS  40          2HB       CYS  40   0.298  -2.904  -2.533
  293   2HB   CYS  40          1HB       CYS  40  -1.302  -3.430  -3.051
  294    H    CYS  41           H        CYS  41  -3.084  -1.546  -4.473
  295    HA   CYS  41           HA       CYS  41  -2.931  -2.546  -7.193
  296   1HB   CYS  41          2HB       CYS  41  -5.090  -3.164  -6.942
  297   2HB   CYS  41          1HB       CYS  41  -4.676  -3.058  -5.247
  298    H    GLU  42           H        GLU  42  -3.790   0.376  -5.457
  299    HA   GLU  42           HA       GLU  42  -4.229   1.741  -8.034
  300   1HB   GLU  42          2HB       GLU  42  -5.948   1.670  -6.015
  301   2HB   GLU  42          1HB       GLU  42  -4.988   3.037  -5.467
  302   1HG   GLU  42          2HG       GLU  42  -5.648   4.378  -7.197
  303   2HG   GLU  42          1HG       GLU  42  -5.965   3.019  -8.275
  304    H    HIS  43           H        HIS  43  -1.547   1.279  -6.875
  305    HA   HIS  43           HA       HIS  43  -0.685   3.856  -5.895
  306   1HB   HIS  43          2HB       HIS  43   1.642   2.816  -6.251
  307   2HB   HIS  43          1HB       HIS  43   0.606   2.098  -5.026
  308    HD1  HIS  43           1HD      HIS  43  -0.102   1.274  -8.575
  309    HD2  HIS  43           2HD      HIS  43   1.991  -0.346  -5.373
  310    HE1  HIS  43           1HE      HIS  43   0.448  -1.084  -9.257
  311    HE2  HIS  43           2HE      HIS  43   1.805  -2.009  -7.347
  312    HA   PRO  44           HA       PRO  44   0.413   6.049  -9.541
  313   1HB   PRO  44          2HB       PRO  44   3.263   6.055  -8.683
  314   2HB   PRO  44          1HB       PRO  44   2.209   7.411  -9.098
  315   1HG   PRO  44          2HG       PRO  44   2.822   6.914  -6.562
  316   2HG   PRO  44          1HG       PRO  44   1.184   7.421  -7.013
  317   1HD   PRO  44          2HD       PRO  44   2.199   4.696  -6.314
  318   2HD   PRO  44          1HD       PRO  44   0.655   5.465  -5.894
  319    H    GLY  45           H        GLY  45   2.621   3.419  -8.700
  320   1HA   GLY  45          2HA       GLY  45   2.407   2.050 -11.097
  321   2HA   GLY  45          1HA       GLY  45   3.759   3.155 -11.294
  322    H    GLY  46           H        GLY  46   2.558   1.022  -8.700
  323   1HA   GLY  46          2HA       GLY  46   3.648  -0.519  -7.392
  324   2HA   GLY  46          1HA       GLY  46   4.654  -0.823  -8.800
  325    H    PHE  47           H        PHE  47   4.287   2.043  -6.738
  326    HA   PHE  47           HA       PHE  47   7.028   2.645  -6.720
  327   1HB   PHE  47          2HB       PHE  47   6.405   4.118  -4.753
  328   2HB   PHE  47          1HB       PHE  47   5.494   4.392  -6.228
  329    HD1  PHE  47           1HD      PHE  47   4.473   1.393  -4.582
  330    HD2  PHE  47           2HD      PHE  47   4.003   5.625  -4.556
  331    HE1  PHE  47           1HE      PHE  47   2.379   1.149  -3.325
  332    HE2  PHE  47           2HE      PHE  47   1.904   5.383  -3.298
  333    HZ   PHE  47           HZ       PHE  47   1.090   3.143  -2.678
  334    H    GLU  48           H        GLU  48   6.261   2.712  -3.451
  335    HA   GLU  48           HA       GLU  48   6.960  -0.009  -2.794
  336   1HB   GLU  48          2HB       GLU  48   9.089   0.453  -1.763
  337   2HB   GLU  48          1HB       GLU  48   9.151   0.921  -3.456
  338   1HG   GLU  48          2HG       GLU  48   8.770   3.275  -2.756
  339   2HG   GLU  48          1HG       GLU  48   8.891   2.748  -1.078
  340    H    TYR  49           H        TYR  49   7.265  -0.234  -0.432
  341    HA   TYR  49           HA       TYR  49   6.204   1.843   1.289
  342   1HB   TYR  49          2HB       TYR  49   4.441   0.260   2.114
  343   2HB   TYR  49          1HB       TYR  49   4.120   1.091   0.601
  344    HD1  TYR  49           1HD      TYR  49   5.537  -2.066   1.920
  345    HD2  TYR  49           2HD      TYR  49   3.395  -0.144  -1.203
  346    HE1  TYR  49           1HE      TYR  49   5.152  -4.241   0.877
  347    HE2  TYR  49           2HE      TYR  49   2.998  -2.308  -2.261
  348    HH   TYR  49           HH       TYR  49   4.125  -4.567  -2.293
  349    H    SER  50           H        SER  50   6.194   1.211   3.482
  350    HA   SER  50           HA       SER  50   7.727  -1.202   4.106
  351   1HB   SER  50          2HB       SER  50   8.968   0.381   5.819
  352   2HB   SER  50          1HB       SER  50   9.549   0.182   4.168
  353    HG   SER  50           HG       SER  50   9.076   2.190   3.767
  354    H    ASN  51           H        ASN  51   6.033  -2.150   5.077
  355    HA   ASN  51           HA       ASN  51   4.040  -1.088   6.557
  356   1HB   ASN  51          2HB       ASN  51   5.370  -3.694   7.287
  357   2HB   ASN  51          1HB       ASN  51   3.698  -3.219   7.580
  358   1HD2  ASN  51          1HD2      ASN  51   2.212  -3.524   6.023
  359   2HD2  ASN  51          2HD2      ASN  51   2.546  -4.203   4.471
  360    H    GLY  52           H        GLY  52   3.730  -0.300   8.579
  361   1HA   GLY  52          2HA       GLY  52   4.497  -0.547  10.979
  362   2HA   GLY  52          1HA       GLY  52   6.099  -0.193  10.352
  363    HA   PRO  53           HA       PRO  53   3.541   3.732  11.417
  364   1HB   PRO  53          2HB       PRO  53   4.577   4.326  13.856
  365   2HB   PRO  53          1HB       PRO  53   3.119   3.350  13.638
  366   1HG   PRO  53          2HG       PRO  53   5.936   2.459  14.137
  367   2HG   PRO  53          1HG       PRO  53   4.431   1.872  14.869
  368   1HD   PRO  53          2HD       PRO  53   5.660   0.544  12.868
  369   2HD   PRO  53          1HD       PRO  53   3.892   0.575  13.033
  370    H    CYS  54           H        CYS  54   4.485   5.198  10.174
  371    HA   CYS  54           HA       CYS  54   7.269   5.974  10.764
  372   1HB   CYS  54          2HB       CYS  54   5.871   6.062   8.082
  373   2HB   CYS  54          1HB       CYS  54   7.509   6.611   8.396
  374    H    GLU  55           H        GLU  55   4.150   7.061   9.482
  375    HA   GLU  55           HA       GLU  55   4.758   9.843   9.682
  376   1HB   GLU  55          2HB       GLU  55   3.123   9.090   8.065
  377   2HB   GLU  55          1HB       GLU  55   2.137   8.373   9.329
  378   1HG   GLU  55          2HG       GLU  55   0.998  10.261   9.448
  379   2HG   GLU  55          1HG       GLU  55   2.452  11.071  10.026
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  12.897  -0.665  -4.468
    2   2H    ALA   1          2H        ALA   1  12.867   0.573  -5.656
    3   3H    ALA   1          3H        ALA   1  12.586  -1.060  -6.106
    4    HA   ALA   1           HA       ALA   1  10.865   0.826  -4.704
    5   1HB   ALA   1          1HB       ALA   1  10.335  -1.217  -6.858
    6   2HB   ALA   1          2HB       ALA   1  10.690   0.487  -7.144
    7   3HB   ALA   1          3HB       ALA   1   9.223   0.025  -6.281
    8    H    HIS   2           H        HIS   2   9.395   0.192  -3.219
    9    HA   HIS   2           HA       HIS   2   9.571  -2.590  -2.294
   10   1HB   HIS   2          2HB       HIS   2   8.511  -0.214  -0.761
   11   2HB   HIS   2          1HB       HIS   2   8.896  -1.808  -0.121
   12    HD1  HIS   2           1HD      HIS   2  10.146   1.088   0.671
   13    HD2  HIS   2           2HD      HIS   2  11.945  -1.955  -1.514
   14    HE1  HIS   2           1HE      HIS   2  12.621   1.460   0.913
   15    HE2  HIS   2           2HE      HIS   2  13.688  -0.455  -0.329
   16    H    MET   3           H        MET   3   8.093  -2.605  -4.364
   17    HA   MET   3           HA       MET   3   5.327  -1.963  -3.869
   18   1HB   MET   3          2HB       MET   3   4.989  -3.113  -6.095
   19   2HB   MET   3          1HB       MET   3   6.039  -1.703  -6.111
   20   1HG   MET   3          2HG       MET   3   7.983  -3.036  -6.284
   21   2HG   MET   3          1HG       MET   3   7.088  -4.510  -5.920
   22   1HE   MET   3          1HE       MET   3   9.107  -4.269  -8.085
   23   2HE   MET   3          2HE       MET   3   8.768  -2.740  -8.896
   24   3HE   MET   3          3HE       MET   3   8.507  -4.265  -9.743
   25    H    ASP   4           H        ASP   4   3.601  -3.512  -4.032
   26    HA   ASP   4           HA       ASP   4   3.841  -6.286  -3.899
   27   1HB   ASP   4          2HB       ASP   4   4.238  -4.875  -1.329
   28   2HB   ASP   4          1HB       ASP   4   3.061  -6.184  -1.282
   29    H    CYS   5           H        CYS   5   2.151  -5.087  -5.348
   30    HA   CYS   5           HA       CYS   5  -0.268  -4.258  -4.062
   31   1HB   CYS   5          2HB       CYS   5  -0.032  -4.953  -6.977
   32   2HB   CYS   5          1HB       CYS   5  -1.071  -3.756  -6.212
   33    H    THR   6           H        THR   6  -2.398  -5.127  -4.823
   34    HA   THR   6           HA       THR   6  -2.731  -7.779  -3.913
   35    HB   THR   6           HB       THR   6  -4.802  -6.663  -5.717
   36    HG1  THR   6           1HG      THR   6  -3.845  -5.280  -3.449
   37   1HG2  THR   6          1HG2      THR   6  -4.911  -7.487  -2.828
   38   2HG2  THR   6          2HG2      THR   6  -5.223  -8.555  -4.197
   39   3HG2  THR   6          3HG2      THR   6  -6.278  -7.174  -3.897
   40    H    GLU   7           H        GLU   7  -1.543  -6.667  -6.991
   41    HA   GLU   7           HA       GLU   7  -2.407  -7.845  -9.083
   42   1HB   GLU   7          2HB       GLU   7  -0.180  -8.665  -9.722
   43   2HB   GLU   7          1HB       GLU   7  -0.107  -7.084  -8.957
   44   1HG   GLU   7          2HG       GLU   7   0.184  -8.911  -6.874
   45   2HG   GLU   7          1HG       GLU   7   1.155  -9.555  -8.197
   46    H    PHE   8           H        PHE   8  -4.029  -9.312  -8.444
   47    HA   PHE   8           HA       PHE   8  -3.280 -12.058  -8.776
   48   1HB   PHE   8          2HB       PHE   8  -4.492 -11.124  -6.161
   49   2HB   PHE   8          1HB       PHE   8  -4.472 -12.805  -6.682
   50    HD1  PHE   8           1HD      PHE   8  -2.923 -10.611  -4.579
   51    HD2  PHE   8           2HD      PHE   8  -1.967 -13.498  -7.556
   52    HE1  PHE   8           1HE      PHE   8  -0.694 -10.897  -3.579
   53    HE2  PHE   8           2HE      PHE   8   0.263 -13.791  -6.560
   54    HZ   PHE   8           HZ       PHE   8   0.902 -12.490  -4.569
   55    H    ASN   9           H        ASN   9  -5.980 -12.770  -7.510
   56    HA   ASN   9           HA       ASN   9  -7.507 -12.421  -9.879
   57   1HB   ASN   9          2HB       ASN   9  -7.769 -13.872  -7.375
   58   2HB   ASN   9          1HB       ASN   9  -9.299 -13.150  -7.864
   59   1HD2  ASN   9          1HD2      ASN   9  -7.327 -15.786  -8.171
   60   2HD2  ASN   9          2HD2      ASN   9  -8.003 -16.474  -9.605
   61    HA   PRO  10           HA       PRO  10  -9.851  -9.067  -7.534
   62   1HB   PRO  10          2HB       PRO  10  -9.949  -9.002  -4.891
   63   2HB   PRO  10          1HB       PRO  10 -10.690 -10.345  -5.770
   64   1HG   PRO  10          2HG       PRO  10  -8.181 -10.283  -4.188
   65   2HG   PRO  10          1HG       PRO  10  -9.287 -11.634  -4.491
   66   1HD   PRO  10          2HD       PRO  10  -6.844 -10.990  -5.876
   67   2HD   PRO  10          1HD       PRO  10  -7.947 -12.347  -6.172
   68    H    LEU  11           H        LEU  11  -8.589  -7.322  -8.269
   69    HA   LEU  11           HA       LEU  11  -6.232  -6.398  -6.958
   70   1HB   LEU  11          2HB       LEU  11  -8.046  -5.365  -9.076
   71   2HB   LEU  11          1HB       LEU  11  -7.022  -4.203  -8.254
   72    HG   LEU  11           HG       LEU  11  -5.914  -4.897 -10.260
   73   1HD1  LEU  11          1HD1      LEU  11  -4.703  -4.805  -7.921
   74   2HD1  LEU  11          2HD1      LEU  11  -3.847  -5.302  -9.380
   75   3HD1  LEU  11          3HD1      LEU  11  -4.441  -6.518  -8.250
   76   1HD2  LEU  11          1HD2      LEU  11  -6.657  -6.895 -11.013
   77   2HD2  LEU  11          2HD2      LEU  11  -6.806  -7.575  -9.393
   78   3HD2  LEU  11          3HD2      LEU  11  -5.224  -7.486 -10.169
   79    H    CYS  12           H        CYS  12  -6.322  -3.871  -6.342
   80    HA   CYS  12           HA       CYS  12  -6.893  -3.352  -3.907
   81   1HB   CYS  12          2HB       CYS  12  -7.913  -1.098  -4.515
   82   2HB   CYS  12          1HB       CYS  12  -6.346  -1.481  -5.208
   83    H    ARG  13           H        ARG  13  -8.531  -5.272  -3.794
   84    HA   ARG  13           HA       ARG  13 -11.255  -4.150  -3.568
   85   1HB   ARG  13          2HB       ARG  13 -10.257  -6.739  -4.495
   86   2HB   ARG  13          1HB       ARG  13 -11.513  -6.897  -3.279
   87   1HG   ARG  13          2HG       ARG  13 -12.465  -6.926  -5.502
   88   2HG   ARG  13          1HG       ARG  13 -12.996  -5.494  -4.619
   89   1HD   ARG  13          2HD       ARG  13 -11.453  -4.107  -5.811
   90   2HD   ARG  13          1HD       ARG  13 -10.692  -5.510  -6.559
   91    HE   ARG  13           HE       ARG  13 -13.129  -4.216  -7.375
   92   1HH1  ARG  13          1HH1      ARG  13 -11.275  -7.171  -7.476
   93   2HH1  ARG  13          2HH1      ARG  13 -12.025  -7.739  -8.929
   94   1HH2  ARG  13          1HH2      ARG  13 -14.117  -4.963  -9.287
   95   2HH2  ARG  13          2HH2      ARG  13 -13.638  -6.486  -9.958
   96    H    CYS  14           H        CYS  14  -9.533  -3.448  -1.626
   97    HA   CYS  14           HA       CYS  14 -10.512  -4.979   0.677
   98   1HB   CYS  14          2HB       CYS  14  -8.089  -4.260   1.610
   99   2HB   CYS  14          1HB       CYS  14  -8.400  -5.807   0.830
  100    H    ASN  15           H        ASN  15 -11.926  -3.486   1.443
  101    HA   ASN  15           HA       ASN  15 -11.153  -0.689   1.652
  102   1HB   ASN  15          2HB       ASN  15 -13.618  -2.105   1.503
  103   2HB   ASN  15          1HB       ASN  15 -13.603  -1.216   3.015
  104   1HD2  ASN  15          1HD2      ASN  15 -12.265   1.033   2.427
  105   2HD2  ASN  15          2HD2      ASN  15 -13.102   1.945   1.223
  106    H    LYS  16           H        LYS  16 -12.054  -3.350   3.759
  107    HA   LYS  16           HA       LYS  16 -12.210  -2.694   6.228
  108   1HB   LYS  16          2HB       LYS  16 -11.594  -4.978   5.331
  109   2HB   LYS  16          1HB       LYS  16  -9.911  -4.498   5.495
  110   1HG   LYS  16          2HG       LYS  16 -10.310  -5.669   7.445
  111   2HG   LYS  16          1HG       LYS  16 -10.524  -3.991   7.944
  112   1HD   LYS  16          2HD       LYS  16 -12.295  -5.425   8.840
  113   2HD   LYS  16          1HD       LYS  16 -12.943  -4.221   7.725
  114   1HE   LYS  16          2HE       LYS  16 -13.824  -6.601   7.508
  115   2HE   LYS  16          1HE       LYS  16 -13.279  -5.806   6.032
  116   1HZ   LYS  16          1HZ       LYS  16 -12.535  -8.215   6.538
  117   2HZ   LYS  16          2HZ       LYS  16 -11.406  -7.482   7.562
  118   3HZ   LYS  16          3HZ       LYS  16 -11.410  -7.117   5.911
  119    H    MET  17           H        MET  17 -11.289  -0.386   5.689
  120    HA   MET  17           HA       MET  17  -8.550   0.132   6.037
  121   1HB   MET  17          2HB       MET  17  -9.400   2.417   6.848
  122   2HB   MET  17          1HB       MET  17  -9.701   1.923   5.188
  123   1HG   MET  17          2HG       MET  17 -11.897   2.083   5.457
  124   2HG   MET  17          1HG       MET  17 -11.849   1.081   6.907
  125   1HE   MET  17          1HE       MET  17 -11.368   5.523   6.438
  126   2HE   MET  17          2HE       MET  17 -10.414   4.247   5.683
  127   3HE   MET  17          3HE       MET  17  -9.938   4.891   7.255
  128    H    LEU  18           H        LEU  18  -8.150  -1.404   7.715
  129    HA   LEU  18           HA       LEU  18  -7.661  -0.159  10.189
  130   1HB   LEU  18          2HB       LEU  18  -9.018  -1.621  11.624
  131   2HB   LEU  18          1HB       LEU  18  -9.997  -0.574  10.615
  132    HG   LEU  18           HG       LEU  18  -9.511  -3.170   9.383
  133   1HD1  LEU  18          1HD1      LEU  18  -9.551  -3.718  11.861
  134   2HD1  LEU  18          2HD1      LEU  18 -10.727  -4.550  10.845
  135   3HD1  LEU  18          3HD1      LEU  18 -11.232  -3.187  11.843
  136   1HD2  LEU  18          1HD2      LEU  18 -11.943  -1.527  10.059
  137   2HD2  LEU  18          2HD2      LEU  18 -12.004  -3.060   9.190
  138   3HD2  LEU  18          3HD2      LEU  18 -11.151  -1.684   8.492
  139    H    GLY  19           H        GLY  19  -5.801  -1.117   8.740
  140   1HA   GLY  19          2HA       GLY  19  -5.187  -3.793   9.837
  141   2HA   GLY  19          1HA       GLY  19  -4.759  -3.330   8.199
  142    H    ASP  20           H        ASP  20  -2.590  -3.639   8.416
  143    HA   ASP  20           HA       ASP  20  -1.002  -2.758  10.554
  144   1HB   ASP  20          2HB       ASP  20  -0.120  -3.188   7.702
  145   2HB   ASP  20          1HB       ASP  20   0.871  -3.282   9.149
  146    H    LEU  21           H        LEU  21   1.036  -1.387   9.827
  147    HA   LEU  21           HA       LEU  21   0.040   1.206   8.838
  148   1HB   LEU  21          2HB       LEU  21   0.394   1.459  11.172
  149   2HB   LEU  21          1HB       LEU  21   1.902   0.568  11.117
  150    HG   LEU  21           HG       LEU  21   3.030   2.386  10.038
  151   1HD1  LEU  21          1HD1      LEU  21   0.282   3.295   9.500
  152   2HD1  LEU  21          2HD1      LEU  21   1.749   3.467   8.536
  153   3HD1  LEU  21          3HD1      LEU  21   1.451   4.558   9.889
  154   1HD2  LEU  21          1HD2      LEU  21   1.308   3.558  12.213
  155   2HD2  LEU  21          2HD2      LEU  21   2.933   4.058  11.743
  156   3HD2  LEU  21          3HD2      LEU  21   2.678   2.487  12.503
  157    H    ILE  22           H        ILE  22   0.762   1.024   6.781
  158    HA   ILE  22           HA       ILE  22   3.492   0.222   6.220
  159    HB   ILE  22           HB       ILE  22   2.040  -0.620   4.604
  160   1HG1  ILE  22          2HG1      ILE  22   3.972   0.946   3.727
  161   2HG1  ILE  22          1HG1      ILE  22   2.840   0.158   2.635
  162   1HG2  ILE  22          1HG2      ILE  22   0.024   0.485   5.096
  163   2HG2  ILE  22          2HG2      ILE  22   0.384   0.847   3.409
  164   3HG2  ILE  22          3HG2      ILE  22   0.702   2.051   4.652
  165   1HD1  ILE  22          1HD1      ILE  22   3.357   2.657   2.312
  166   2HD1  ILE  22          2HD1      ILE  22   2.266   2.903   3.667
  167   3HD1  ILE  22          3HD1      ILE  22   1.691   2.114   2.200
  168    H    CYS  23           H        CYS  23   4.994   1.508   5.086
  169    HA   CYS  23           HA       CYS  23   4.531   4.414   5.355
  170   1HB   CYS  23          2HB       CYS  23   7.250   4.236   5.258
  171   2HB   CYS  23          1HB       CYS  23   6.315   4.348   6.741
  172    H    ALA  24           H        ALA  24   3.706   4.619   3.302
  173    HA   ALA  24           HA       ALA  24   5.065   3.553   1.024
  174   1HB   ALA  24          1HB       ALA  24   3.306   5.231  -0.083
  175   2HB   ALA  24          2HB       ALA  24   2.580   5.064   1.517
  176   3HB   ALA  24          3HB       ALA  24   2.865   3.635   0.525
  177    H    VAL  25           H        VAL  25   5.888   4.728  -0.715
  178    HA   VAL  25           HA       VAL  25   6.641   7.510  -0.289
  179    HB   VAL  25           HB       VAL  25   8.740   5.452  -0.971
  180   1HG1  VAL  25          1HG1      VAL  25  10.121   7.556  -0.130
  181   2HG1  VAL  25          2HG1      VAL  25   8.678   8.404  -0.686
  182   3HG1  VAL  25          3HG1      VAL  25   9.591   7.391  -1.805
  183   1HG2  VAL  25          1HG2      VAL  25   7.906   6.591   1.664
  184   2HG2  VAL  25          2HG2      VAL  25   9.594   6.166   1.381
  185   3HG2  VAL  25          3HG2      VAL  25   8.340   4.933   1.246
  186    H    ILE  26           H        ILE  26   7.136   8.620  -2.167
  187    HA   ILE  26           HA       ILE  26   6.993   7.169  -4.704
  188    HB   ILE  26           HB       ILE  26   5.514   9.466  -5.217
  189   1HG1  ILE  26          2HG1      ILE  26   5.181   9.550  -2.691
  190   2HG1  ILE  26          1HG1      ILE  26   3.719   9.565  -3.671
  191   1HG2  ILE  26          1HG2      ILE  26   4.805   6.565  -4.967
  192   2HG2  ILE  26          2HG2      ILE  26   5.092   7.517  -6.424
  193   3HG2  ILE  26          3HG2      ILE  26   3.625   7.771  -5.481
  194   1HD1  ILE  26          1HD1      ILE  26   4.536   7.720  -1.630
  195   2HD1  ILE  26          2HD1      ILE  26   4.222   6.872  -3.143
  196   3HD1  ILE  26          3HD1      ILE  26   2.975   7.894  -2.430
  197    H    GLY  27           H        GLY  27   9.176   7.706  -4.902
  198   1HA   GLY  27          2HA       GLY  27  10.884   8.919  -5.850
  199   2HA   GLY  27          1HA       GLY  27   9.697  10.150  -6.258
  200    H    ASP  28           H        ASP  28   8.800  11.163  -4.078
  201    HA   ASP  28           HA       ASP  28  10.842  11.613  -2.094
  202   1HB   ASP  28          2HB       ASP  28  10.939  14.047  -2.435
  203   2HB   ASP  28          1HB       ASP  28  11.533  13.181  -3.848
  204    H    ALA  29           H        ALA  29   8.002  10.674  -2.395
  205    HA   ALA  29           HA       ALA  29   6.823  12.518  -0.415
  206   1HB   ALA  29          1HB       ALA  29   5.336  12.962  -2.054
  207   2HB   ALA  29          2HB       ALA  29   4.615  11.443  -1.521
  208   3HB   ALA  29          3HB       ALA  29   5.684  11.468  -2.923
  209    H    LYS  30           H        LYS  30   7.740  11.124   1.198
  210    HA   LYS  30           HA       LYS  30   6.604   8.440   1.338
  211   1HB   LYS  30          2HB       LYS  30   8.185   8.208   3.310
  212   2HB   LYS  30          1HB       LYS  30   8.932   8.412   1.732
  213   1HG   LYS  30          2HG       LYS  30   9.577  10.608   2.188
  214   2HG   LYS  30          1HG       LYS  30   8.456  10.750   3.543
  215   1HD   LYS  30          2HD       LYS  30  10.763  10.520   4.319
  216   2HD   LYS  30          1HD       LYS  30   9.780   9.142   4.817
  217   1HE   LYS  30          2HE       LYS  30  11.195   8.889   2.235
  218   2HE   LYS  30          1HE       LYS  30  12.201   8.899   3.684
  219   1HZ   LYS  30          1HZ       LYS  30  11.071   6.708   2.697
  220   2HZ   LYS  30          2HZ       LYS  30   9.859   7.183   3.777
  221   3HZ   LYS  30          3HZ       LYS  30  11.429   6.905   4.339
  222    H    GLU  31           H        GLU  31   4.923   7.982   2.588
  223    HA   GLU  31           HA       GLU  31   4.454   9.388   5.072
  224   1HB   GLU  31          2HB       GLU  31   1.993   9.754   4.299
  225   2HB   GLU  31          1HB       GLU  31   3.226  10.920   3.841
  226   1HG   GLU  31          2HG       GLU  31   1.925  10.547   1.920
  227   2HG   GLU  31          1HG       GLU  31   3.435   9.672   1.665
  228    H    GLU  32           H        GLU  32   2.706   8.391   6.340
  229    HA   GLU  32           HA       GLU  32   2.827   5.553   6.191
  230   1HB   GLU  32          2HB       GLU  32   0.916   7.209   7.834
  231   2HB   GLU  32          1HB       GLU  32   1.391   5.543   8.122
  232   1HG   GLU  32          2HG       GLU  32   3.215   6.148   9.243
  233   2HG   GLU  32          1HG       GLU  32   3.674   7.332   8.018
  234    H    HIS  33           H        HIS  33   0.930   4.142   6.209
  235    HA   HIS  33           HA       HIS  33  -1.501   5.079   5.017
  236   1HB   HIS  33          2HB       HIS  33   0.605   3.933   3.335
  237   2HB   HIS  33          1HB       HIS  33  -0.946   3.114   3.168
  238    HD1  HIS  33           1HD      HIS  33  -2.998   5.150   3.027
  239    HD2  HIS  33           2HD      HIS  33   0.787   5.871   1.475
  240    HE1  HIS  33           1HE      HIS  33  -3.293   7.028   1.382
  241    HE2  HIS  33           2HE      HIS  33  -0.972   7.515   0.532
  242    H    ARG  34           H        ARG  34  -3.079   3.370   4.760
  243    HA   ARG  34           HA       ARG  34  -2.578   1.148   6.626
  244   1HB   ARG  34          2HB       ARG  34  -4.371   2.974   7.085
  245   2HB   ARG  34          1HB       ARG  34  -5.318   2.107   5.887
  246   1HG   ARG  34          2HG       ARG  34  -5.855   0.503   7.328
  247   2HG   ARG  34          1HG       ARG  34  -4.187   0.327   7.872
  248   1HD   ARG  34          2HD       ARG  34  -5.927   2.607   8.763
  249   2HD   ARG  34          1HD       ARG  34  -5.915   1.058   9.600
  250    HE   ARG  34           HE       ARG  34  -3.686   1.454  10.259
  251   1HH1  ARG  34          1HH1      ARG  34  -5.052   4.150   8.495
  252   2HH1  ARG  34          2HH1      ARG  34  -3.854   5.270   9.047
  253   1HH2  ARG  34          1HH2      ARG  34  -2.121   2.933  10.980
  254   2HH2  ARG  34          2HH2      ARG  34  -2.193   4.583  10.454
  255    H    ASN  35           H        ASN  35  -4.985   1.757   4.056
  256    HA   ASN  35           HA       ASN  35  -4.875  -1.011   3.258
  257   1HB   ASN  35          2HB       ASN  35  -6.607   1.292   2.730
  258   2HB   ASN  35          1HB       ASN  35  -6.353   0.273   1.318
  259   1HD2  ASN  35          1HD2      ASN  35  -8.176   0.730   4.042
  260   2HD2  ASN  35          2HD2      ASN  35  -8.892  -0.838   4.160
  261    H    MET  36           H        MET  36  -2.491  -0.674   2.856
  262    HA   MET  36           HA       MET  36  -1.606   0.757   0.594
  263   1HB   MET  36          2HB       MET  36   0.342   0.259   1.542
  264   2HB   MET  36          1HB       MET  36  -0.480  -0.809   2.666
  265   1HG   MET  36          2HG       MET  36   0.442  -1.686  -0.060
  266   2HG   MET  36          1HG       MET  36   1.436  -1.809   1.387
  267   1HE   MET  36          1HE       MET  36   0.358  -4.902  -0.253
  268   2HE   MET  36          2HE       MET  36  -0.250  -3.405  -0.958
  269   3HE   MET  36          3HE       MET  36  -1.379  -4.610  -0.339
  270    H    CYS  37           H        CYS  37  -3.410  -2.101   0.826
  271    HA   CYS  37           HA       CYS  37  -2.387  -3.380  -1.523
  272   1HB   CYS  37          2HB       CYS  37  -4.446  -4.812  -1.314
  273   2HB   CYS  37          1HB       CYS  37  -3.409  -4.796   0.107
  274    H    ALA  38           H        ALA  38  -5.306  -1.497  -0.809
  275    HA   ALA  38           HA       ALA  38  -6.223  -1.552  -3.502
  276   1HB   ALA  38          1HB       ALA  38  -7.667  -1.198  -1.463
  277   2HB   ALA  38          2HB       ALA  38  -7.962  -0.098  -2.808
  278   3HB   ALA  38          3HB       ALA  38  -7.034   0.446  -1.412
  279    H    LEU  39           H        LEU  39  -4.030   0.362  -1.740
  280    HA   LEU  39           HA       LEU  39  -4.034   2.635  -3.482
  281   1HB   LEU  39          2HB       LEU  39  -2.879   1.823  -1.026
  282   2HB   LEU  39          1HB       LEU  39  -1.580   2.328  -2.081
  283    HG   LEU  39           HG       LEU  39  -2.792   4.492  -2.440
  284   1HD1  LEU  39          1HD1      LEU  39  -4.511   3.475  -0.182
  285   2HD1  LEU  39          2HD1      LEU  39  -5.033   3.745  -1.844
  286   3HD1  LEU  39          3HD1      LEU  39  -4.535   5.109  -0.844
  287   1HD2  LEU  39          1HD2      LEU  39  -1.713   5.439  -0.691
  288   2HD2  LEU  39          2HD2      LEU  39  -1.035   3.818  -0.542
  289   3HD2  LEU  39          3HD2      LEU  39  -2.385   4.306   0.482
  290    H    CYS  40           H        CYS  40  -2.286  -0.376  -3.174
  291    HA   CYS  40           HA       CYS  40  -0.220   0.290  -5.001
  292   1HB   CYS  40          2HB       CYS  40  -0.416  -1.637  -3.178
  293   2HB   CYS  40          1HB       CYS  40  -0.977  -2.554  -4.573
  294    H    CYS  41           H        CYS  41  -3.441  -1.077  -5.306
  295    HA   CYS  41           HA       CYS  41  -3.058  -2.022  -7.989
  296   1HB   CYS  41          2HB       CYS  41  -5.096  -2.868  -7.640
  297   2HB   CYS  41          1HB       CYS  41  -5.214  -1.974  -6.137
  298    H    GLU  42           H        GLU  42  -4.286   0.909  -6.502
  299    HA   GLU  42           HA       GLU  42  -4.724   2.233  -9.039
  300   1HB   GLU  42          2HB       GLU  42  -5.090   2.943  -6.170
  301   2HB   GLU  42          1HB       GLU  42  -5.006   4.247  -7.346
  302   1HG   GLU  42          2HG       GLU  42  -6.963   3.628  -8.378
  303   2HG   GLU  42          1HG       GLU  42  -6.849   1.956  -7.829
  304    H    HIS  43           H        HIS  43  -1.995   1.804  -7.066
  305    HA   HIS  43           HA       HIS  43  -0.751   4.324  -7.817
  306   1HB   HIS  43          2HB       HIS  43  -0.018   2.062  -6.002
  307   2HB   HIS  43          1HB       HIS  43   1.234   3.166  -6.551
  308    HD1  HIS  43           1HD      HIS  43  -0.613   5.746  -6.473
  309    HD2  HIS  43           2HD      HIS  43  -0.116   2.996  -3.399
  310    HE1  HIS  43           1HE      HIS  43  -1.243   6.969  -4.370
  311    HE2  HIS  43           2HE      HIS  43  -0.826   5.319  -2.513
  312    HA   PRO  44           HA       PRO  44   1.725   3.222 -11.247
  313   1HB   PRO  44          2HB       PRO  44   4.230   3.432  -9.657
  314   2HB   PRO  44          1HB       PRO  44   3.765   4.263 -11.146
  315   1HG   PRO  44          2HG       PRO  44   3.744   5.562  -8.833
  316   2HG   PRO  44          1HG       PRO  44   2.449   5.819 -10.021
  317   1HD   PRO  44          2HD       PRO  44   2.427   4.181  -7.515
  318   2HD   PRO  44          1HD       PRO  44   1.164   5.240  -8.170
  319    H    GLY  45           H        GLY  45   0.814   0.961 -10.738
  320   1HA   GLY  45          2HA       GLY  45   1.098  -1.318 -10.457
  321   2HA   GLY  45          1HA       GLY  45   2.419  -1.015 -11.571
  322    H    GLY  46           H        GLY  46   2.365   0.184  -8.267
  323   1HA   GLY  46          2HA       GLY  46   3.388  -1.546  -6.617
  324   2HA   GLY  46          1HA       GLY  46   4.732  -1.477  -7.743
  325    H    PHE  47           H        PHE  47   3.021   0.146  -5.209
  326    HA   PHE  47           HA       PHE  47   4.482   2.600  -5.349
  327   1HB   PHE  47          2HB       PHE  47   2.266   1.611  -3.896
  328   2HB   PHE  47          1HB       PHE  47   3.478   2.056  -2.703
  329    HD1  PHE  47           1HD      PHE  47   2.279   3.884  -1.775
  330    HD2  PHE  47           2HD      PHE  47   3.109   3.748  -5.942
  331    HE1  PHE  47           1HE      PHE  47   1.605   6.241  -1.984
  332    HE2  PHE  47           2HE      PHE  47   2.439   6.103  -6.162
  333    HZ   PHE  47           HZ       PHE  47   1.685   7.352  -4.182
  334    H    GLU  48           H        GLU  48   5.896   3.350  -3.536
  335    HA   GLU  48           HA       GLU  48   7.746   1.162  -2.865
  336   1HB   GLU  48          2HB       GLU  48   8.712   3.804  -2.127
  337   2HB   GLU  48          1HB       GLU  48   9.448   2.589  -3.156
  338   1HG   GLU  48          2HG       GLU  48   7.306   3.786  -4.582
  339   2HG   GLU  48          1HG       GLU  48   8.292   5.059  -3.873
  340    H    TYR  49           H        TYR  49   5.904   0.650  -1.291
  341    HA   TYR  49           HA       TYR  49   6.209   2.164   1.217
  342   1HB   TYR  49          2HB       TYR  49   4.258   0.920   1.966
  343   2HB   TYR  49          1HB       TYR  49   3.920   1.962   0.614
  344    HD1  TYR  49           1HD      TYR  49   2.756   1.099  -1.189
  345    HD2  TYR  49           2HD      TYR  49   4.787  -1.549   1.439
  346    HE1  TYR  49           1HE      TYR  49   1.759  -0.813  -2.355
  347    HE2  TYR  49           2HE      TYR  49   3.803  -3.472   0.284
  348    HH   TYR  49           HH       TYR  49   1.912  -3.996  -1.116
  349    H    SER  50           H        SER  50   6.204   0.972   3.164
  350    HA   SER  50           HA       SER  50   7.347  -1.721   2.976
  351   1HB   SER  50          2HB       SER  50   8.425   0.339   4.889
  352   2HB   SER  50          1HB       SER  50   9.105  -1.235   4.484
  353    HG   SER  50           HG       SER  50   8.850   0.929   2.667
  354    H    ASN  51           H        ASN  51   5.486  -2.639   3.703
  355    HA   ASN  51           HA       ASN  51   3.740  -1.721   5.587
  356   1HB   ASN  51          2HB       ASN  51   4.509  -4.620   5.306
  357   2HB   ASN  51          1HB       ASN  51   2.999  -3.969   5.940
  358   1HD2  ASN  51          1HD2      ASN  51   1.650  -4.884   4.468
  359   2HD2  ASN  51          2HD2      ASN  51   1.648  -4.485   2.788
  360    H    GLY  52           H        GLY  52   3.687  -1.433   7.646
  361   1HA   GLY  52          2HA       GLY  52   4.201  -2.244   9.906
  362   2HA   GLY  52          1HA       GLY  52   5.816  -2.617   9.323
  363    HA   PRO  53           HA       PRO  53   5.453   1.739  11.275
  364   1HB   PRO  53          2HB       PRO  53   6.951   1.228  13.505
  365   2HB   PRO  53          1HB       PRO  53   5.188   1.117  13.463
  366   1HG   PRO  53          2HG       PRO  53   7.231  -1.060  13.243
  367   2HG   PRO  53          1HG       PRO  53   5.710  -1.038  14.156
  368   1HD   PRO  53          2HD       PRO  53   5.928  -2.295  11.785
  369   2HD   PRO  53          1HD       PRO  53   4.431  -1.480  12.281
  370    H    CYS  54           H        CYS  54   6.823   2.832  10.007
  371    HA   CYS  54           HA       CYS  54   9.643   2.705  10.551
  372   1HB   CYS  54          2HB       CYS  54  10.422   1.703   8.681
  373   2HB   CYS  54          1HB       CYS  54   8.818   0.991   8.607
  374    H    GLU  55           H        GLU  55   7.111   3.950   8.430
  375    HA   GLU  55           HA       GLU  55   7.313   5.952   7.115
  376   1HB   GLU  55          2HB       GLU  55   6.103   7.569   8.455
  377   2HB   GLU  55          1HB       GLU  55   5.482   5.952   8.752
  378   1HG   GLU  55          2HG       GLU  55   5.920   6.096  10.917
  379   2HG   GLU  55          1HG       GLU  55   7.581   6.602  10.615
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   8.615  -1.889  -9.765
    2   2H    ALA   1          2H        ALA   1   7.921  -0.466  -9.102
    3   3H    ALA   1          3H        ALA   1   7.160  -1.264 -10.419
    4    HA   ALA   1           HA       ALA   1   5.983  -1.744  -8.464
    5   1HB   ALA   1          1HB       ALA   1   5.787  -3.622  -9.715
    6   2HB   ALA   1          2HB       ALA   1   6.688  -4.320  -8.368
    7   3HB   ALA   1          3HB       ALA   1   7.531  -3.851  -9.845
    8    H    HIS   2           H        HIS   2   5.964  -2.937  -6.387
    9    HA   HIS   2           HA       HIS   2   8.508  -2.771  -4.944
   10   1HB   HIS   2          2HB       HIS   2   6.643  -0.895  -4.599
   11   2HB   HIS   2          1HB       HIS   2   6.104  -2.086  -3.413
   12    HD1  HIS   2           1HD      HIS   2   9.365  -0.370  -4.377
   13    HD2  HIS   2           2HD      HIS   2   7.394  -1.857  -1.038
   14    HE1  HIS   2           1HE      HIS   2  10.851   0.174  -2.423
   15    HE2  HIS   2           2HE      HIS   2   9.598  -0.661  -0.404
   16    H    MET   3           H        MET   3   7.199  -3.403  -2.529
   17    HA   MET   3           HA       MET   3   7.521  -6.218  -2.607
   18   1HB   MET   3          2HB       MET   3   7.455  -4.256  -0.636
   19   2HB   MET   3          1HB       MET   3   6.097  -5.303  -0.249
   20   1HG   MET   3          2HG       MET   3   8.121  -5.990   0.909
   21   2HG   MET   3          1HG       MET   3   7.564  -7.232  -0.210
   22   1HE   MET   3          1HE       MET   3   9.897  -4.379   0.511
   23   2HE   MET   3          2HE       MET   3  11.385  -4.773  -0.350
   24   3HE   MET   3          3HE       MET   3  10.879  -5.748   1.030
   25    H    ASP   4           H        ASP   4   5.557  -7.166  -0.830
   26    HA   ASP   4           HA       ASP   4   3.738  -8.459  -2.266
   27   1HB   ASP   4          2HB       ASP   4   4.106  -8.170   0.375
   28   2HB   ASP   4          1HB       ASP   4   2.596  -7.278   0.211
   29    H    CYS   5           H        CYS   5   2.872  -7.423  -4.054
   30    HA   CYS   5           HA       CYS   5   1.070  -5.159  -3.536
   31   1HB   CYS   5          2HB       CYS   5   3.016  -5.068  -5.244
   32   2HB   CYS   5          1HB       CYS   5   1.965  -6.044  -6.263
   33    H    THR   6           H        THR   6  -1.057  -5.111  -4.350
   34    HA   THR   6           HA       THR   6  -2.522  -7.490  -4.257
   35    HB   THR   6           HB       THR   6  -3.558  -5.319  -3.950
   36    HG1  THR   6           1HG      THR   6  -5.007  -6.803  -4.666
   37   1HG2  THR   6          1HG2      THR   6  -3.259  -3.574  -5.266
   38   2HG2  THR   6          2HG2      THR   6  -3.905  -4.459  -6.647
   39   3HG2  THR   6          3HG2      THR   6  -2.184  -4.546  -6.271
   40    H    GLU   7           H        GLU   7  -0.673  -6.070  -6.923
   41    HA   GLU   7           HA       GLU   7  -1.635  -6.673  -9.256
   42   1HB   GLU   7          2HB       GLU   7   0.558  -7.621  -9.968
   43   2HB   GLU   7          1HB       GLU   7   0.681  -6.132  -9.040
   44   1HG   GLU   7          2HG       GLU   7   1.044  -7.645  -7.011
   45   2HG   GLU   7          1HG       GLU   7   1.325  -8.930  -8.186
   46    H    PHE   8           H        PHE   8  -3.371  -8.123  -9.147
   47    HA   PHE   8           HA       PHE   8  -2.697 -10.804  -9.897
   48   1HB   PHE   8          2HB       PHE   8  -3.283 -10.297  -7.153
   49   2HB   PHE   8          1HB       PHE   8  -4.645 -11.172  -7.832
   50    HD1  PHE   8           1HD      PHE   8  -1.241 -11.361  -6.698
   51    HD2  PHE   8           2HD      PHE   8  -4.246 -13.387  -8.931
   52    HE1  PHE   8           1HE      PHE   8   0.026 -13.461  -6.492
   53    HE2  PHE   8           2HE      PHE   8  -2.984 -15.489  -8.728
   54    HZ   PHE   8           HZ       PHE   8  -0.845 -15.528  -7.508
   55    H    ASN   9           H        ASN   9  -5.375 -11.853  -9.393
   56    HA   ASN   9           HA       ASN   9  -6.687 -10.732 -11.655
   57   1HB   ASN   9          2HB       ASN   9  -7.106 -12.983  -9.837
   58   2HB   ASN   9          1HB       ASN   9  -8.615 -12.217 -10.323
   59   1HD2  ASN   9          1HD2      ASN   9  -5.539 -13.254 -11.761
   60   2HD2  ASN   9          2HD2      ASN   9  -6.239 -13.934 -13.186
   61    HA   PRO  10           HA       PRO  10  -9.653  -8.702  -8.550
   62   1HB   PRO  10          2HB       PRO  10  -9.676  -9.350  -5.979
   63   2HB   PRO  10          1HB       PRO  10 -10.328 -10.467  -7.182
   64   1HG   PRO  10          2HG       PRO  10  -7.695 -10.527  -5.768
   65   2HG   PRO  10          1HG       PRO  10  -8.785 -11.868  -6.164
   66   1HD   PRO  10          2HD       PRO  10  -6.537 -11.125  -7.630
   67   2HD   PRO  10          1HD       PRO  10  -7.869 -12.130  -8.226
   68    H    LEU  11           H        LEU  11  -8.406  -6.805  -8.936
   69    HA   LEU  11           HA       LEU  11  -6.158  -6.038  -7.439
   70   1HB   LEU  11          2HB       LEU  11  -8.159  -4.459  -9.032
   71   2HB   LEU  11          1HB       LEU  11  -6.812  -3.688  -8.216
   72    HG   LEU  11           HG       LEU  11  -6.272  -4.029 -10.547
   73   1HD1  LEU  11          1HD1      LEU  11  -4.654  -4.625  -8.490
   74   2HD1  LEU  11          2HD1      LEU  11  -4.144  -4.676 -10.178
   75   3HD1  LEU  11          3HD1      LEU  11  -4.621  -6.161  -9.356
   76   1HD2  LEU  11          1HD2      LEU  11  -7.843  -6.059 -10.702
   77   2HD2  LEU  11          2HD2      LEU  11  -6.448  -6.996 -10.165
   78   3HD2  LEU  11          3HD2      LEU  11  -6.365  -6.070 -11.664
   79    H    CYS  12           H        CYS  12  -6.082  -4.006  -6.095
   80    HA   CYS  12           HA       CYS  12  -6.731  -4.172  -3.633
   81   1HB   CYS  12          2HB       CYS  12  -6.861  -1.822  -3.371
   82   2HB   CYS  12          1HB       CYS  12  -5.798  -2.149  -4.729
   83    H    ARG  13           H        ARG  13  -8.646  -5.701  -4.145
   84    HA   ARG  13           HA       ARG  13 -11.240  -4.413  -4.113
   85   1HB   ARG  13          2HB       ARG  13 -12.079  -6.779  -3.734
   86   2HB   ARG  13          1HB       ARG  13 -11.226  -6.488  -5.242
   87   1HG   ARG  13          2HG       ARG  13 -10.335  -8.487  -4.574
   88   2HG   ARG  13          1HG       ARG  13  -9.155  -7.353  -3.925
   89   1HD   ARG  13          2HD       ARG  13  -9.650  -9.009  -2.259
   90   2HD   ARG  13          1HD       ARG  13 -10.322  -7.467  -1.742
   91    HE   ARG  13           HE       ARG  13 -12.358  -8.755  -3.069
   92   1HH1  ARG  13          1HH1      ARG  13 -10.350  -9.409  -0.290
   93   2HH1  ARG  13          2HH1      ARG  13 -11.553 -10.363   0.511
   94   1HH2  ARG  13          1HH2      ARG  13 -13.940 -10.016  -2.019
   95   2HH2  ARG  13          2HH2      ARG  13 -13.590 -10.708  -0.469
   96    H    CYS  14           H        CYS  14  -9.445  -3.725  -1.954
   97    HA   CYS  14           HA       CYS  14 -11.070  -4.646   0.296
   98   1HB   CYS  14          2HB       CYS  14  -9.266  -5.113   1.604
   99   2HB   CYS  14          1HB       CYS  14  -8.534  -5.431   0.041
  100    H    ASN  15           H        ASN  15 -12.256  -3.055   0.962
  101    HA   ASN  15           HA       ASN  15 -11.446  -0.285   0.609
  102   1HB   ASN  15          2HB       ASN  15 -13.934  -1.659   0.789
  103   2HB   ASN  15          1HB       ASN  15 -13.872  -0.489   2.094
  104   1HD2  ASN  15          1HD2      ASN  15 -12.734   1.653   1.208
  105   2HD2  ASN  15          2HD2      ASN  15 -13.504   2.292  -0.202
  106    H    LYS  16           H        LYS  16 -12.416  -2.422   3.232
  107    HA   LYS  16           HA       LYS  16 -12.476  -1.251   5.506
  108   1HB   LYS  16          2HB       LYS  16 -11.894  -3.727   5.000
  109   2HB   LYS  16          1HB       LYS  16 -10.232  -3.230   5.287
  110   1HG   LYS  16          2HG       LYS  16 -10.607  -3.664   7.430
  111   2HG   LYS  16          1HG       LYS  16 -11.587  -2.197   7.453
  112   1HD   LYS  16          2HD       LYS  16 -13.499  -3.347   7.649
  113   2HD   LYS  16          1HD       LYS  16 -13.021  -4.519   6.420
  114   1HE   LYS  16          2HE       LYS  16 -13.207  -5.788   8.370
  115   2HE   LYS  16          1HE       LYS  16 -11.476  -5.488   8.218
  116   1HZ   LYS  16          1HZ       LYS  16 -13.393  -4.375  10.143
  117   2HZ   LYS  16          2HZ       LYS  16 -12.043  -3.450   9.714
  118   3HZ   LYS  16          3HZ       LYS  16 -11.834  -4.980  10.405
  119    H    MET  17           H        MET  17 -11.502   0.831   4.519
  120    HA   MET  17           HA       MET  17  -8.836   1.469   4.456
  121   1HB   MET  17          2HB       MET  17 -11.075   3.159   5.522
  122   2HB   MET  17          1HB       MET  17  -9.484   3.758   5.079
  123   1HG   MET  17          2HG       MET  17 -10.252   2.423   2.821
  124   2HG   MET  17          1HG       MET  17 -11.776   3.093   3.400
  125   1HE   MET  17          1HE       MET  17  -7.930   4.479   3.169
  126   2HE   MET  17          2HE       MET  17  -8.209   5.301   1.634
  127   3HE   MET  17          3HE       MET  17  -8.475   3.563   1.765
  128    H    LEU  18           H        LEU  18  -8.236  -0.096   6.202
  129    HA   LEU  18           HA       LEU  18  -7.114   1.296   8.357
  130   1HB   LEU  18          2HB       LEU  18  -8.243   0.255  10.222
  131   2HB   LEU  18          1HB       LEU  18  -9.398   1.135   9.243
  132    HG   LEU  18           HG       LEU  18  -9.476  -1.452   8.217
  133   1HD1  LEU  18          1HD1      LEU  18  -8.641  -2.763   9.830
  134   2HD1  LEU  18          2HD1      LEU  18 -10.158  -2.429  10.665
  135   3HD1  LEU  18          3HD1      LEU  18  -8.716  -1.487  11.044
  136   1HD2  LEU  18          1HD2      LEU  18 -11.408  -0.083   8.391
  137   2HD2  LEU  18          2HD2      LEU  18 -11.255   0.025  10.144
  138   3HD2  LEU  18          3HD2      LEU  18 -11.697  -1.507   9.390
  139    H    GLY  19           H        GLY  19  -5.903  -0.057   6.510
  140   1HA   GLY  19          2HA       GLY  19  -5.493  -2.827   7.201
  141   2HA   GLY  19          1HA       GLY  19  -4.639  -1.925   5.961
  142    H    ASP  20           H        ASP  20  -2.737  -3.017   6.703
  143    HA   ASP  20           HA       ASP  20  -1.736  -2.715   9.328
  144   1HB   ASP  20          2HB       ASP  20  -0.015  -3.182   6.906
  145   2HB   ASP  20          1HB       ASP  20   0.211  -3.771   8.546
  146    H    LEU  21           H        LEU  21   0.605  -1.798   9.508
  147    HA   LEU  21           HA       LEU  21   0.414   1.047   8.882
  148   1HB   LEU  21          2HB       LEU  21   2.281   1.243  10.499
  149   2HB   LEU  21          1HB       LEU  21   0.853   0.481  11.178
  150    HG   LEU  21           HG       LEU  21   2.887  -1.349  10.056
  151   1HD1  LEU  21          1HD1      LEU  21   4.049   0.577  11.358
  152   2HD1  LEU  21          2HD1      LEU  21   4.491  -1.101  11.676
  153   3HD1  LEU  21          3HD1      LEU  21   3.406  -0.250  12.775
  154   1HD2  LEU  21          1HD2      LEU  21   0.731  -1.351  12.002
  155   2HD2  LEU  21          2HD2      LEU  21   2.194  -2.130  12.601
  156   3HD2  LEU  21          3HD2      LEU  21   1.451  -2.685  11.102
  157    H    ILE  22           H        ILE  22   0.920   0.755   6.622
  158    HA   ILE  22           HA       ILE  22   3.610  -0.145   5.984
  159    HB   ILE  22           HB       ILE  22   2.070  -0.943   4.438
  160   1HG1  ILE  22          2HG1      ILE  22   4.113   0.444   3.528
  161   2HG1  ILE  22          1HG1      ILE  22   2.930  -0.266   2.440
  162   1HG2  ILE  22          1HG2      ILE  22   0.887   1.810   4.452
  163   2HG2  ILE  22          2HG2      ILE  22   0.117   0.279   4.872
  164   3HG2  ILE  22          3HG2      ILE  22   0.513   0.636   3.191
  165   1HD1  ILE  22          1HD1      ILE  22   2.484   2.511   3.398
  166   2HD1  ILE  22          2HD1      ILE  22   2.029   1.751   1.874
  167   3HD1  ILE  22          3HD1      ILE  22   3.703   2.217   2.159
  168    H    CYS  23           H        CYS  23   5.129   1.130   4.844
  169    HA   CYS  23           HA       CYS  23   4.779   4.032   5.272
  170   1HB   CYS  23          2HB       CYS  23   6.642   2.594   6.511
  171   2HB   CYS  23          1HB       CYS  23   7.495   2.818   4.988
  172    H    ALA  24           H        ALA  24   3.881   4.419   3.239
  173    HA   ALA  24           HA       ALA  24   5.168   3.464   0.868
  174   1HB   ALA  24          1HB       ALA  24   2.895   3.647   0.562
  175   2HB   ALA  24          2HB       ALA  24   3.483   5.123  -0.207
  176   3HB   ALA  24          3HB       ALA  24   2.796   5.187   1.416
  177    H    VAL  25           H        VAL  25   6.122   4.676  -0.734
  178    HA   VAL  25           HA       VAL  25   6.882   7.435  -0.244
  179    HB   VAL  25           HB       VAL  25   9.045   5.384  -0.694
  180   1HG1  VAL  25          1HG1      VAL  25  10.048   7.297  -1.343
  181   2HG1  VAL  25          2HG1      VAL  25  10.249   7.531   0.393
  182   3HG1  VAL  25          3HG1      VAL  25   8.919   8.320  -0.456
  183   1HG2  VAL  25          1HG2      VAL  25   9.658   5.932   1.723
  184   2HG2  VAL  25          2HG2      VAL  25   8.290   4.850   1.463
  185   3HG2  VAL  25          3HG2      VAL  25   8.010   6.540   1.877
  186    H    ILE  26           H        ILE  26   7.414   8.537  -2.077
  187    HA   ILE  26           HA       ILE  26   7.973   7.165  -4.542
  188    HB   ILE  26           HB       ILE  26   5.957   8.474  -5.641
  189   1HG1  ILE  26          2HG1      ILE  26   5.258   9.229  -3.280
  190   2HG1  ILE  26          1HG1      ILE  26   4.007   8.633  -4.358
  191   1HG2  ILE  26          1HG2      ILE  26   5.235   5.870  -4.408
  192   2HG2  ILE  26          2HG2      ILE  26   6.631   5.953  -5.477
  193   3HG2  ILE  26          3HG2      ILE  26   5.044   6.436  -6.064
  194   1HD1  ILE  26          1HD1      ILE  26   4.971   7.568  -1.809
  195   2HD1  ILE  26          2HD1      ILE  26   4.700   6.357  -3.057
  196   3HD1  ILE  26          3HD1      ILE  26   3.392   7.434  -2.575
  197    H    GLY  27           H        GLY  27   9.786   8.455  -4.560
  198   1HA   GLY  27          2HA       GLY  27  11.053  10.190  -5.335
  199   2HA   GLY  27          1HA       GLY  27   9.579  10.862  -6.009
  200    H    ASP  28           H        ASP  28   8.068  11.612  -4.079
  201    HA   ASP  28           HA       ASP  28   9.602  12.994  -2.033
  202   1HB   ASP  28          2HB       ASP  28   8.530  15.179  -2.606
  203   2HB   ASP  28          1HB       ASP  28   9.664  14.606  -3.826
  204    H    ALA  29           H        ALA  29   7.419  10.903  -2.328
  205    HA   ALA  29           HA       ALA  29   5.569  12.182  -0.421
  206   1HB   ALA  29          1HB       ALA  29   4.228  10.062  -1.781
  207   2HB   ALA  29          2HB       ALA  29   4.901  11.172  -2.974
  208   3HB   ALA  29          3HB       ALA  29   3.817  11.776  -1.721
  209    H    LYS  30           H        LYS  30   7.061  11.300   1.135
  210    HA   LYS  30           HA       LYS  30   6.895   8.387   1.450
  211   1HB   LYS  30          2HB       LYS  30   9.160   9.081   1.425
  212   2HB   LYS  30          1HB       LYS  30   8.835  10.454   2.472
  213   1HG   LYS  30          2HG       LYS  30   8.601   9.066   4.375
  214   2HG   LYS  30          1HG       LYS  30   8.563   7.603   3.388
  215   1HD   LYS  30          2HD       LYS  30  10.933   8.591   2.619
  216   2HD   LYS  30          1HD       LYS  30  10.858   9.261   4.250
  217   1HE   LYS  30          2HE       LYS  30  10.760   6.372   3.417
  218   2HE   LYS  30          1HE       LYS  30  11.959   7.173   4.432
  219   1HZ   LYS  30          1HZ       LYS  30  10.665   6.118   5.981
  220   2HZ   LYS  30          2HZ       LYS  30   9.232   6.318   5.106
  221   3HZ   LYS  30          3HZ       LYS  30   9.907   7.630   5.933
  222    H    GLU  31           H        GLU  31   5.027   8.007   2.558
  223    HA   GLU  31           HA       GLU  31   4.907   8.925   5.307
  224   1HB   GLU  31          2HB       GLU  31   3.611  10.525   3.651
  225   2HB   GLU  31          1HB       GLU  31   2.387   9.266   3.737
  226   1HG   GLU  31          2HG       GLU  31   1.653  10.093   5.647
  227   2HG   GLU  31          1HG       GLU  31   3.235   9.840   6.381
  228    H    GLU  32           H        GLU  32   3.035   7.847   6.477
  229    HA   GLU  32           HA       GLU  32   3.084   5.055   5.839
  230   1HB   GLU  32          2HB       GLU  32   1.903   6.695   8.043
  231   2HB   GLU  32          1HB       GLU  32   1.360   5.038   7.819
  232   1HG   GLU  32          2HG       GLU  32   3.746   4.319   7.966
  233   2HG   GLU  32          1HG       GLU  32   4.155   5.977   8.400
  234    H    HIS  33           H        HIS  33   0.986   3.787   5.982
  235    HA   HIS  33           HA       HIS  33  -1.384   5.084   5.020
  236   1HB   HIS  33          2HB       HIS  33  -0.021   4.896   2.940
  237   2HB   HIS  33          1HB       HIS  33  -0.008   3.147   3.150
  238    HD1  HIS  33           1HD      HIS  33  -2.692   5.853   3.002
  239    HD2  HIS  33           2HD      HIS  33  -1.951   1.984   1.684
  240    HE1  HIS  33           1HE      HIS  33  -4.716   5.203   1.659
  241    HE2  HIS  33           2HE      HIS  33  -4.268   2.838   0.913
  242    H    ARG  34           H        ARG  34  -3.200   3.709   4.958
  243    HA   ARG  34           HA       ARG  34  -2.846   1.281   6.565
  244   1HB   ARG  34          2HB       ARG  34  -5.473   2.618   5.983
  245   2HB   ARG  34          1HB       ARG  34  -5.067   1.531   7.304
  246   1HG   ARG  34          2HG       ARG  34  -3.895   4.284   6.993
  247   2HG   ARG  34          1HG       ARG  34  -5.335   3.927   7.949
  248   1HD   ARG  34          2HD       ARG  34  -2.618   2.687   8.375
  249   2HD   ARG  34          1HD       ARG  34  -3.274   4.032   9.308
  250    HE   ARG  34           HE       ARG  34  -3.863   1.271   9.650
  251   1HH1  ARG  34          1HH1      ARG  34  -5.267   4.459   9.872
  252   2HH1  ARG  34          2HH1      ARG  34  -6.443   3.996  11.055
  253   1HH2  ARG  34          1HH2      ARG  34  -5.413   0.659  11.203
  254   2HH2  ARG  34          2HH2      ARG  34  -6.526   1.838  11.810
  255    H    ASN  35           H        ASN  35  -4.863   2.426   3.838
  256    HA   ASN  35           HA       ASN  35  -5.481  -0.277   3.062
  257   1HB   ASN  35          2HB       ASN  35  -6.571   2.290   2.545
  258   2HB   ASN  35          1HB       ASN  35  -6.130   1.596   0.990
  259   1HD2  ASN  35          1HD2      ASN  35  -7.221  -0.049   3.917
  260   2HD2  ASN  35          2HD2      ASN  35  -8.656  -0.714   3.221
  261    H    MET  36           H        MET  36  -3.097  -0.720   2.947
  262    HA   MET  36           HA       MET  36  -1.482   0.272   0.897
  263   1HB   MET  36          2HB       MET  36  -0.047  -0.924   2.117
  264   2HB   MET  36          1HB       MET  36  -1.363  -1.775   2.906
  265   1HG   MET  36          2HG       MET  36  -1.406  -3.343   0.957
  266   2HG   MET  36          1HG       MET  36   0.053  -2.549   0.366
  267   1HE   MET  36          1HE       MET  36   1.734  -3.951   0.274
  268   2HE   MET  36          2HE       MET  36   2.476  -4.931   1.540
  269   3HE   MET  36          3HE       MET  36   2.642  -3.176   1.570
  270    H    CYS  37           H        CYS  37  -4.226  -1.749   0.687
  271    HA   CYS  37           HA       CYS  37  -3.368  -3.092  -1.710
  272   1HB   CYS  37          2HB       CYS  37  -5.345  -4.303  -1.636
  273   2HB   CYS  37          1HB       CYS  37  -5.049  -3.969   0.062
  274    H    ALA  38           H        ALA  38  -5.696  -0.527  -0.940
  275    HA   ALA  38           HA       ALA  38  -6.455  -0.008  -3.610
  276   1HB   ALA  38          1HB       ALA  38  -7.808   0.733  -1.730
  277   2HB   ALA  38          2HB       ALA  38  -7.356   2.101  -2.747
  278   3HB   ALA  38          3HB       ALA  38  -6.519   1.824  -1.220
  279    H    LEU  39           H        LEU  39  -3.657   0.764  -1.829
  280    HA   LEU  39           HA       LEU  39  -2.864   3.040  -3.392
  281   1HB   LEU  39          2HB       LEU  39  -2.051   1.679  -1.036
  282   2HB   LEU  39          1HB       LEU  39  -0.668   1.765  -2.101
  283    HG   LEU  39           HG       LEU  39  -0.873   4.196  -2.217
  284   1HD1  LEU  39          1HD1      LEU  39  -2.940   4.996  -1.908
  285   2HD1  LEU  39          2HD1      LEU  39  -2.510   4.985  -0.198
  286   3HD1  LEU  39          3HD1      LEU  39  -3.419   3.640  -0.888
  287   1HD2  LEU  39          1HD2      LEU  39   0.611   3.842  -0.562
  288   2HD2  LEU  39          2HD2      LEU  39  -0.455   2.733   0.301
  289   3HD2  LEU  39          3HD2      LEU  39  -0.683   4.475   0.455
  290    H    CYS  40           H        CYS  40  -2.009  -0.360  -3.173
  291    HA   CYS  40           HA       CYS  40   0.002  -0.331  -5.128
  292   1HB   CYS  40          2HB       CYS  40  -1.152  -2.215  -3.388
  293   2HB   CYS  40          1HB       CYS  40  -1.316  -2.882  -5.009
  294    H    CYS  41           H        CYS  41  -3.473  -0.895  -5.289
  295    HA   CYS  41           HA       CYS  41  -3.427  -1.662  -8.046
  296   1HB   CYS  41          2HB       CYS  41  -5.703  -1.905  -7.851
  297   2HB   CYS  41          1HB       CYS  41  -5.192  -2.070  -6.185
  298    H    GLU  42           H        GLU  42  -3.926   1.322  -6.291
  299    HA   GLU  42           HA       GLU  42  -4.569   2.828  -8.677
  300   1HB   GLU  42          2HB       GLU  42  -4.115   3.621  -5.806
  301   2HB   GLU  42          1HB       GLU  42  -4.414   4.800  -7.077
  302   1HG   GLU  42          2HG       GLU  42  -6.261   2.601  -6.179
  303   2HG   GLU  42          1HG       GLU  42  -6.462   4.333  -5.919
  304    H    HIS  43           H        HIS  43  -1.699   1.785  -7.240
  305    HA   HIS  43           HA       HIS  43  -0.148   4.004  -8.388
  306   1HB   HIS  43          2HB       HIS  43   0.514   1.937  -6.295
  307   2HB   HIS  43          1HB       HIS  43   1.733   2.979  -7.021
  308    HD1  HIS  43           1HD      HIS  43  -0.228   5.516  -7.098
  309    HD2  HIS  43           2HD      HIS  43   0.681   3.168  -3.794
  310    HE1  HIS  43           1HE      HIS  43  -0.673   6.971  -5.100
  311    HE2  HIS  43           2HE      HIS  43   0.066   5.592  -3.129
  312    HA   PRO  44           HA       PRO  44   1.640   1.529 -11.548
  313   1HB   PRO  44          2HB       PRO  44   4.371   2.361 -10.988
  314   2HB   PRO  44          1HB       PRO  44   3.300   2.885 -12.289
  315   1HG   PRO  44          2HG       PRO  44   4.063   4.517 -10.253
  316   2HG   PRO  44          1HG       PRO  44   2.507   4.678 -11.092
  317   1HD   PRO  44          2HD       PRO  44   3.114   3.370  -8.460
  318   2HD   PRO  44          1HD       PRO  44   1.764   4.444  -8.890
  319    H    GLY  45           H        GLY  45   1.401  -0.601 -10.874
  320   1HA   GLY  45          2HA       GLY  45   2.075  -2.688 -10.187
  321   2HA   GLY  45          1HA       GLY  45   3.714  -2.124 -10.484
  322    H    GLY  46           H        GLY  46   1.830  -0.334  -8.232
  323   1HA   GLY  46          2HA       GLY  46   1.680  -0.538  -5.892
  324   2HA   GLY  46          1HA       GLY  46   2.876  -1.819  -5.949
  325    H    PHE  47           H        PHE  47   2.333   1.432  -5.243
  326    HA   PHE  47           HA       PHE  47   4.721   2.699  -5.851
  327   1HB   PHE  47          2HB       PHE  47   2.622   3.046  -3.797
  328   2HB   PHE  47          1HB       PHE  47   4.180   3.746  -3.391
  329    HD1  PHE  47           1HD      PHE  47   2.598   5.808  -3.362
  330    HD2  PHE  47           2HD      PHE  47   3.750   3.753  -6.901
  331    HE1  PHE  47           1HE      PHE  47   2.051   7.801  -4.695
  332    HE2  PHE  47           2HE      PHE  47   3.204   5.741  -8.241
  333    HZ   PHE  47           HZ       PHE  47   2.356   7.770  -7.137
  334    H    GLU  48           H        GLU  48   6.356   3.373  -3.982
  335    HA   GLU  48           HA       GLU  48   7.421   0.793  -3.073
  336   1HB   GLU  48          2HB       GLU  48   9.264   2.712  -2.262
  337   2HB   GLU  48          1HB       GLU  48   9.365   1.704  -3.692
  338   1HG   GLU  48          2HG       GLU  48   7.845   3.746  -4.618
  339   2HG   GLU  48          1HG       GLU  48   8.849   4.574  -3.430
  340    H    TYR  49           H        TYR  49   6.356   0.182  -1.352
  341    HA   TYR  49           HA       TYR  49   6.238   1.983   0.998
  342   1HB   TYR  49          2HB       TYR  49   4.567   0.325   1.808
  343   2HB   TYR  49          1HB       TYR  49   4.061   1.317   0.452
  344    HD1  TYR  49           1HD      TYR  49   5.194  -2.013   1.486
  345    HD2  TYR  49           2HD      TYR  49   3.536   0.334  -1.642
  346    HE1  TYR  49           1HE      TYR  49   4.665  -4.057   0.251
  347    HE2  TYR  49           2HE      TYR  49   2.999  -1.703  -2.893
  348    HH   TYR  49           HH       TYR  49   3.499  -4.884  -1.490
  349    H    SER  50           H        SER  50   6.430   0.956   3.059
  350    HA   SER  50           HA       SER  50   8.066  -1.462   3.087
  351   1HB   SER  50          2HB       SER  50   9.404  -0.091   4.953
  352   2HB   SER  50          1HB       SER  50   9.885  -0.102   3.257
  353    HG   SER  50           HG       SER  50   9.353   1.992   4.668
  354    H    ASN  51           H        ASN  51   6.430  -2.578   4.026
  355    HA   ASN  51           HA       ASN  51   4.684  -1.777   5.966
  356   1HB   ASN  51          2HB       ASN  51   5.911  -4.530   5.856
  357   2HB   ASN  51          1HB       ASN  51   4.356  -4.079   6.551
  358   1HD2  ASN  51          1HD2      ASN  51   2.733  -4.687   5.333
  359   2HD2  ASN  51          2HD2      ASN  51   2.696  -4.698   3.606
  360    H    GLY  52           H        GLY  52   4.716  -1.368   8.037
  361   1HA   GLY  52          2HA       GLY  52   5.762  -2.126  10.234
  362   2HA   GLY  52          1HA       GLY  52   7.282  -1.693   9.465
  363    HA   PRO  53           HA       PRO  53   5.344   1.998  11.732
  364   1HB   PRO  53          2HB       PRO  53   7.128   2.214  13.754
  365   2HB   PRO  53          1HB       PRO  53   5.686   1.197  13.863
  366   1HG   PRO  53          2HG       PRO  53   8.510   0.418  13.238
  367   2HG   PRO  53          1HG       PRO  53   7.342  -0.379  14.308
  368   1HD   PRO  53          2HD       PRO  53   7.851  -1.248  11.792
  369   2HD   PRO  53          1HD       PRO  53   6.259  -1.417  12.560
  370    H    CYS  54           H        CYS  54   6.044   4.075  11.437
  371    HA   CYS  54           HA       CYS  54   8.774   4.795  11.126
  372   1HB   CYS  54          2HB       CYS  54   8.841   5.294   8.785
  373   2HB   CYS  54          1HB       CYS  54   8.330   3.620   8.959
  374    H    GLU  55           H        GLU  55   5.410   5.622  10.392
  375    HA   GLU  55           HA       GLU  55   6.015   8.418  11.102
  376   1HB   GLU  55          2HB       GLU  55   5.030   7.670   8.750
  377   2HB   GLU  55          1HB       GLU  55   3.515   7.707   9.641
  378   1HG   GLU  55          2HG       GLU  55   3.716   9.818   8.645
  379   2HG   GLU  55          1HG       GLU  55   4.138  10.056  10.340
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  11.444  -3.431   3.297
    2   2H    ALA   1          2H        ALA   1  10.200  -2.253   3.393
    3   3H    ALA   1          3H        ALA   1  11.501  -2.043   2.295
    4    HA   ALA   1           HA       ALA   1  10.668  -4.346   1.458
    5   1HB   ALA   1          1HB       ALA   1   7.996  -3.688   1.530
    6   2HB   ALA   1          2HB       ALA   1   8.544  -3.347   3.172
    7   3HB   ALA   1          3HB       ALA   1   8.782  -4.950   2.478
    8    H    HIS   2           H        HIS   2   9.051  -4.122  -0.460
    9    HA   HIS   2           HA       HIS   2   9.116  -1.459  -1.654
   10   1HB   HIS   2          2HB       HIS   2  10.773  -3.723  -2.428
   11   2HB   HIS   2          1HB       HIS   2   9.840  -3.068  -3.763
   12    HD1  HIS   2           1HD      HIS   2  13.054  -2.793  -2.636
   13    HD2  HIS   2           2HD      HIS   2  10.133   0.071  -3.366
   14    HE1  HIS   2           1HE      HIS   2  14.298  -0.634  -2.979
   15    HE2  HIS   2           2HE      HIS   2  12.515   1.070  -3.490
   16    H    MET   3           H        MET   3   8.452  -2.545  -4.179
   17    HA   MET   3           HA       MET   3   5.649  -2.507  -3.976
   18   1HB   MET   3          2HB       MET   3   6.833  -1.682  -5.939
   19   2HB   MET   3          1HB       MET   3   7.430  -3.298  -6.287
   20   1HG   MET   3          2HG       MET   3   5.197  -4.064  -6.765
   21   2HG   MET   3          1HG       MET   3   4.531  -2.503  -6.295
   22   1HE   MET   3          1HE       MET   3   7.672  -2.902  -9.454
   23   2HE   MET   3          2HE       MET   3   6.478  -4.163  -9.760
   24   3HE   MET   3          3HE       MET   3   7.272  -4.064  -8.189
   25    H    ASP   4           H        ASP   4   5.542  -4.295  -2.376
   26    HA   ASP   4           HA       ASP   4   5.074  -6.866  -3.731
   27   1HB   ASP   4          2HB       ASP   4   6.608  -6.275  -1.253
   28   2HB   ASP   4          1HB       ASP   4   5.546  -7.678  -1.195
   29    H    CYS   5           H        CYS   5   2.870  -6.106  -3.971
   30    HA   CYS   5           HA       CYS   5   1.324  -6.350  -1.480
   31   1HB   CYS   5          2HB       CYS   5   1.653  -3.965  -2.169
   32   2HB   CYS   5          1HB       CYS   5   0.767  -4.314  -3.645
   33    H    THR   6           H        THR   6  -1.093  -5.602  -3.322
   34    HA   THR   6           HA       THR   6  -1.989  -8.229  -3.742
   35    HB   THR   6           HB       THR   6  -3.449  -6.294  -3.341
   36    HG1  THR   6           1HG      THR   6  -3.870  -7.706  -5.757
   37   1HG2  THR   6          1HG2      THR   6  -2.049  -4.956  -5.244
   38   2HG2  THR   6          2HG2      THR   6  -3.633  -4.485  -4.628
   39   3HG2  THR   6          3HG2      THR   6  -3.508  -5.412  -6.123
   40    H    GLU   7           H        GLU   7  -0.178  -6.034  -5.898
   41    HA   GLU   7           HA       GLU   7  -0.625  -6.408  -8.389
   42   1HB   GLU   7          2HB       GLU   7   1.724  -6.845  -8.904
   43   2HB   GLU   7          1HB       GLU   7   1.560  -5.679  -7.599
   44   1HG   GLU   7          2HG       GLU   7   1.815  -7.790  -6.081
   45   2HG   GLU   7          1HG       GLU   7   2.554  -8.483  -7.524
   46    H    PHE   8           H        PHE   8  -2.236  -8.125  -8.430
   47    HA   PHE   8           HA       PHE   8  -1.194 -10.486  -9.682
   48   1HB   PHE   8          2HB       PHE   8  -2.547 -10.655  -6.985
   49   2HB   PHE   8          1HB       PHE   8  -2.499 -12.018  -8.094
   50    HD1  PHE   8           1HD      PHE   8  -0.877 -10.454  -5.417
   51    HD2  PHE   8           2HD      PHE   8  -0.107 -12.622  -8.997
   52    HE1  PHE   8           1HE      PHE   8   1.343 -11.079  -4.558
   53    HE2  PHE   8           2HE      PHE   8   2.113 -13.252  -8.144
   54    HZ   PHE   8           HZ       PHE   8   2.840 -12.479  -5.921
   55    H    ASN   9           H        ASN   9  -3.734 -11.968  -9.245
   56    HA   ASN   9           HA       ASN   9  -5.247 -10.743 -11.316
   57   1HB   ASN   9          2HB       ASN   9  -6.421 -12.867  -9.558
   58   2HB   ASN   9          1HB       ASN   9  -6.591 -12.636 -11.292
   59   1HD2  ASN   9          1HD2      ASN   9  -5.322 -13.757 -12.621
   60   2HD2  ASN   9          2HD2      ASN   9  -3.997 -14.749 -12.127
   61    HA   PRO  10           HA       PRO  10  -8.255  -9.470  -7.874
   62   1HB   PRO  10          2HB       PRO  10  -7.956 -10.283  -5.362
   63   2HB   PRO  10          1HB       PRO  10  -8.513 -11.410  -6.606
   64   1HG   PRO  10          2HG       PRO  10  -5.834 -11.172  -5.328
   65   2HG   PRO  10          1HG       PRO  10  -6.686 -12.619  -5.893
   66   1HD   PRO  10          2HD       PRO  10  -4.678 -11.182  -7.275
   67   2HD   PRO  10          1HD       PRO  10  -5.697 -12.478  -7.926
   68    H    LEU  11           H        LEU  11  -7.128  -7.435  -8.340
   69    HA   LEU  11           HA       LEU  11  -5.053  -6.438  -6.718
   70   1HB   LEU  11          2HB       LEU  11  -6.695  -5.478  -8.884
   71   2HB   LEU  11          1HB       LEU  11  -6.497  -4.229  -7.671
   72    HG   LEU  11           HG       LEU  11  -4.092  -4.328  -7.879
   73   1HD1  LEU  11          1HD1      LEU  11  -4.703  -6.809  -9.362
   74   2HD1  LEU  11          2HD1      LEU  11  -3.344  -6.418  -8.307
   75   3HD1  LEU  11          3HD1      LEU  11  -3.367  -5.831  -9.970
   76   1HD2  LEU  11          1HD2      LEU  11  -3.900  -3.779 -10.360
   77   2HD2  LEU  11          2HD2      LEU  11  -5.037  -2.823  -9.412
   78   3HD2  LEU  11          3HD2      LEU  11  -5.628  -4.119 -10.451
   79    H    CYS  12           H        CYS  12  -5.364  -4.247  -5.575
   80    HA   CYS  12           HA       CYS  12  -6.029  -4.345  -3.133
   81   1HB   CYS  12          2HB       CYS  12  -6.766  -2.043  -3.070
   82   2HB   CYS  12          1HB       CYS  12  -5.469  -2.242  -4.235
   83    H    ARG  13           H        ARG  13  -7.478  -6.216  -3.309
   84    HA   ARG  13           HA       ARG  13 -10.327  -5.500  -3.382
   85   1HB   ARG  13          2HB       ARG  13 -10.532  -8.062  -2.877
   86   2HB   ARG  13          1HB       ARG  13 -10.119  -7.522  -4.496
   87   1HG   ARG  13          2HG       ARG  13  -8.779  -9.440  -3.756
   88   2HG   ARG  13          1HG       ARG  13  -7.792  -8.028  -4.121
   89   1HD   ARG  13          2HD       ARG  13  -7.206  -7.702  -1.942
   90   2HD   ARG  13          1HD       ARG  13  -8.703  -8.392  -1.321
   91    HE   ARG  13           HE       ARG  13  -7.023 -10.333  -2.587
   92   1HH1  ARG  13          1HH1      ARG  13  -7.608  -8.603   0.389
   93   2HH1  ARG  13          2HH1      ARG  13  -6.873  -9.815   1.384
   94   1HH2  ARG  13          1HH2      ARG  13  -6.056 -11.926  -1.279
   95   2HH2  ARG  13          2HH2      ARG  13  -5.992 -11.701   0.437
   96    H    CYS  14           H        CYS  14  -8.757  -4.369  -1.388
   97    HA   CYS  14           HA       CYS  14  -9.963  -5.541   1.003
   98   1HB   CYS  14          2HB       CYS  14  -7.374  -4.403   1.591
   99   2HB   CYS  14          1HB       CYS  14  -7.987  -6.012   1.946
  100    H    ASN  15           H        ASN  15 -11.325  -4.015   1.689
  101    HA   ASN  15           HA       ASN  15 -10.693  -1.185   1.340
  102   1HB   ASN  15          2HB       ASN  15 -13.090  -2.718   1.429
  103   2HB   ASN  15          1HB       ASN  15 -13.140  -1.562   2.748
  104   1HD2  ASN  15          1HD2      ASN  15 -12.363   0.692   2.063
  105   2HD2  ASN  15          2HD2      ASN  15 -13.030   1.289   0.586
  106    H    LYS  16           H        LYS  16 -11.490  -3.450   3.897
  107    HA   LYS  16           HA       LYS  16 -11.756  -2.339   6.176
  108   1HB   LYS  16          2HB       LYS  16 -10.313  -3.904   7.289
  109   2HB   LYS  16          1HB       LYS  16 -11.036  -4.692   5.895
  110   1HG   LYS  16          2HG       LYS  16  -9.044  -5.177   5.061
  111   2HG   LYS  16          1HG       LYS  16  -8.536  -3.490   5.157
  112   1HD   LYS  16          2HD       LYS  16  -7.055  -4.940   6.457
  113   2HD   LYS  16          1HD       LYS  16  -7.914  -3.803   7.498
  114   1HE   LYS  16          2HE       LYS  16  -9.629  -5.744   7.747
  115   2HE   LYS  16          1HE       LYS  16  -8.296  -6.753   7.189
  116   1HZ   LYS  16          1HZ       LYS  16  -7.035  -6.253   9.054
  117   2HZ   LYS  16          2HZ       LYS  16  -8.594  -6.406   9.691
  118   3HZ   LYS  16          3HZ       LYS  16  -7.934  -4.870   9.434
  119    H    MET  17           H        MET  17 -11.061  -0.134   5.294
  120    HA   MET  17           HA       MET  17  -8.407   0.783   5.513
  121   1HB   MET  17          2HB       MET  17 -10.222   1.987   4.406
  122   2HB   MET  17          1HB       MET  17 -10.961   2.287   5.971
  123   1HG   MET  17          2HG       MET  17  -9.458   3.894   6.538
  124   2HG   MET  17          1HG       MET  17  -8.164   3.178   5.580
  125   1HE   MET  17          1HE       MET  17 -11.738   3.952   4.880
  126   2HE   MET  17          2HE       MET  17 -11.740   4.987   3.453
  127   3HE   MET  17          3HE       MET  17 -11.512   5.691   5.053
  128    H    LEU  18           H        LEU  18  -8.434  -0.697   7.597
  129    HA   LEU  18           HA       LEU  18  -7.683   0.974   9.739
  130   1HB   LEU  18          2HB       LEU  18  -9.322   0.336  11.389
  131   2HB   LEU  18          1HB       LEU  18 -10.121   1.089  10.021
  132    HG   LEU  18           HG       LEU  18 -10.135  -1.674   9.485
  133   1HD1  LEU  18          1HD1      LEU  18 -10.669  -2.807  11.357
  134   2HD1  LEU  18          2HD1      LEU  18 -11.488  -1.429  12.090
  135   3HD1  LEU  18          3HD1      LEU  18  -9.729  -1.537  12.139
  136   1HD2  LEU  18          1HD2      LEU  18 -11.973  -0.596   8.703
  137   2HD2  LEU  18          2HD2      LEU  18 -12.091   0.460  10.111
  138   3HD2  LEU  18          3HD2      LEU  18 -12.655  -1.207  10.211
  139    H    GLY  19           H        GLY  19  -5.949  -0.593   8.820
  140   1HA   GLY  19          2HA       GLY  19  -5.764  -2.796  10.722
  141   2HA   GLY  19          1HA       GLY  19  -5.747  -3.238   9.025
  142    H    ASP  20           H        ASP  20  -3.817  -3.513   8.182
  143    HA   ASP  20           HA       ASP  20  -1.421  -3.246   9.470
  144   1HB   ASP  20          2HB       ASP  20  -1.699  -2.958   6.485
  145   2HB   ASP  20          1HB       ASP  20  -0.357  -3.645   7.386
  146    H    LEU  21           H        LEU  21   0.464  -1.973   8.349
  147    HA   LEU  21           HA       LEU  21  -0.206   0.827   7.887
  148   1HB   LEU  21          2HB       LEU  21   0.030   0.797  10.275
  149   2HB   LEU  21          1HB       LEU  21   1.504  -0.148  10.173
  150    HG   LEU  21           HG       LEU  21   2.709   1.729   9.243
  151   1HD1  LEU  21          1HD1      LEU  21  -0.012   2.958   9.107
  152   2HD1  LEU  21          2HD1      LEU  21   1.247   2.881   7.873
  153   3HD1  LEU  21          3HD1      LEU  21   1.421   3.976   9.244
  154   1HD2  LEU  21          1HD2      LEU  21   3.022   2.744  11.225
  155   2HD2  LEU  21          2HD2      LEU  21   1.888   1.528  11.813
  156   3HD2  LEU  21          3HD2      LEU  21   1.314   3.146  11.408
  157    H    ILE  22           H        ILE  22   0.644   0.815   5.882
  158    HA   ILE  22           HA       ILE  22   3.332  -0.230   5.435
  159    HB   ILE  22           HB       ILE  22   1.876  -0.919   3.746
  160   1HG1  ILE  22          2HG1      ILE  22   4.040   0.377   3.023
  161   2HG1  ILE  22          1HG1      ILE  22   2.897  -0.232   1.835
  162   1HG2  ILE  22          1HG2      ILE  22   0.802   1.870   3.784
  163   2HG2  ILE  22          2HG2      ILE  22  -0.051   0.352   4.065
  164   3HG2  ILE  22          3HG2      ILE  22   0.491   0.772   2.442
  165   1HD1  ILE  22          1HD1      ILE  22   3.832   2.239   1.777
  166   2HD1  ILE  22          2HD1      ILE  22   2.451   2.512   2.835
  167   3HD1  ILE  22          3HD1      ILE  22   2.214   1.826   1.228
  168    H    CYS  23           H        CYS  23   4.956   1.036   4.335
  169    HA   CYS  23           HA       CYS  23   4.689   3.933   4.896
  170   1HB   CYS  23          2HB       CYS  23   7.366   2.612   4.668
  171   2HB   CYS  23          1HB       CYS  23   6.906   4.042   5.582
  172    H    ALA  24           H        ALA  24   3.824   4.340   2.817
  173    HA   ALA  24           HA       ALA  24   5.343   3.542   0.496
  174   1HB   ALA  24          1HB       ALA  24   3.504   5.077  -0.603
  175   2HB   ALA  24          2HB       ALA  24   2.715   4.808   0.951
  176   3HB   ALA  24          3HB       ALA  24   3.157   3.435  -0.063
  177    H    VAL  25           H        VAL  25   6.702   4.664  -0.656
  178    HA   VAL  25           HA       VAL  25   6.878   7.567  -0.253
  179    HB   VAL  25           HB       VAL  25   8.721   6.310   0.930
  180   1HG1  VAL  25          1HG1      VAL  25  10.637   5.725  -0.729
  181   2HG1  VAL  25          2HG1      VAL  25   9.322   5.499  -1.878
  182   3HG1  VAL  25          3HG1      VAL  25   9.371   4.546  -0.396
  183   1HG2  VAL  25          1HG2      VAL  25  10.226   8.006   0.555
  184   2HG2  VAL  25          2HG2      VAL  25   8.737   8.720  -0.066
  185   3HG2  VAL  25          3HG2      VAL  25   9.922   8.037  -1.182
  186    H    ILE  26           H        ILE  26   7.521   8.756  -2.038
  187    HA   ILE  26           HA       ILE  26   7.881   7.366  -4.575
  188    HB   ILE  26           HB       ILE  26   6.133   9.344  -5.341
  189   1HG1  ILE  26          2HG1      ILE  26   5.497   9.528  -2.883
  190   2HG1  ILE  26          1HG1      ILE  26   4.173   9.262  -4.008
  191   1HG2  ILE  26          1HG2      ILE  26   6.480   6.785  -5.891
  192   2HG2  ILE  26          2HG2      ILE  26   5.007   7.647  -6.329
  193   3HG2  ILE  26          3HG2      ILE  26   5.037   6.627  -4.891
  194   1HD1  ILE  26          1HD1      ILE  26   5.063   7.666  -1.767
  195   2HD1  ILE  26          2HD1      ILE  26   4.914   6.712  -3.243
  196   3HD1  ILE  26          3HD1      ILE  26   3.534   7.635  -2.645
  197    H    GLY  27           H        GLY  27   9.948   8.250  -4.523
  198   1HA   GLY  27          2HA       GLY  27  11.540   9.736  -5.251
  199   2HA   GLY  27          1HA       GLY  27  10.228  10.754  -5.824
  200    H    ASP  28           H        ASP  28   8.915  11.601  -3.792
  201    HA   ASP  28           HA       ASP  28  10.605  12.381  -1.587
  202   1HB   ASP  28          2HB       ASP  28  10.226  14.820  -1.974
  203   2HB   ASP  28          1HB       ASP  28  11.261  14.070  -3.186
  204    H    ALA  29           H        ALA  29   8.031  10.957  -2.168
  205    HA   ALA  29           HA       ALA  29   6.349  12.570  -0.358
  206   1HB   ALA  29          1HB       ALA  29   5.705  11.517  -3.006
  207   2HB   ALA  29          2HB       ALA  29   4.923  12.790  -2.069
  208   3HB   ALA  29          3HB       ALA  29   4.521  11.099  -1.767
  209    H    LYS  30           H        LYS  30   7.257  11.332   1.354
  210    HA   LYS  30           HA       LYS  30   6.598   8.485   1.381
  211   1HB   LYS  30          2HB       LYS  30   8.876   9.096   2.021
  212   2HB   LYS  30          1HB       LYS  30   8.257  10.147   3.287
  213   1HG   LYS  30          2HG       LYS  30   7.216   8.111   4.326
  214   2HG   LYS  30          1HG       LYS  30   8.120   7.148   3.157
  215   1HD   LYS  30          2HD       LYS  30  10.134   8.610   4.076
  216   2HD   LYS  30          1HD       LYS  30   9.087   8.711   5.494
  217   1HE   LYS  30          2HE       LYS  30   9.364   6.019   4.351
  218   2HE   LYS  30          1HE       LYS  30  10.852   6.700   5.007
  219   1HZ   LYS  30          1HZ       LYS  30   8.334   6.723   6.553
  220   2HZ   LYS  30          2HZ       LYS  30   9.918   6.891   7.119
  221   3HZ   LYS  30          3HZ       LYS  30   9.370   5.386   6.575
  222    H    GLU  31           H        GLU  31   4.521   8.186   1.937
  223    HA   GLU  31           HA       GLU  31   3.629   9.314   4.498
  224   1HB   GLU  31          2HB       GLU  31   2.659  10.279   2.174
  225   2HB   GLU  31          1HB       GLU  31   1.561   8.926   2.409
  226   1HG   GLU  31          2HG       GLU  31   2.057  11.171   4.352
  227   2HG   GLU  31          1HG       GLU  31   0.636  10.966   3.327
  228    H    GLU  32           H        GLU  32   2.478   7.933   5.790
  229    HA   GLU  32           HA       GLU  32   2.449   5.141   4.945
  230   1HB   GLU  32          2HB       GLU  32   2.010   6.443   7.632
  231   2HB   GLU  32          1HB       GLU  32   1.859   4.715   7.350
  232   1HG   GLU  32          2HG       GLU  32   4.023   5.289   8.310
  233   2HG   GLU  32          1HG       GLU  32   4.189   4.583   6.703
  234    H    HIS  33           H        HIS  33   0.615   3.791   5.263
  235    HA   HIS  33           HA       HIS  33  -1.955   4.948   5.814
  236   1HB   HIS  33          2HB       HIS  33  -2.889   4.272   3.563
  237   2HB   HIS  33          1HB       HIS  33  -1.847   5.692   3.558
  238    HD1  HIS  33           1HD      HIS  33  -2.300   2.474   1.955
  239    HD2  HIS  33           2HD      HIS  33   0.874   5.058   2.656
  240    HE1  HIS  33           1HE      HIS  33  -0.489   1.768   0.360
  241    HE2  HIS  33           2HE      HIS  33   1.334   3.459   0.681
  242    H    ARG  34           H        ARG  34  -3.561   3.395   6.121
  243    HA   ARG  34           HA       ARG  34  -2.544   0.769   6.744
  244   1HB   ARG  34          2HB       ARG  34  -5.433   1.549   6.959
  245   2HB   ARG  34          1HB       ARG  34  -4.516   0.417   7.944
  246   1HG   ARG  34          2HG       ARG  34  -4.291   3.419   7.972
  247   2HG   ARG  34          1HG       ARG  34  -5.002   2.395   9.222
  248   1HD   ARG  34          2HD       ARG  34  -2.195   1.853   8.416
  249   2HD   ARG  34          1HD       ARG  34  -2.508   3.299   9.375
  250    HE   ARG  34           HE       ARG  34  -2.471   0.634  10.314
  251   1HH1  ARG  34          1HH1      ARG  34  -4.203   3.640  10.700
  252   2HH1  ARG  34          2HH1      ARG  34  -4.684   3.298  12.328
  253   1HH2  ARG  34          1HH2      ARG  34  -3.103   0.183  12.454
  254   2HH2  ARG  34          2HH2      ARG  34  -4.059   1.336  13.325
  255    H    ASN  35           H        ASN  35  -4.576   2.208   4.277
  256    HA   ASN  35           HA       ASN  35  -5.434  -0.369   3.269
  257   1HB   ASN  35          2HB       ASN  35  -5.948   2.476   2.483
  258   2HB   ASN  35          1HB       ASN  35  -6.321   1.176   1.357
  259   1HD2  ASN  35          1HD2      ASN  35  -7.231  -0.776   3.063
  260   2HD2  ASN  35          2HD2      ASN  35  -8.693  -0.247   3.815
  261    H    MET  36           H        MET  36  -2.877  -0.697   3.180
  262    HA   MET  36           HA       MET  36  -1.379   0.343   1.094
  263   1HB   MET  36          2HB       MET  36  -0.574  -1.167   2.964
  264   2HB   MET  36          1HB       MET  36  -1.216  -2.516   2.041
  265   1HG   MET  36          2HG       MET  36   0.272  -1.843   0.158
  266   2HG   MET  36          1HG       MET  36   0.999  -0.652   1.234
  267   1HE   MET  36          1HE       MET  36   1.498  -4.248  -0.107
  268   2HE   MET  36          2HE       MET  36   0.011  -4.320   0.840
  269   3HE   MET  36          3HE       MET  36   1.441  -5.200   1.376
  270    H    CYS  37           H        CYS  37  -3.976  -1.907   1.017
  271    HA   CYS  37           HA       CYS  37  -3.408  -3.170  -1.425
  272   1HB   CYS  37          2HB       CYS  37  -5.935  -2.709   0.130
  273   2HB   CYS  37          1HB       CYS  37  -5.973  -3.498  -1.441
  274    H    ALA  38           H        ALA  38  -5.904  -0.721  -0.855
  275    HA   ALA  38           HA       ALA  38  -6.387  -0.132  -3.518
  276   1HB   ALA  38          1HB       ALA  38  -7.497   0.661  -1.204
  277   2HB   ALA  38          2HB       ALA  38  -7.816   1.439  -2.754
  278   3HB   ALA  38          3HB       ALA  38  -6.631   2.132  -1.646
  279    H    LEU  39           H        LEU  39  -3.676   0.770  -1.596
  280    HA   LEU  39           HA       LEU  39  -2.987   3.009  -3.294
  281   1HB   LEU  39          2HB       LEU  39  -2.271   2.069  -0.733
  282   2HB   LEU  39          1HB       LEU  39  -0.804   2.143  -1.683
  283    HG   LEU  39           HG       LEU  39  -2.070   4.561  -2.229
  284   1HD1  LEU  39          1HD1      LEU  39  -2.010   5.034   0.528
  285   2HD1  LEU  39          2HD1      LEU  39  -2.987   3.583   0.310
  286   3HD1  LEU  39          3HD1      LEU  39  -3.412   5.067  -0.541
  287   1HD2  LEU  39          1HD2      LEU  39   0.067   5.090  -1.927
  288   2HD2  LEU  39          2HD2      LEU  39   0.361   3.589  -1.056
  289   3HD2  LEU  39          3HD2      LEU  39  -0.196   5.019  -0.188
  290    H    CYS  40           H        CYS  40  -1.982  -0.341  -2.825
  291    HA   CYS  40           HA       CYS  40   0.201  -0.096  -4.655
  292   1HB   CYS  40          2HB       CYS  40   0.286  -2.597  -4.506
  293   2HB   CYS  40          1HB       CYS  40   0.421  -1.761  -2.966
  294    H    CYS  41           H        CYS  41  -3.184  -0.829  -4.912
  295    HA   CYS  41           HA       CYS  41  -2.903  -1.958  -7.564
  296   1HB   CYS  41          2HB       CYS  41  -5.104  -2.525  -7.386
  297   2HB   CYS  41          1HB       CYS  41  -4.712  -2.367  -5.691
  298    H    GLU  42           H        GLU  42  -3.835   1.081  -6.107
  299    HA   GLU  42           HA       GLU  42  -4.613   2.312  -8.586
  300   1HB   GLU  42          2HB       GLU  42  -5.573   3.026  -6.441
  301   2HB   GLU  42          1HB       GLU  42  -3.986   3.559  -5.905
  302   1HG   GLU  42          2HG       GLU  42  -3.936   5.315  -7.488
  303   2HG   GLU  42          1HG       GLU  42  -5.339   4.673  -8.343
  304    H    HIS  43           H        HIS  43  -1.687   2.165  -6.668
  305    HA   HIS  43           HA       HIS  43  -0.316   4.178  -8.234
  306   1HB   HIS  43          2HB       HIS  43   0.523   2.368  -5.974
  307   2HB   HIS  43          1HB       HIS  43   1.635   3.469  -6.774
  308    HD1  HIS  43           1HD      HIS  43  -0.149   5.927  -7.081
  309    HD2  HIS  43           2HD      HIS  43   0.078   3.668  -3.603
  310    HE1  HIS  43           1HE      HIS  43  -0.942   7.446  -5.245
  311    HE2  HIS  43           2HE      HIS  43  -0.962   6.002  -3.185
  312    HA   PRO  44           HA       PRO  44   1.813   1.856 -11.279
  313   1HB   PRO  44          2HB       PRO  44   4.446   2.217  -9.950
  314   2HB   PRO  44          1HB       PRO  44   3.935   2.671 -11.580
  315   1HG   PRO  44          2HG       PRO  44   4.248   4.529  -9.702
  316   2HG   PRO  44          1HG       PRO  44   2.900   4.624 -10.853
  317   1HD   PRO  44          2HD       PRO  44   2.898   3.707  -8.001
  318   2HD   PRO  44          1HD       PRO  44   1.712   4.720  -8.850
  319    H    GLY  45           H        GLY  45   0.766  -0.085 -10.309
  320   1HA   GLY  45          2HA       GLY  45   0.835  -2.268  -9.599
  321   2HA   GLY  45          1HA       GLY  45   2.492  -2.262 -10.189
  322    H    GLY  46           H        GLY  46   1.715   0.025  -7.748
  323   1HA   GLY  46          2HA       GLY  46   1.775  -0.444  -5.357
  324   2HA   GLY  46          1HA       GLY  46   2.926  -1.721  -5.703
  325    H    PHE  47           H        PHE  47   2.525   1.517  -4.830
  326    HA   PHE  47           HA       PHE  47   4.759   2.818  -5.813
  327   1HB   PHE  47          2HB       PHE  47   3.026   3.099  -3.438
  328   2HB   PHE  47          1HB       PHE  47   4.624   3.807  -3.268
  329    HD1  PHE  47           1HD      PHE  47   4.166   4.165  -6.613
  330    HD2  PHE  47           2HD      PHE  47   2.514   5.591  -2.960
  331    HE1  PHE  47           1HE      PHE  47   3.382   6.188  -7.763
  332    HE2  PHE  47           2HE      PHE  47   1.727   7.618  -4.106
  333    HZ   PHE  47           HZ       PHE  47   2.159   7.919  -6.510
  334    H    GLU  48           H        GLU  48   6.498   3.607  -3.983
  335    HA   GLU  48           HA       GLU  48   8.046   1.165  -3.485
  336   1HB   GLU  48          2HB       GLU  48   9.230   3.657  -2.504
  337   2HB   GLU  48          1HB       GLU  48   9.888   2.456  -3.602
  338   1HG   GLU  48          2HG       GLU  48   7.998   3.714  -5.137
  339   2HG   GLU  48          1HG       GLU  48   8.649   5.021  -4.154
  340    H    TYR  49           H        TYR  49   6.091   0.778  -1.969
  341    HA   TYR  49           HA       TYR  49   6.273   2.052   0.609
  342   1HB   TYR  49          2HB       TYR  49   4.580   0.340   1.238
  343   2HB   TYR  49          1HB       TYR  49   4.096   1.468  -0.015
  344    HD1  TYR  49           1HD      TYR  49   3.883   0.701  -2.327
  345    HD2  TYR  49           2HD      TYR  49   4.840  -1.976   0.827
  346    HE1  TYR  49           1HE      TYR  49   3.308  -1.191  -3.763
  347    HE2  TYR  49           2HE      TYR  49   4.270  -3.883  -0.598
  348    HH   TYR  49           HH       TYR  49   2.786  -3.439  -3.746
  349    H    SER  50           H        SER  50   6.489   0.887   2.546
  350    HA   SER  50           HA       SER  50   8.067  -1.564   2.395
  351   1HB   SER  50          2HB       SER  50   9.554  -0.576   4.238
  352   2HB   SER  50          1HB       SER  50   9.825  -0.002   2.593
  353    HG   SER  50           HG       SER  50   9.709   1.824   3.753
  354    H    ASN  51           H        ASN  51   6.594  -2.847   3.318
  355    HA   ASN  51           HA       ASN  51   4.685  -2.195   5.168
  356   1HB   ASN  51          2HB       ASN  51   6.107  -4.851   5.063
  357   2HB   ASN  51          1HB       ASN  51   4.497  -4.529   5.700
  358   1HD2  ASN  51          1HD2      ASN  51   2.876  -4.950   4.393
  359   2HD2  ASN  51          2HD2      ASN  51   2.949  -5.027   2.669
  360    H    GLY  52           H        GLY  52   4.574  -1.829   7.240
  361   1HA   GLY  52          2HA       GLY  52   5.678  -2.708   9.436
  362   2HA   GLY  52          1HA       GLY  52   7.076  -1.865   8.783
  363    HA   PRO  53           HA       PRO  53   4.156   1.090  11.089
  364   1HB   PRO  53          2HB       PRO  53   5.081   1.029  13.605
  365   2HB   PRO  53          1HB       PRO  53   3.888  -0.143  13.030
  366   1HG   PRO  53          2HG       PRO  53   6.845  -0.461  13.373
  367   2HG   PRO  53          1HG       PRO  53   5.543  -1.592  13.782
  368   1HD   PRO  53          2HD       PRO  53   7.059  -1.760  11.501
  369   2HD   PRO  53          1HD       PRO  53   5.410  -2.399  11.645
  370    H    CYS  54           H        CYS  54   5.244   2.662   9.851
  371    HA   CYS  54           HA       CYS  54   7.834   3.602  10.838
  372   1HB   CYS  54          2HB       CYS  54   6.269   4.374   8.366
  373   2HB   CYS  54          1HB       CYS  54   7.856   5.004   8.794
  374    H    GLU  55           H        GLU  55   4.562   4.794  10.164
  375    HA   GLU  55           HA       GLU  55   5.137   7.349  11.404
  376   1HB   GLU  55          2HB       GLU  55   3.622   7.023   9.387
  377   2HB   GLU  55          1HB       GLU  55   2.446   6.329  10.496
  378   1HG   GLU  55          2HG       GLU  55   2.966   8.627  11.774
  379   2HG   GLU  55          1HG       GLU  55   3.271   9.131  10.112
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  10.170  -0.136  -0.459
    2   2H    ALA   1          2H        ALA   1   8.932  -1.322  -0.520
    3   3H    ALA   1          3H        ALA   1   8.572   0.315  -0.883
    4    HA   ALA   1           HA       ALA   1  10.010   0.219  -2.782
    5   1HB   ALA   1          1HB       ALA   1  11.235  -1.824  -1.575
    6   2HB   ALA   1          2HB       ALA   1  11.299  -1.564  -3.318
    7   3HB   ALA   1          3HB       ALA   1  10.163  -2.730  -2.642
    8    H    HIS   2           H        HIS   2   9.099  -0.271  -4.802
    9    HA   HIS   2           HA       HIS   2   6.293  -0.730  -4.787
   10   1HB   HIS   2          2HB       HIS   2   8.135  -0.779  -7.186
   11   2HB   HIS   2          1HB       HIS   2   6.408  -0.450  -7.181
   12    HD1  HIS   2           1HD      HIS   2   5.672   1.897  -6.195
   13    HD2  HIS   2           2HD      HIS   2   9.759   1.398  -6.755
   14    HE1  HIS   2           1HE      HIS   2   6.651   4.211  -6.102
   15    HE2  HIS   2           2HE      HIS   2   9.114   3.892  -6.525
   16    H    MET   3           H        MET   3   6.733  -2.856  -3.575
   17    HA   MET   3           HA       MET   3   7.030  -5.031  -5.553
   18   1HB   MET   3          2HB       MET   3   8.143  -4.672  -2.859
   19   2HB   MET   3          1HB       MET   3   7.464  -6.266  -3.156
   20   1HG   MET   3          2HG       MET   3   9.752  -6.386  -3.705
   21   2HG   MET   3          1HG       MET   3   8.866  -6.374  -5.229
   22   1HE   MET   3          1HE       MET   3  12.374  -3.925  -4.337
   23   2HE   MET   3          2HE       MET   3  11.948  -5.615  -4.063
   24   3HE   MET   3          3HE       MET   3  11.417  -4.376  -2.925
   25    H    ASP   4           H        ASP   4   5.911  -5.442  -2.240
   26    HA   ASP   4           HA       ASP   4   3.925  -7.215  -2.681
   27   1HB   ASP   4          2HB       ASP   4   4.763  -5.683  -0.509
   28   2HB   ASP   4          1HB       ASP   4   3.046  -5.320  -0.659
   29    H    CYS   5           H        CYS   5   1.536  -6.999  -2.495
   30    HA   CYS   5           HA       CYS   5   0.295  -4.571  -3.364
   31   1HB   CYS   5          2HB       CYS   5   1.310  -6.058  -5.422
   32   2HB   CYS   5          1HB       CYS   5  -0.331  -6.688  -5.310
   33    H    THR   6           H        THR   6  -2.093  -5.534  -4.352
   34    HA   THR   6           HA       THR   6  -3.605  -6.069  -2.164
   35    HB   THR   6           HB       THR   6  -4.136  -7.141  -4.949
   36    HG1  THR   6           1HG      THR   6  -3.898  -5.022  -5.234
   37   1HG2  THR   6          1HG2      THR   6  -6.262  -7.540  -4.392
   38   2HG2  THR   6          2HG2      THR   6  -6.355  -6.133  -3.332
   39   3HG2  THR   6          3HG2      THR   6  -5.634  -7.634  -2.747
   40    H    GLU   7           H        GLU   7  -3.520  -8.817  -4.479
   41    HA   GLU   7           HA       GLU   7  -2.097 -10.600  -2.902
   42   1HB   GLU   7          2HB       GLU   7  -3.442 -11.115  -1.208
   43   2HB   GLU   7          1HB       GLU   7  -4.607  -9.930  -1.778
   44   1HG   GLU   7          2HG       GLU   7  -5.719 -11.589  -3.112
   45   2HG   GLU   7          1HG       GLU   7  -4.489 -12.787  -2.710
   46    H    PHE   8           H        PHE   8  -4.644 -10.008  -5.220
   47    HA   PHE   8           HA       PHE   8  -3.694 -12.273  -6.793
   48   1HB   PHE   8          2HB       PHE   8  -6.521 -12.094  -5.738
   49   2HB   PHE   8          1HB       PHE   8  -6.080 -13.098  -7.111
   50    HD1  PHE   8           1HD      PHE   8  -3.633 -14.363  -6.390
   51    HD2  PHE   8           2HD      PHE   8  -6.971 -13.418  -3.927
   52    HE1  PHE   8           1HE      PHE   8  -3.022 -16.196  -4.866
   53    HE2  PHE   8           2HE      PHE   8  -6.365 -15.245  -2.395
   54    HZ   PHE   8           HZ       PHE   8  -4.389 -16.638  -2.864
   55    H    ASN   9           H        ASN   9  -6.121 -12.206  -8.501
   56    HA   ASN   9           HA       ASN   9  -5.328 -10.103 -10.231
   57   1HB   ASN   9          2HB       ASN   9  -7.991 -11.466 -10.487
   58   2HB   ASN   9          1HB       ASN   9  -6.891 -10.935 -11.752
   59   1HD2  ASN   9          1HD2      ASN   9  -5.542 -12.367 -12.616
   60   2HD2  ASN   9          2HD2      ASN   9  -5.285 -13.973 -12.032
   61    HA   PRO  10           HA       PRO  10  -9.401  -7.992  -8.749
   62   1HB   PRO  10          2HB       PRO  10 -10.516  -8.895  -6.445
   63   2HB   PRO  10          1HB       PRO  10 -10.976  -9.525  -8.031
   64   1HG   PRO  10          2HG       PRO  10  -9.137 -10.694  -5.988
   65   2HG   PRO  10          1HG       PRO  10 -10.338 -11.504  -7.009
   66   1HD   PRO  10          2HD       PRO  10  -7.670 -11.505  -7.544
   67   2HD   PRO  10          1HD       PRO  10  -8.913 -11.621  -8.804
   68    H    LEU  11           H        LEU  11  -7.388  -6.792  -8.398
   69    HA   LEU  11           HA       LEU  11  -5.886  -6.615  -6.115
   70   1HB   LEU  11          2HB       LEU  11  -6.624  -4.108  -7.521
   71   2HB   LEU  11          1HB       LEU  11  -5.073  -4.615  -6.885
   72    HG   LEU  11           HG       LEU  11  -6.387  -5.522  -9.441
   73   1HD1  LEU  11          1HD1      LEU  11  -4.890  -4.238 -10.527
   74   2HD1  LEU  11          2HD1      LEU  11  -3.618  -4.528  -9.341
   75   3HD1  LEU  11          3HD1      LEU  11  -4.878  -3.340  -9.009
   76   1HD2  LEU  11          1HD2      LEU  11  -4.612  -7.072  -9.767
   77   2HD2  LEU  11          2HD2      LEU  11  -5.300  -7.403  -8.177
   78   3HD2  LEU  11          3HD2      LEU  11  -3.780  -6.520  -8.313
   79    H    CYS  12           H        CYS  12  -5.969  -4.070  -5.214
   80    HA   CYS  12           HA       CYS  12  -6.876  -3.942  -2.873
   81   1HB   CYS  12          2HB       CYS  12  -7.504  -1.625  -3.004
   82   2HB   CYS  12          1HB       CYS  12  -6.121  -1.946  -4.037
   83    H    ARG  13           H        ARG  13  -8.363  -5.719  -2.977
   84    HA   ARG  13           HA       ARG  13 -11.181  -4.945  -3.293
   85   1HB   ARG  13          2HB       ARG  13 -10.647  -7.050  -4.334
   86   2HB   ARG  13          1HB       ARG  13  -9.806  -7.613  -2.899
   87   1HG   ARG  13          2HG       ARG  13 -12.592  -6.944  -2.385
   88   2HG   ARG  13          1HG       ARG  13 -12.393  -8.206  -3.601
   89   1HD   ARG  13          2HD       ARG  13 -10.577  -8.783  -1.521
   90   2HD   ARG  13          1HD       ARG  13 -12.110  -8.378  -0.756
   91    HE   ARG  13           HE       ARG  13 -11.614 -10.600  -2.601
   92   1HH1  ARG  13          1HH1      ARG  13 -13.799  -8.905  -0.459
   93   2HH1  ARG  13          2HH1      ARG  13 -14.920 -10.219  -0.369
   94   1HH2  ARG  13          1HH2      ARG  13 -13.094 -12.320  -2.479
   95   2HH2  ARG  13          2HH2      ARG  13 -14.521 -12.156  -1.513
   96    H    CYS  14           H        CYS  14  -9.462  -3.874  -1.230
   97    HA   CYS  14           HA       CYS  14 -10.838  -4.841   1.146
   98   1HB   CYS  14          2HB       CYS  14  -8.367  -3.735   1.935
   99   2HB   CYS  14          1HB       CYS  14  -8.856  -5.421   2.017
  100    H    ASN  15           H        ASN  15 -10.156  -3.108   2.896
  101    HA   ASN  15           HA       ASN  15 -10.060  -0.387   2.131
  102   1HB   ASN  15          2HB       ASN  15 -12.624  -1.605   2.069
  103   2HB   ASN  15          1HB       ASN  15 -12.582  -0.527   3.446
  104   1HD2  ASN  15          1HD2      ASN  15 -10.832   1.402   2.422
  105   2HD2  ASN  15          2HD2      ASN  15 -11.637   2.245   1.147
  106    H    LYS  16           H        LYS  16 -11.426  -2.534   4.565
  107    HA   LYS  16           HA       LYS  16 -11.572  -1.475   6.882
  108   1HB   LYS  16          2HB       LYS  16 -10.586  -3.383   7.972
  109   2HB   LYS  16          1HB       LYS  16 -11.405  -3.915   6.510
  110   1HG   LYS  16          2HG       LYS  16  -8.587  -3.283   6.094
  111   2HG   LYS  16          1HG       LYS  16  -8.858  -4.586   7.252
  112   1HD   LYS  16          2HD       LYS  16  -9.972  -4.447   4.449
  113   2HD   LYS  16          1HD       LYS  16  -8.615  -5.446   4.974
  114   1HE   LYS  16          2HE       LYS  16 -10.117  -7.049   5.361
  115   2HE   LYS  16          1HE       LYS  16 -10.624  -6.095   6.754
  116   1HZ   LYS  16          1HZ       LYS  16 -12.602  -5.975   5.789
  117   2HZ   LYS  16          2HZ       LYS  16 -12.032  -6.650   4.347
  118   3HZ   LYS  16          3HZ       LYS  16 -11.919  -4.981   4.601
  119    H    MET  17           H        MET  17 -10.204   0.527   6.035
  120    HA   MET  17           HA       MET  17  -7.438   0.554   6.678
  121   1HB   MET  17          2HB       MET  17  -7.800   3.074   6.774
  122   2HB   MET  17          1HB       MET  17  -8.090   2.254   5.248
  123   1HG   MET  17          2HG       MET  17 -10.487   2.381   6.852
  124   2HG   MET  17          1HG       MET  17  -9.806   3.982   6.580
  125   1HE   MET  17          1HE       MET  17 -12.818   2.552   3.995
  126   2HE   MET  17          2HE       MET  17 -12.678   3.618   5.393
  127   3HE   MET  17          3HE       MET  17 -12.394   1.886   5.571
  128    H    LEU  18           H        LEU  18  -7.554  -0.536   8.690
  129    HA   LEU  18           HA       LEU  18  -7.271   1.197  10.896
  130   1HB   LEU  18          2HB       LEU  18  -9.107  -0.073  12.232
  131   2HB   LEU  18          1HB       LEU  18  -9.539   1.298  11.229
  132    HG   LEU  18           HG       LEU  18 -10.242  -0.270   9.440
  133   1HD1  LEU  18          1HD1      LEU  18  -9.743  -2.379  11.536
  134   2HD1  LEU  18          2HD1      LEU  18  -8.832  -2.163  10.042
  135   3HD1  LEU  18          3HD1      LEU  18 -10.530  -2.634   9.979
  136   1HD2  LEU  18          1HD2      LEU  18 -11.592  -0.762  12.091
  137   2HD2  LEU  18          2HD2      LEU  18 -12.311  -0.942  10.491
  138   3HD2  LEU  18          3HD2      LEU  18 -11.843   0.655  11.073
  139    H    GLY  19           H        GLY  19  -5.370  -0.313  10.107
  140   1HA   GLY  19          2HA       GLY  19  -5.035  -2.239  12.221
  141   2HA   GLY  19          1HA       GLY  19  -5.166  -2.981  10.634
  142    H    ASP  20           H        ASP  20  -3.431  -2.985   9.292
  143    HA   ASP  20           HA       ASP  20  -0.879  -2.676  10.349
  144   1HB   ASP  20          2HB       ASP  20  -1.424  -2.479   7.400
  145   2HB   ASP  20          1HB       ASP  20  -0.053  -3.209   8.219
  146    H    LEU  21           H        LEU  21   0.820  -1.333   9.065
  147    HA   LEU  21           HA       LEU  21  -0.017   1.338   8.353
  148   1HB   LEU  21          2HB       LEU  21  -0.008   1.781  10.646
  149   2HB   LEU  21          1HB       LEU  21   1.349   0.715  10.949
  150    HG   LEU  21           HG       LEU  21   2.917   2.298  10.209
  151   1HD1  LEU  21          1HD1      LEU  21   1.806   4.555   9.278
  152   2HD1  LEU  21          2HD1      LEU  21   0.636   3.377   8.684
  153   3HD1  LEU  21          3HD1      LEU  21   2.337   3.232   8.241
  154   1HD2  LEU  21          1HD2      LEU  21   2.214   2.953  12.344
  155   2HD2  LEU  21          2HD2      LEU  21   0.689   3.598  11.736
  156   3HD2  LEU  21          3HD2      LEU  21   2.200   4.436  11.388
  157    H    ILE  22           H        ILE  22   0.970   0.692   6.420
  158    HA   ILE  22           HA       ILE  22   3.749   0.007   6.347
  159    HB   ILE  22           HB       ILE  22   2.771  -1.017   4.597
  160   1HG1  ILE  22          2HG1      ILE  22   4.397   0.662   3.619
  161   2HG1  ILE  22          1HG1      ILE  22   3.225  -0.055   2.522
  162   1HG2  ILE  22          1HG2      ILE  22   0.903  -0.113   3.251
  163   2HG2  ILE  22          2HG2      ILE  22   0.864   1.253   4.360
  164   3HG2  ILE  22          3HG2      ILE  22   0.537  -0.377   4.955
  165   1HD1  ILE  22          1HD1      ILE  22   2.923   2.079   1.885
  166   2HD1  ILE  22          2HD1      ILE  22   3.501   2.729   3.408
  167   3HD1  ILE  22          3HD1      ILE  22   1.858   2.133   3.282
  168    H    CYS  23           H        CYS  23   5.273   1.255   4.909
  169    HA   CYS  23           HA       CYS  23   4.866   4.161   5.261
  170   1HB   CYS  23          2HB       CYS  23   7.652   3.208   5.043
  171   2HB   CYS  23          1HB       CYS  23   6.962   4.436   6.096
  172    H    ALA  24           H        ALA  24   4.058   4.513   3.196
  173    HA   ALA  24           HA       ALA  24   5.504   3.498   0.917
  174   1HB   ALA  24          1HB       ALA  24   3.559   5.353   0.072
  175   2HB   ALA  24          2HB       ALA  24   2.863   4.442   1.412
  176   3HB   ALA  24          3HB       ALA  24   3.496   3.592   0.002
  177    H    VAL  25           H        VAL  25   6.183   4.845  -0.825
  178    HA   VAL  25           HA       VAL  25   6.805   7.632  -0.299
  179    HB   VAL  25           HB       VAL  25   9.065   5.775  -1.004
  180   1HG1  VAL  25          1HG1      VAL  25   9.080   8.548   0.178
  181   2HG1  VAL  25          2HG1      VAL  25   9.239   8.192  -1.542
  182   3HG1  VAL  25          3HG1      VAL  25  10.468   7.631  -0.409
  183   1HG2  VAL  25          1HG2      VAL  25   8.531   4.973   1.124
  184   2HG2  VAL  25          2HG2      VAL  25   8.099   6.574   1.720
  185   3HG2  VAL  25          3HG2      VAL  25   9.789   6.173   1.424
  186    H    ILE  26           H        ILE  26   7.378   8.774  -2.156
  187    HA   ILE  26           HA       ILE  26   7.385   7.304  -4.690
  188    HB   ILE  26           HB       ILE  26   5.958   9.572  -5.352
  189   1HG1  ILE  26          2HG1      ILE  26   5.498   9.852  -2.884
  190   2HG1  ILE  26          1HG1      ILE  26   4.069   9.745  -3.901
  191   1HG2  ILE  26          1HG2      ILE  26   5.804   7.170  -6.147
  192   2HG2  ILE  26          2HG2      ILE  26   4.298   8.085  -6.077
  193   3HG2  ILE  26          3HG2      ILE  26   4.678   6.912  -4.815
  194   1HD1  ILE  26          1HD1      ILE  26   4.985   7.996  -1.753
  195   2HD1  ILE  26          2HD1      ILE  26   4.446   7.140  -3.197
  196   3HD1  ILE  26          3HD1      ILE  26   3.364   8.271  -2.385
  197    H    GLY  27           H        GLY  27   9.576   7.807  -4.747
  198   1HA   GLY  27          2HA       GLY  27  11.357   8.984  -5.608
  199   2HA   GLY  27          1HA       GLY  27  10.220  10.241  -6.080
  200    H    ASP  28           H        ASP  28   9.214  11.258  -3.958
  201    HA   ASP  28           HA       ASP  28  11.078  11.637  -1.809
  202   1HB   ASP  28          2HB       ASP  28  11.342  14.069  -2.159
  203   2HB   ASP  28          1HB       ASP  28  12.063  13.137  -3.469
  204    H    ALA  29           H        ALA  29   8.266  10.823  -2.344
  205    HA   ALA  29           HA       ALA  29   6.976  12.791  -0.562
  206   1HB   ALA  29          1HB       ALA  29   4.845  11.797  -1.876
  207   2HB   ALA  29          2HB       ALA  29   6.060  11.732  -3.155
  208   3HB   ALA  29          3HB       ALA  29   5.698  13.264  -2.358
  209    H    LYS  30           H        LYS  30   7.503  11.496   1.228
  210    HA   LYS  30           HA       LYS  30   6.744   8.745   1.359
  211   1HB   LYS  30          2HB       LYS  30   8.313  10.515   2.897
  212   2HB   LYS  30          1HB       LYS  30   7.029   9.966   3.963
  213   1HG   LYS  30          2HG       LYS  30   7.624   7.640   3.467
  214   2HG   LYS  30          1HG       LYS  30   8.930   8.210   2.427
  215   1HD   LYS  30          2HD       LYS  30   8.776   9.129   5.268
  216   2HD   LYS  30          1HD       LYS  30   9.437   7.537   4.893
  217   1HE   LYS  30          2HE       LYS  30  11.379   8.462   4.347
  218   2HE   LYS  30          1HE       LYS  30  10.583   9.415   3.096
  219   1HZ   LYS  30          1HZ       LYS  30  10.316  11.207   4.518
  220   2HZ   LYS  30          2HZ       LYS  30  11.855  10.636   4.928
  221   3HZ   LYS  30          3HZ       LYS  30  10.531  10.278   5.917
  222    H    GLU  31           H        GLU  31   4.952   7.820   2.296
  223    HA   GLU  31           HA       GLU  31   3.034   9.373   3.770
  224   1HB   GLU  31          2HB       GLU  31   2.618   8.747   0.896
  225   2HB   GLU  31          1HB       GLU  31   1.241   8.525   1.966
  226   1HG   GLU  31          2HG       GLU  31   0.832  10.694   1.934
  227   2HG   GLU  31          1HG       GLU  31   2.447  11.031   2.560
  228    H    GLU  32           H        GLU  32   1.971   8.092   5.162
  229    HA   GLU  32           HA       GLU  32   2.294   5.196   4.845
  230   1HB   GLU  32          2HB       GLU  32   1.592   6.885   7.240
  231   2HB   GLU  32          1HB       GLU  32   1.560   5.129   7.246
  232   1HG   GLU  32          2HG       GLU  32   3.623   5.957   8.212
  233   2HG   GLU  32          1HG       GLU  32   3.940   5.071   6.723
  234    H    HIS  33           H        HIS  33   0.575   3.765   5.140
  235    HA   HIS  33           HA       HIS  33  -2.098   4.717   5.498
  236   1HB   HIS  33          2HB       HIS  33  -2.948   3.942   3.308
  237   2HB   HIS  33          1HB       HIS  33  -1.853   5.313   3.165
  238    HD1  HIS  33           1HD      HIS  33   0.736   4.530   2.575
  239    HD2  HIS  33           2HD      HIS  33  -2.355   1.926   1.618
  240    HE1  HIS  33           1HE      HIS  33   1.678   2.972   0.841
  241    HE2  HIS  33           2HE      HIS  33  -0.248   1.501   0.179
  242    H    ARG  34           H        ARG  34  -3.581   3.048   5.839
  243    HA   ARG  34           HA       ARG  34  -2.357   0.576   6.688
  244   1HB   ARG  34          2HB       ARG  34  -5.307   0.830   6.701
  245   2HB   ARG  34          1HB       ARG  34  -4.224   0.186   7.925
  246   1HG   ARG  34          2HG       ARG  34  -4.788   3.088   7.353
  247   2HG   ARG  34          1HG       ARG  34  -5.284   2.164   8.769
  248   1HD   ARG  34          2HD       ARG  34  -2.389   2.202   8.191
  249   2HD   ARG  34          1HD       ARG  34  -3.102   3.733   8.697
  250    HE   ARG  34           HE       ARG  34  -3.740   1.434  10.343
  251   1HH1  ARG  34          1HH1      ARG  34  -1.659   4.201   9.863
  252   2HH1  ARG  34          2HH1      ARG  34  -1.165   4.271  11.521
  253   1HH2  ARG  34          1HH2      ARG  34  -3.086   1.527  12.520
  254   2HH2  ARG  34          2HH2      ARG  34  -1.972   2.752  13.028
  255    H    ASN  35           H        ASN  35  -4.781   1.548   4.277
  256    HA   ASN  35           HA       ASN  35  -5.049  -1.137   3.284
  257   1HB   ASN  35          2HB       ASN  35  -6.526   1.267   3.055
  258   2HB   ASN  35          1HB       ASN  35  -6.072   0.788   1.423
  259   1HD2  ASN  35          1HD2      ASN  35  -6.878  -1.097   4.310
  260   2HD2  ASN  35          2HD2      ASN  35  -8.173  -1.979   3.583
  261    H    MET  36           H        MET  36  -2.682  -1.302   2.982
  262    HA   MET  36           HA       MET  36  -1.294   0.080   0.988
  263   1HB   MET  36          2HB       MET  36   0.389  -1.160   1.773
  264   2HB   MET  36          1HB       MET  36  -0.767  -1.937   2.842
  265   1HG   MET  36          2HG       MET  36  -1.193  -3.575   0.954
  266   2HG   MET  36          1HG       MET  36   0.233  -2.890   0.175
  267   1HE   MET  36          1HE       MET  36  -1.372  -4.599   2.957
  268   2HE   MET  36          2HE       MET  36  -0.217  -4.277   4.250
  269   3HE   MET  36          3HE       MET  36  -0.219  -5.843   3.440
  270    H    CYS  37           H        CYS  37  -3.797  -2.233   0.708
  271    HA   CYS  37           HA       CYS  37  -2.991  -3.232  -1.858
  272   1HB   CYS  37          2HB       CYS  37  -5.239  -4.275  -1.920
  273   2HB   CYS  37          1HB       CYS  37  -4.337  -4.668  -0.466
  274    H    ALA  38           H        ALA  38  -5.448  -0.943  -0.721
  275    HA   ALA  38           HA       ALA  38  -6.475  -0.233  -3.239
  276   1HB   ALA  38          1HB       ALA  38  -7.414   0.293  -0.918
  277   2HB   ALA  38          2HB       ALA  38  -7.573   1.529  -2.167
  278   3HB   ALA  38          3HB       ALA  38  -6.319   1.676  -0.936
  279    H    LEU  39           H        LEU  39  -3.620   0.738  -1.555
  280    HA   LEU  39           HA       LEU  39  -3.119   3.004  -3.255
  281   1HB   LEU  39          2HB       LEU  39  -2.155   1.969  -0.817
  282   2HB   LEU  39          1HB       LEU  39  -0.781   2.100  -1.888
  283    HG   LEU  39           HG       LEU  39  -2.005   4.519  -2.273
  284   1HD1  LEU  39          1HD1      LEU  39  -2.028   4.819   0.539
  285   2HD1  LEU  39          2HD1      LEU  39  -3.087   3.468   0.136
  286   3HD1  LEU  39          3HD1      LEU  39  -3.353   5.048  -0.601
  287   1HD2  LEU  39          1HD2      LEU  39   0.093   5.095  -1.830
  288   2HD2  LEU  39          2HD2      LEU  39   0.394   3.508  -1.130
  289   3HD2  LEU  39          3HD2      LEU  39  -0.193   4.824  -0.113
  290    H    CYS  40           H        CYS  40  -2.004  -0.322  -2.990
  291    HA   CYS  40           HA       CYS  40  -0.023  -0.060  -5.024
  292   1HB   CYS  40          2HB       CYS  40   0.005  -1.823  -3.227
  293   2HB   CYS  40          1HB       CYS  40  -1.318  -2.618  -4.074
  294    H    CYS  41           H        CYS  41  -3.424  -0.859  -4.939
  295    HA   CYS  41           HA       CYS  41  -3.483  -1.933  -7.595
  296   1HB   CYS  41          2HB       CYS  41  -5.668  -2.363  -7.193
  297   2HB   CYS  41          1HB       CYS  41  -5.150  -2.124  -5.538
  298    H    GLU  42           H        GLU  42  -4.002   1.200  -6.151
  299    HA   GLU  42           HA       GLU  42  -4.814   2.391  -8.679
  300   1HB   GLU  42          2HB       GLU  42  -5.527   2.951  -6.151
  301   2HB   GLU  42          1HB       GLU  42  -4.224   4.115  -6.345
  302   1HG   GLU  42          2HG       GLU  42  -5.532   4.604  -8.607
  303   2HG   GLU  42          1HG       GLU  42  -6.878   3.997  -7.644
  304    H    HIS  43           H        HIS  43  -1.935   2.240  -6.687
  305    HA   HIS  43           HA       HIS  43  -0.614   4.386  -8.099
  306   1HB   HIS  43          2HB       HIS  43   0.260   2.477  -5.945
  307   2HB   HIS  43          1HB       HIS  43   1.379   3.593  -6.713
  308    HD1  HIS  43           1HD      HIS  43  -0.367   6.086  -6.911
  309    HD2  HIS  43           2HD      HIS  43  -0.161   3.685  -3.527
  310    HE1  HIS  43           1HE      HIS  43  -1.111   7.547  -5.008
  311    HE2  HIS  43           2HE      HIS  43  -1.084   6.044  -2.990
  312    HA   PRO  44           HA       PRO  44   1.554   2.254 -11.245
  313   1HB   PRO  44          2HB       PRO  44   4.172   3.287 -10.445
  314   2HB   PRO  44          1HB       PRO  44   3.187   3.707 -11.849
  315   1HG   PRO  44          2HG       PRO  44   3.584   5.422  -9.800
  316   2HG   PRO  44          1HG       PRO  44   2.076   5.389 -10.732
  317   1HD   PRO  44          2HD       PRO  44   2.670   4.192  -8.045
  318   2HD   PRO  44          1HD       PRO  44   1.231   5.086  -8.581
  319    H    GLY  45           H        GLY  45   1.657   0.090 -11.008
  320   1HA   GLY  45          2HA       GLY  45   2.396  -1.986 -10.336
  321   2HA   GLY  45          1HA       GLY  45   3.989  -1.266 -10.517
  322    H    GLY  46           H        GLY  46   1.764   0.009  -8.176
  323   1HA   GLY  46          2HA       GLY  46   1.606  -0.393  -5.877
  324   2HA   GLY  46          1HA       GLY  46   2.917  -1.554  -6.011
  325    H    PHE  47           H        PHE  47   2.059   1.527  -4.984
  326    HA   PHE  47           HA       PHE  47   4.273   3.113  -5.382
  327   1HB   PHE  47          2HB       PHE  47   2.129   2.963  -3.395
  328   2HB   PHE  47          1HB       PHE  47   3.616   3.623  -2.731
  329    HD1  PHE  47           1HD      PHE  47   2.136   5.640  -2.354
  330    HD2  PHE  47           2HD      PHE  47   3.217   4.273  -6.236
  331    HE1  PHE  47           1HE      PHE  47   1.562   7.841  -3.289
  332    HE2  PHE  47           2HE      PHE  47   2.648   6.471  -7.175
  333    HZ   PHE  47           HZ       PHE  47   1.819   8.260  -5.700
  334    H    GLU  48           H        GLU  48   6.058   3.643  -3.889
  335    HA   GLU  48           HA       GLU  48   7.445   1.202  -3.157
  336   1HB   GLU  48          2HB       GLU  48   8.677   3.062  -4.154
  337   2HB   GLU  48          1HB       GLU  48   8.212   4.108  -2.823
  338   1HG   GLU  48          2HG       GLU  48   9.938   3.459  -1.624
  339   2HG   GLU  48          1HG       GLU  48   9.494   1.765  -1.809
  340    H    TYR  49           H        TYR  49   6.188   0.392  -1.424
  341    HA   TYR  49           HA       TYR  49   6.474   1.972   1.039
  342   1HB   TYR  49          2HB       TYR  49   4.543   0.677   1.866
  343   2HB   TYR  49          1HB       TYR  49   4.183   1.862   0.640
  344    HD1  TYR  49           1HD      TYR  49   4.936  -1.755   1.043
  345    HD2  TYR  49           2HD      TYR  49   2.865   1.240  -1.146
  346    HE1  TYR  49           1HE      TYR  49   3.779  -3.501  -0.228
  347    HE2  TYR  49           2HE      TYR  49   1.701  -0.491  -2.429
  348    HH   TYR  49           HH       TYR  49   2.247  -3.019  -3.042
  349    H    SER  50           H        SER  50   6.580   0.796   2.994
  350    HA   SER  50           HA       SER  50   7.571  -1.945   2.818
  351   1HB   SER  50          2HB       SER  50   9.469  -1.364   4.355
  352   2HB   SER  50          1HB       SER  50   9.619  -0.676   2.738
  353    HG   SER  50           HG       SER  50   8.680   0.672   5.054
  354    H    ASN  51           H        ASN  51   5.977  -2.844   3.962
  355    HA   ASN  51           HA       ASN  51   4.388  -1.800   5.891
  356   1HB   ASN  51          2HB       ASN  51   5.441  -4.627   5.904
  357   2HB   ASN  51          1HB       ASN  51   3.978  -4.054   6.698
  358   1HD2  ASN  51          1HD2      ASN  51   5.496  -4.749   3.640
  359   2HD2  ASN  51          2HD2      ASN  51   4.046  -4.788   2.703
  360    H    GLY  52           H        GLY  52   4.457  -1.301   7.961
  361   1HA   GLY  52          2HA       GLY  52   5.659  -2.117  10.132
  362   2HA   GLY  52          1HA       GLY  52   7.062  -1.450   9.311
  363    HA   PRO  53           HA       PRO  53   4.280   1.792  11.649
  364   1HB   PRO  53          2HB       PRO  53   5.771   1.949  13.961
  365   2HB   PRO  53          1HB       PRO  53   4.280   1.017  13.796
  366   1HG   PRO  53          2HG       PRO  53   7.121   0.095  13.644
  367   2HG   PRO  53          1HG       PRO  53   5.729  -0.684  14.419
  368   1HD   PRO  53          2HD       PRO  53   6.654  -1.507  12.037
  369   2HD   PRO  53          1HD       PRO  53   4.918  -1.513  12.410
  370    H    CYS  54           H        CYS  54   4.886   3.613  10.674
  371    HA   CYS  54           HA       CYS  54   7.652   4.545  11.049
  372   1HB   CYS  54          2HB       CYS  54   6.028   4.527   8.509
  373   2HB   CYS  54          1HB       CYS  54   7.424   5.578   8.725
  374    H    GLU  55           H        GLU  55   4.402   5.567   9.994
  375    HA   GLU  55           HA       GLU  55   4.896   8.301  10.754
  376   1HB   GLU  55          2HB       GLU  55   3.458   7.818   8.846
  377   2HB   GLU  55          1HB       GLU  55   2.360   6.907   9.874
  378   1HG   GLU  55          2HG       GLU  55   1.498   8.799  10.862
  379   2HG   GLU  55          1HG       GLU  55   2.926   9.767  10.498
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1   8.892  -5.559  -9.036
    2   2H    ALA   1          2H        ALA   1   8.893  -3.842  -8.991
    3   3H    ALA   1          3H        ALA   1   7.810  -4.678 -10.028
    4    HA   ALA   1           HA       ALA   1   6.458  -4.121  -8.342
    5   1HB   ALA   1          1HB       ALA   1   6.370  -6.229  -6.830
    6   2HB   ALA   1          2HB       ALA   1   7.620  -6.837  -7.913
    7   3HB   ALA   1          3HB       ALA   1   6.044  -6.378  -8.556
    8    H    HIS   2           H        HIS   2   6.102  -4.450  -5.842
    9    HA   HIS   2           HA       HIS   2   8.432  -3.384  -4.406
   10   1HB   HIS   2          2HB       HIS   2   5.830  -2.197  -4.872
   11   2HB   HIS   2          1HB       HIS   2   6.235  -2.285  -3.159
   12    HD1  HIS   2           1HD      HIS   2   6.624  -0.112  -5.918
   13    HD2  HIS   2           2HD      HIS   2   9.112  -1.311  -2.820
   14    HE1  HIS   2           1HE      HIS   2   8.448   1.612  -5.819
   15    HE2  HIS   2           2HE      HIS   2  10.009   0.797  -4.018
   16    H    MET   3           H        MET   3   6.960  -3.181  -2.023
   17    HA   MET   3           HA       MET   3   7.540  -5.742  -0.969
   18   1HB   MET   3          2HB       MET   3   6.700  -3.170   0.059
   19   2HB   MET   3          1HB       MET   3   5.882  -4.478   0.901
   20   1HG   MET   3          2HG       MET   3   7.766  -4.199   2.176
   21   2HG   MET   3          1HG       MET   3   8.257  -5.498   1.090
   22   1HE   MET   3          1HE       MET   3   9.897  -3.315   2.925
   23   2HE   MET   3          2HE       MET   3  11.282  -2.872   1.927
   24   3HE   MET   3          3HE       MET   3  10.849  -4.570   2.130
   25    H    ASP   4           H        ASP   4   5.516  -6.362   0.806
   26    HA   ASP   4           HA       ASP   4   3.860  -7.993  -0.752
   27   1HB   ASP   4          2HB       ASP   4   4.034  -7.272   2.122
   28   2HB   ASP   4          1HB       ASP   4   2.529  -8.002   1.573
   29    H    CYS   5           H        CYS   5   2.124  -7.529  -1.919
   30    HA   CYS   5           HA       CYS   5   0.791  -4.987  -1.650
   31   1HB   CYS   5          2HB       CYS   5   0.317  -7.341  -3.492
   32   2HB   CYS   5          1HB       CYS   5  -0.600  -5.840  -3.564
   33    H    THR   6           H        THR   6  -1.775  -6.656  -2.566
   34    HA   THR   6           HA       THR   6  -3.114  -6.427  -0.109
   35    HB   THR   6           HB       THR   6  -3.850  -7.912  -2.643
   36    HG1  THR   6           1HG      THR   6  -3.771  -5.750  -3.030
   37   1HG2  THR   6          1HG2      THR   6  -5.737  -7.062  -0.468
   38   2HG2  THR   6          2HG2      THR   6  -5.116  -8.705  -0.633
   39   3HG2  THR   6          3HG2      THR   6  -6.097  -8.000  -1.917
   40    H    GLU   7           H        GLU   7  -2.712  -9.458  -1.976
   41    HA   GLU   7           HA       GLU   7  -1.428 -10.926   0.000
   42   1HB   GLU   7          2HB       GLU   7  -4.367 -10.711   0.237
   43   2HB   GLU   7          1HB       GLU   7  -3.672 -12.311   0.460
   44   1HG   GLU   7          2HG       GLU   7  -2.053 -10.629   1.943
   45   2HG   GLU   7          1HG       GLU   7  -3.691 -10.039   2.220
   46    H    PHE   8           H        PHE   8  -3.360 -10.752  -2.888
   47    HA   PHE   8           HA       PHE   8  -2.084 -13.181  -3.840
   48   1HB   PHE   8          2HB       PHE   8  -4.527 -13.977  -4.549
   49   2HB   PHE   8          1HB       PHE   8  -3.824 -14.412  -3.001
   50    HD1  PHE   8           1HD      PHE   8  -5.853 -14.750  -1.831
   51    HD2  PHE   8           2HD      PHE   8  -5.120 -11.055  -3.812
   52    HE1  PHE   8           1HE      PHE   8  -7.778 -13.750  -0.671
   53    HE2  PHE   8           2HE      PHE   8  -7.045 -10.049  -2.654
   54    HZ   PHE   8           HZ       PHE   8  -8.375 -11.398  -1.081
   55    H    ASN   9           H        ASN   9  -3.942 -13.594  -6.027
   56    HA   ASN   9           HA       ASN   9  -2.909 -11.690  -7.851
   57   1HB   ASN   9          2HB       ASN   9  -5.279 -13.460  -8.429
   58   2HB   ASN   9          1HB       ASN   9  -4.028 -12.904  -9.535
   59   1HD2  ASN   9          1HD2      ASN   9  -2.146 -14.028  -9.710
   60   2HD2  ASN   9          2HD2      ASN   9  -1.852 -15.533  -8.913
   61    HA   PRO  10           HA       PRO  10  -7.425  -9.921  -7.851
   62   1HB   PRO  10          2HB       PRO  10  -8.909 -10.503  -5.624
   63   2HB   PRO  10          1HB       PRO  10  -9.034 -11.403  -7.138
   64   1HG   PRO  10          2HG       PRO  10  -7.557 -12.093  -4.639
   65   2HG   PRO  10          1HG       PRO  10  -8.481 -13.146  -5.724
   66   1HD   PRO  10          2HD       PRO  10  -5.778 -13.029  -5.752
   67   2HD   PRO  10          1HD       PRO  10  -6.735 -13.363  -7.207
   68    H    LEU  11           H        LEU  11  -5.748  -8.370  -7.413
   69    HA   LEU  11           HA       LEU  11  -4.633  -7.586  -5.084
   70   1HB   LEU  11          2HB       LEU  11  -4.590  -5.270  -6.056
   71   2HB   LEU  11          1HB       LEU  11  -3.892  -6.555  -7.010
   72    HG   LEU  11           HG       LEU  11  -5.409  -4.726  -8.123
   73   1HD1  LEU  11          1HD1      LEU  11  -6.208  -7.361  -9.115
   74   2HD1  LEU  11          2HD1      LEU  11  -4.471  -7.149  -8.885
   75   3HD1  LEU  11          3HD1      LEU  11  -5.365  -6.041  -9.926
   76   1HD2  LEU  11          1HD2      LEU  11  -7.319  -5.143  -6.591
   77   2HD2  LEU  11          2HD2      LEU  11  -7.487  -6.747  -7.302
   78   3HD2  LEU  11          3HD2      LEU  11  -7.727  -5.312  -8.298
   79    H    CYS  12           H        CYS  12  -5.163  -5.057  -4.474
   80    HA   CYS  12           HA       CYS  12  -6.339  -4.842  -2.265
   81   1HB   CYS  12          2HB       CYS  12  -7.012  -2.609  -2.575
   82   2HB   CYS  12          1HB       CYS  12  -5.670  -2.885  -3.669
   83    H    ARG  13           H        ARG  13  -7.641  -6.838  -2.486
   84    HA   ARG  13           HA       ARG  13 -10.454  -6.317  -3.104
   85   1HB   ARG  13          2HB       ARG  13  -8.778  -8.721  -2.729
   86   2HB   ARG  13          1HB       ARG  13 -10.404  -8.842  -2.071
   87   1HG   ARG  13          2HG       ARG  13  -9.673  -8.185  -4.916
   88   2HG   ARG  13          1HG       ARG  13 -10.337  -9.709  -4.324
   89   1HD   ARG  13          2HD       ARG  13 -11.997  -7.509  -3.502
   90   2HD   ARG  13          1HD       ARG  13 -11.747  -7.467  -5.247
   91    HE   ARG  13           HE       ARG  13 -13.238  -9.423  -3.749
   92   1HH1  ARG  13          1HH1      ARG  13 -11.532  -8.769  -6.724
   93   2HH1  ARG  13          2HH1      ARG  13 -12.381  -9.981  -7.624
   94   1HH2  ARG  13          1HH2      ARG  13 -14.353 -11.022  -4.930
   95   2HH2  ARG  13          2HH2      ARG  13 -13.982 -11.261  -6.606
   96    H    CYS  14           H        CYS  14  -8.968  -5.002  -0.905
   97    HA   CYS  14           HA       CYS  14 -10.588  -5.873   1.352
   98   1HB   CYS  14          2HB       CYS  14  -8.785  -5.729   2.765
   99   2HB   CYS  14          1HB       CYS  14  -7.895  -6.081   1.291
  100    H    ASN  15           H        ASN  15 -10.394  -3.947   2.979
  101    HA   ASN  15           HA       ASN  15 -10.334  -1.316   2.008
  102   1HB   ASN  15          2HB       ASN  15 -12.658  -2.470   1.237
  103   2HB   ASN  15          1HB       ASN  15 -13.125  -1.803   2.795
  104   1HD2  ASN  15          1HD2      ASN  15 -11.105   0.326   2.597
  105   2HD2  ASN  15          2HD2      ASN  15 -11.750   1.481   1.492
  106    H    LYS  16           H        LYS  16 -12.506  -2.929   4.292
  107    HA   LYS  16           HA       LYS  16 -11.875  -1.075   6.374
  108   1HB   LYS  16          2HB       LYS  16 -14.037  -2.402   6.168
  109   2HB   LYS  16          1HB       LYS  16 -13.135  -3.788   6.771
  110   1HG   LYS  16          2HG       LYS  16 -14.090  -2.952   8.694
  111   2HG   LYS  16          1HG       LYS  16 -12.490  -2.207   8.720
  112   1HD   LYS  16          2HD       LYS  16 -14.444  -0.625   7.251
  113   2HD   LYS  16          1HD       LYS  16 -14.901  -0.885   8.937
  114   1HE   LYS  16          2HE       LYS  16 -12.510  -0.181   9.505
  115   2HE   LYS  16          1HE       LYS  16 -12.419   0.406   7.845
  116   1HZ   LYS  16          1HZ       LYS  16 -13.906   2.070   8.251
  117   2HZ   LYS  16          2HZ       LYS  16 -13.180   1.966   9.776
  118   3HZ   LYS  16          3HZ       LYS  16 -14.685   1.243   9.506
  119    H    MET  17           H        MET  17  -9.616  -2.321   5.222
  120    HA   MET  17           HA       MET  17  -8.406  -4.407   6.421
  121   1HB   MET  17          2HB       MET  17  -7.595  -2.728   4.624
  122   2HB   MET  17          1HB       MET  17  -6.938  -1.819   5.978
  123   1HG   MET  17          2HG       MET  17  -5.176  -3.149   5.150
  124   2HG   MET  17          1HG       MET  17  -5.708  -3.916   6.645
  125   1HE   MET  17          1HE       MET  17  -6.369  -7.339   5.842
  126   2HE   MET  17          2HE       MET  17  -7.750  -6.311   6.230
  127   3HE   MET  17          3HE       MET  17  -6.185  -6.010   6.987
  128    H    LEU  18           H        LEU  18  -7.013  -4.669   8.227
  129    HA   LEU  18           HA       LEU  18  -7.966  -3.431  10.598
  130   1HB   LEU  18          2HB       LEU  18  -5.891  -4.655  11.590
  131   2HB   LEU  18          1HB       LEU  18  -7.254  -5.583  10.994
  132    HG   LEU  18           HG       LEU  18  -6.089  -6.211   9.017
  133   1HD1  LEU  18          1HD1      LEU  18  -5.046  -4.010   8.587
  134   2HD1  LEU  18          2HD1      LEU  18  -3.930  -5.359   8.383
  135   3HD1  LEU  18          3HD1      LEU  18  -3.853  -4.363   9.837
  136   1HD2  LEU  18          1HD2      LEU  18  -4.177  -7.396   9.896
  137   2HD2  LEU  18          2HD2      LEU  18  -5.491  -7.430  11.072
  138   3HD2  LEU  18          3HD2      LEU  18  -4.128  -6.335  11.303
  139    H    GLY  19           H        GLY  19  -7.437  -1.234   9.509
  140   1HA   GLY  19          2HA       GLY  19  -5.913   0.543   9.152
  141   2HA   GLY  19          1HA       GLY  19  -6.017   0.439  10.900
  142    H    ASP  20           H        ASP  20  -4.187  -0.936   8.159
  143    HA   ASP  20           HA       ASP  20  -1.988  -1.715   9.774
  144   1HB   ASP  20          2HB       ASP  20  -1.690  -1.193   6.848
  145   2HB   ASP  20          1HB       ASP  20  -0.995  -2.473   7.826
  146    H    LEU  21           H        LEU  21   0.271  -0.909   9.158
  147    HA   LEU  21           HA       LEU  21   0.278   2.013   8.997
  148   1HB   LEU  21          2HB       LEU  21   2.058   2.015  10.651
  149   2HB   LEU  21          1HB       LEU  21   0.608   1.255  11.277
  150    HG   LEU  21           HG       LEU  21   2.836  -0.406  10.150
  151   1HD1  LEU  21          1HD1      LEU  21   2.834   1.153  12.630
  152   2HD1  LEU  21          2HD1      LEU  21   4.173   0.421  11.746
  153   3HD1  LEU  21          3HD1      LEU  21   3.197  -0.560  12.839
  154   1HD2  LEU  21          1HD2      LEU  21   1.242  -1.926  10.555
  155   2HD2  LEU  21          2HD2      LEU  21   0.331  -0.836  11.601
  156   3HD2  LEU  21          3HD2      LEU  21   1.708  -1.730  12.246
  157    H    ILE  22           H        ILE  22   0.611   1.136   6.653
  158    HA   ILE  22           HA       ILE  22   3.272   0.200   6.064
  159    HB   ILE  22           HB       ILE  22   1.670  -0.593   4.541
  160   1HG1  ILE  22          2HG1      ILE  22   3.825   0.660   3.614
  161   2HG1  ILE  22          1HG1      ILE  22   2.661  -0.139   2.565
  162   1HG2  ILE  22          1HG2      ILE  22   0.657   2.211   4.513
  163   2HG2  ILE  22          2HG2      ILE  22  -0.219   0.706   4.798
  164   3HG2  ILE  22          3HG2      ILE  22   0.310   1.126   3.168
  165   1HD1  ILE  22          1HD1      ILE  22   1.792   1.835   1.798
  166   2HD1  ILE  22          2HD1      ILE  22   3.483   2.267   2.037
  167   3HD1  ILE  22          3HD1      ILE  22   2.279   2.734   3.233
  168    H    CYS  23           H        CYS  23   4.900   1.316   5.002
  169    HA   CYS  23           HA       CYS  23   4.687   4.257   5.216
  170   1HB   CYS  23          2HB       CYS  23   6.390   3.294   6.700
  171   2HB   CYS  23          1HB       CYS  23   7.160   2.511   5.325
  172    H    ALA  24           H        ALA  24   3.746   4.422   3.138
  173    HA   ALA  24           HA       ALA  24   5.220   3.411   0.888
  174   1HB   ALA  24          1HB       ALA  24   3.293   4.859  -0.277
  175   2HB   ALA  24          2HB       ALA  24   2.558   4.611   1.308
  176   3HB   ALA  24          3HB       ALA  24   3.041   3.223   0.331
  177    H    VAL  25           H        VAL  25   6.316   4.536  -0.605
  178    HA   VAL  25           HA       VAL  25   6.587   7.432  -0.308
  179    HB   VAL  25           HB       VAL  25   8.480   6.212   0.803
  180   1HG1  VAL  25          1HG1      VAL  25  10.207   5.218  -0.610
  181   2HG1  VAL  25          2HG1      VAL  25   9.182   5.453  -2.025
  182   3HG1  VAL  25          3HG1      VAL  25   8.680   4.348  -0.747
  183   1HG2  VAL  25          1HG2      VAL  25   8.574   8.553  -0.128
  184   2HG2  VAL  25          2HG2      VAL  25   9.374   7.868  -1.542
  185   3HG2  VAL  25          3HG2      VAL  25  10.128   7.739   0.047
  186    H    ILE  26           H        ILE  26   7.089   8.537  -2.186
  187    HA   ILE  26           HA       ILE  26   7.150   6.980  -4.674
  188    HB   ILE  26           HB       ILE  26   5.689   9.306  -5.276
  189   1HG1  ILE  26          2HG1      ILE  26   5.174   9.289  -2.779
  190   2HG1  ILE  26          1HG1      ILE  26   3.784   9.291  -3.858
  191   1HG2  ILE  26          1HG2      ILE  26   4.641   6.495  -5.029
  192   2HG2  ILE  26          2HG2      ILE  26   5.637   7.070  -6.366
  193   3HG2  ILE  26          3HG2      ILE  26   4.046   7.778  -6.085
  194   1HD1  ILE  26          1HD1      ILE  26   4.254   7.561  -1.753
  195   2HD1  ILE  26          2HD1      ILE  26   4.602   6.603  -3.193
  196   3HD1  ILE  26          3HD1      ILE  26   3.032   7.387  -3.012
  197    H    GLY  27           H        GLY  27   9.298   7.469  -4.911
  198   1HA   GLY  27          2HA       GLY  27  11.043   8.629  -5.860
  199   2HA   GLY  27          1HA       GLY  27   9.904   9.913  -6.241
  200    H    ASP  28           H        ASP  28   9.055  10.924  -4.052
  201    HA   ASP  28           HA       ASP  28  11.077  11.245  -2.032
  202   1HB   ASP  28          2HB       ASP  28  10.333  13.608  -3.771
  203   2HB   ASP  28          1HB       ASP  28  11.376  13.654  -2.352
  204    H    ALA  29           H        ALA  29   8.208  10.479  -2.396
  205    HA   ALA  29           HA       ALA  29   7.081  12.406  -0.463
  206   1HB   ALA  29          1HB       ALA  29   6.103  11.777  -3.057
  207   2HB   ALA  29          2HB       ALA  29   5.407  12.857  -1.849
  208   3HB   ALA  29          3HB       ALA  29   4.960  11.151  -1.869
  209    H    LYS  30           H        LYS  30   7.815  11.008   1.215
  210    HA   LYS  30           HA       LYS  30   6.600   8.358   1.320
  211   1HB   LYS  30          2HB       LYS  30   8.045   7.976   3.260
  212   2HB   LYS  30          1HB       LYS  30   8.974   8.524   1.871
  213   1HG   LYS  30          2HG       LYS  30   9.259  10.681   2.792
  214   2HG   LYS  30          1HG       LYS  30   8.051  10.382   4.044
  215   1HD   LYS  30          2HD       LYS  30  10.277  10.231   4.991
  216   2HD   LYS  30          1HD       LYS  30   9.509   8.642   5.002
  217   1HE   LYS  30          2HE       LYS  30  11.296   7.846   3.948
  218   2HE   LYS  30          1HE       LYS  30  10.833   8.808   2.546
  219   1HZ   LYS  30          1HZ       LYS  30  12.416   9.991   4.738
  220   2HZ   LYS  30          2HZ       LYS  30  12.285  10.500   3.130
  221   3HZ   LYS  30          3HZ       LYS  30  13.168   9.107   3.507
  222    H    GLU  31           H        GLU  31   4.958   7.822   2.624
  223    HA   GLU  31           HA       GLU  31   4.242   9.404   4.923
  224   1HB   GLU  31          2HB       GLU  31   1.908   9.802   4.093
  225   2HB   GLU  31          1HB       GLU  31   3.145  10.748   3.278
  226   1HG   GLU  31          2HG       GLU  31   2.637   9.881   1.302
  227   2HG   GLU  31          1HG       GLU  31   2.671   8.234   1.933
  228    H    GLU  32           H        GLU  32   2.308   8.457   6.045
  229    HA   GLU  32           HA       GLU  32   2.509   5.567   5.948
  230   1HB   GLU  32          2HB       GLU  32   0.829   7.256   7.800
  231   2HB   GLU  32          1HB       GLU  32   1.283   5.570   8.019
  232   1HG   GLU  32          2HG       GLU  32   3.519   6.119   8.472
  233   2HG   GLU  32          1HG       GLU  32   3.325   7.761   7.861
  234    H    HIS  33           H        HIS  33   0.729   4.154   5.770
  235    HA   HIS  33           HA       HIS  33  -1.787   5.253   4.793
  236   1HB   HIS  33          2HB       HIS  33   0.075   4.517   2.945
  237   2HB   HIS  33          1HB       HIS  33  -0.792   3.001   3.165
  238    HD1  HIS  33           1HD      HIS  33  -3.445   3.139   2.723
  239    HD2  HIS  33           2HD      HIS  33  -1.177   6.330   1.332
  240    HE1  HIS  33           1HE      HIS  33  -4.908   4.327   1.059
  241    HE2  HIS  33           2HE      HIS  33  -3.547   6.304   0.295
  242    H    ARG  34           H        ARG  34  -3.542   3.828   4.972
  243    HA   ARG  34           HA       ARG  34  -3.054   1.589   6.805
  244   1HB   ARG  34          2HB       ARG  34  -5.173   3.571   6.493
  245   2HB   ARG  34          1HB       ARG  34  -5.794   1.935   6.656
  246   1HG   ARG  34          2HG       ARG  34  -5.700   2.491   8.847
  247   2HG   ARG  34          1HG       ARG  34  -4.055   1.884   8.659
  248   1HD   ARG  34          2HD       ARG  34  -4.525   4.751   8.071
  249   2HD   ARG  34          1HD       ARG  34  -4.601   4.250   9.759
  250    HE   ARG  34           HE       ARG  34  -2.279   3.166   8.690
  251   1HH1  ARG  34          1HH1      ARG  34  -3.612   6.330   9.322
  252   2HH1  ARG  34          2HH1      ARG  34  -2.066   7.075   9.550
  253   1HH2  ARG  34          1HH2      ARG  34  -0.243   4.144   8.993
  254   2HH2  ARG  34          2HH2      ARG  34  -0.154   5.834   9.365
  255    H    ASN  35           H        ASN  35  -5.063   2.391   3.964
  256    HA   ASN  35           HA       ASN  35  -5.690  -0.380   3.502
  257   1HB   ASN  35          2HB       ASN  35  -6.221   2.059   1.792
  258   2HB   ASN  35          1HB       ASN  35  -6.882   0.451   1.507
  259   1HD2  ASN  35          1HD2      ASN  35  -7.498  -0.299   4.099
  260   2HD2  ASN  35          2HD2      ASN  35  -8.769   0.709   4.691
  261    H    MET  36           H        MET  36  -3.204  -0.649   3.530
  262    HA   MET  36           HA       MET  36  -1.529   0.005   1.465
  263   1HB   MET  36          2HB       MET  36  -0.639  -1.082   3.366
  264   2HB   MET  36          1HB       MET  36  -1.726  -2.450   3.194
  265   1HG   MET  36          2HG       MET  36  -0.512  -2.972   1.034
  266   2HG   MET  36          1HG       MET  36   0.680  -1.774   1.530
  267   1HE   MET  36          1HE       MET  36  -0.277  -5.543   4.005
  268   2HE   MET  36          2HE       MET  36  -1.305  -4.871   2.740
  269   3HE   MET  36          3HE       MET  36  -1.127  -4.021   4.276
  270    H    CYS  37           H        CYS  37  -4.201  -2.233   1.425
  271    HA   CYS  37           HA       CYS  37  -3.399  -3.735  -0.831
  272   1HB   CYS  37          2HB       CYS  37  -6.305  -3.243  -0.437
  273   2HB   CYS  37          1HB       CYS  37  -5.458  -4.744  -0.761
  274    H    ALA  38           H        ALA  38  -5.859  -1.183  -0.629
  275    HA   ALA  38           HA       ALA  38  -6.262  -0.790  -3.326
  276   1HB   ALA  38          1HB       ALA  38  -7.265   0.354  -1.118
  277   2HB   ALA  38          2HB       ALA  38  -7.488   1.015  -2.737
  278   3HB   ALA  38          3HB       ALA  38  -6.229   1.664  -1.686
  279    H    LEU  39           H        LEU  39  -3.493   0.029  -1.450
  280    HA   LEU  39           HA       LEU  39  -2.482   2.054  -3.193
  281   1HB   LEU  39          2HB       LEU  39  -1.922   1.481  -0.722
  282   2HB   LEU  39          1HB       LEU  39  -0.756   0.387  -1.426
  283    HG   LEU  39           HG       LEU  39   0.380   2.210  -2.532
  284   1HD1  LEU  39          1HD1      LEU  39  -1.187   3.767  -3.162
  285   2HD1  LEU  39          2HD1      LEU  39  -0.407   4.580  -1.805
  286   3HD1  LEU  39          3HD1      LEU  39  -1.966   3.785  -1.580
  287   1HD2  LEU  39          1HD2      LEU  39   0.732   3.659  -0.310
  288   2HD2  LEU  39          2HD2      LEU  39   1.419   2.049  -0.535
  289   3HD2  LEU  39          3HD2      LEU  39  -0.073   2.251   0.383
  290    H    CYS  40           H        CYS  40  -1.609  -1.351  -2.674
  291    HA   CYS  40           HA       CYS  40   0.305  -1.347  -4.766
  292   1HB   CYS  40          2HB       CYS  40  -0.445  -3.145  -2.756
  293   2HB   CYS  40          1HB       CYS  40  -0.764  -3.988  -4.269
  294    H    CYS  41           H        CYS  41  -3.104  -1.640  -4.661
  295    HA   CYS  41           HA       CYS  41  -3.229  -2.843  -7.307
  296   1HB   CYS  41          2HB       CYS  41  -5.315  -3.449  -6.789
  297   2HB   CYS  41          1HB       CYS  41  -4.815  -3.118  -5.149
  298    H    GLU  42           H        GLU  42  -3.865   0.207  -5.707
  299    HA   GLU  42           HA       GLU  42  -4.708   1.417  -8.242
  300   1HB   GLU  42          2HB       GLU  42  -5.961   1.665  -6.001
  301   2HB   GLU  42          1HB       GLU  42  -4.706   2.829  -5.598
  302   1HG   GLU  42          2HG       GLU  42  -5.307   4.000  -7.769
  303   2HG   GLU  42          1HG       GLU  42  -6.738   2.970  -7.799
  304    H    HIS  43           H        HIS  43  -1.776   0.879  -7.213
  305    HA   HIS  43           HA       HIS  43  -0.711   3.559  -7.148
  306   1HB   HIS  43          2HB       HIS  43   1.505   2.423  -7.195
  307   2HB   HIS  43          1HB       HIS  43   0.458   1.893  -5.888
  308    HD1  HIS  43           1HD      HIS  43  -0.063   0.469  -9.314
  309    HD2  HIS  43           2HD      HIS  43   1.791  -0.546  -5.736
  310    HE1  HIS  43           1HE      HIS  43   0.542  -1.960  -9.538
  311    HE2  HIS  43           2HE      HIS  43   1.734  -2.533  -7.395
  312    HA   PRO  44           HA       PRO  44   0.062   4.300 -11.400
  313   1HB   PRO  44          2HB       PRO  44   2.905   4.898 -10.961
  314   2HB   PRO  44          1HB       PRO  44   1.594   5.977 -11.447
  315   1HG   PRO  44          2HG       PRO  44   2.721   6.115  -9.005
  316   2HG   PRO  44          1HG       PRO  44   1.002   6.458  -9.272
  317   1HD   PRO  44          2HD       PRO  44   2.296   3.974  -8.200
  318   2HD   PRO  44          1HD       PRO  44   0.823   4.802  -7.649
  319    H    GLY  45           H        GLY  45   3.257   3.095 -10.418
  320   1HA   GLY  45          2HA       GLY  45   2.905   0.824 -12.256
  321   2HA   GLY  45          1HA       GLY  45   4.324   1.853 -12.401
  322    H    GLY  46           H        GLY  46   3.208   1.484  -9.215
  323   1HA   GLY  46          2HA       GLY  46   3.828  -0.650  -7.964
  324   2HA   GLY  46          1HA       GLY  46   5.413  -0.393  -8.678
  325    H    PHE  47           H        PHE  47   2.982   1.206  -6.640
  326    HA   PHE  47           HA       PHE  47   4.577   3.239  -5.614
  327   1HB   PHE  47          2HB       PHE  47   2.046   1.990  -4.940
  328   2HB   PHE  47          1HB       PHE  47   2.938   2.420  -3.489
  329    HD1  PHE  47           1HD      PHE  47   3.255   4.336  -6.595
  330    HD2  PHE  47           2HD      PHE  47   1.363   4.080  -2.794
  331    HE1  PHE  47           1HE      PHE  47   2.481   6.660  -6.832
  332    HE2  PHE  47           2HE      PHE  47   0.588   6.405  -3.020
  333    HZ   PHE  47           HZ       PHE  47   1.144   7.698  -5.042
  334    H    GLU  48           H        GLU  48   5.980   3.390  -3.896
  335    HA   GLU  48           HA       GLU  48   7.104   0.841  -2.994
  336   1HB   GLU  48          2HB       GLU  48   8.602   2.669  -3.809
  337   2HB   GLU  48          1HB       GLU  48   8.058   3.664  -2.470
  338   1HG   GLU  48          2HG       GLU  48   9.163   2.389  -0.895
  339   2HG   GLU  48          1HG       GLU  48   9.257   0.981  -1.952
  340    H    TYR  49           H        TYR  49   7.052   0.119  -0.934
  341    HA   TYR  49           HA       TYR  49   6.165   1.853   1.209
  342   1HB   TYR  49          2HB       TYR  49   4.342   0.360   1.899
  343   2HB   TYR  49          1HB       TYR  49   3.997   1.283   0.455
  344    HD1  TYR  49           1HD      TYR  49   3.908   0.151  -1.720
  345    HD2  TYR  49           2HD      TYR  49   4.507  -1.984   1.901
  346    HE1  TYR  49           1HE      TYR  49   3.310  -1.928  -2.851
  347    HE2  TYR  49           2HE      TYR  49   3.918  -4.077   0.789
  348    HH   TYR  49           HH       TYR  49   3.760  -4.396  -2.542
  349    H    SER  50           H        SER  50   6.175   0.868   3.241
  350    HA   SER  50           HA       SER  50   7.600  -1.665   3.470
  351   1HB   SER  50          2HB       SER  50   8.683   0.437   5.220
  352   2HB   SER  50          1HB       SER  50   9.515  -0.849   4.347
  353    HG   SER  50           HG       SER  50   8.561   1.591   3.258
  354    H    ASN  51           H        ASN  51   5.883  -2.597   4.465
  355    HA   ASN  51           HA       ASN  51   4.103  -1.533   6.224
  356   1HB   ASN  51          2HB       ASN  51   5.140  -4.312   6.671
  357   2HB   ASN  51          1HB       ASN  51   3.507  -3.689   6.882
  358   1HD2  ASN  51          1HD2      ASN  51   3.560  -2.247   4.332
  359   2HD2  ASN  51          2HD2      ASN  51   3.401  -3.447   3.102
  360    H    GLY  52           H        GLY  52   4.004  -0.966   8.268
  361   1HA   GLY  52          2HA       GLY  52   4.629  -1.144  10.575
  362   2HA   GLY  52          1HA       GLY  52   6.228  -1.663  10.067
  363    HA   PRO  53           HA       PRO  53   6.407   2.828  11.349
  364   1HB   PRO  53          2HB       PRO  53   8.758   2.548  12.717
  365   2HB   PRO  53          1HB       PRO  53   7.165   2.339  13.453
  366   1HG   PRO  53          2HG       PRO  53   9.069   0.264  12.437
  367   2HG   PRO  53          1HG       PRO  53   8.102   0.264  13.925
  368   1HD   PRO  53          2HD       PRO  53   7.359  -1.132  11.749
  369   2HD   PRO  53          1HD       PRO  53   6.168  -0.358  12.814
  370    H    CYS  54           H        CYS  54   7.569   4.379  10.314
  371    HA   CYS  54           HA       CYS  54  10.145   4.222   9.327
  372   1HB   CYS  54          2HB       CYS  54   9.798   2.613   7.732
  373   2HB   CYS  54          1HB       CYS  54   8.095   3.003   7.552
  374    H    GLU  55           H        GLU  55   6.877   5.408   8.759
  375    HA   GLU  55           HA       GLU  55   8.017   8.035   8.060
  376   1HB   GLU  55          2HB       GLU  55   6.008   6.471   6.762
  377   2HB   GLU  55          1HB       GLU  55   5.262   7.942   7.372
  378   1HG   GLU  55          2HG       GLU  55   7.743   7.885   5.672
  379   2HG   GLU  55          1HG       GLU  55   6.110   8.104   5.044
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   3.932  -2.076  -4.373
    2   2H    ALA   1          2H        ALA   1   4.871  -1.487  -5.678
    3   3H    ALA   1          3H        ALA   1   3.877  -0.413  -4.780
    4    HA   ALA   1           HA       ALA   1   5.852   0.035  -3.868
    5   1HB   ALA   1          1HB       ALA   1   4.922  -2.362  -2.303
    6   2HB   ALA   1          2HB       ALA   1   4.323  -0.713  -2.122
    7   3HB   ALA   1          3HB       ALA   1   5.997  -1.092  -1.717
    8    H    HIS   2           H        HIS   2   7.784  -1.171  -2.582
    9    HA   HIS   2           HA       HIS   2   9.077  -2.726  -4.669
   10   1HB   HIS   2          2HB       HIS   2  10.003  -0.663  -3.000
   11   2HB   HIS   2          1HB       HIS   2  10.831  -2.116  -2.457
   12    HD1  HIS   2           1HD      HIS   2  10.054  -0.640  -5.889
   13    HD2  HIS   2           2HD      HIS   2  13.185  -2.331  -3.743
   14    HE1  HIS   2           1HE      HIS   2  12.018  -0.647  -7.459
   15    HE2  HIS   2           2HE      HIS   2  13.871  -1.770  -6.172
   16    H    MET   3           H        MET   3   7.116  -3.839  -3.087
   17    HA   MET   3           HA       MET   3   8.460  -6.261  -2.323
   18   1HB   MET   3          2HB       MET   3   7.402  -4.413  -0.232
   19   2HB   MET   3          1HB       MET   3   7.194  -6.140   0.011
   20   1HG   MET   3          2HG       MET   3   9.804  -4.701  -0.392
   21   2HG   MET   3          1HG       MET   3   9.186  -5.357   1.121
   22   1HE   MET   3          1HE       MET   3  11.787  -5.530  -0.483
   23   2HE   MET   3          2HE       MET   3  11.718  -6.605  -1.879
   24   3HE   MET   3          3HE       MET   3  12.361  -7.192  -0.346
   25    H    ASP   4           H        ASP   4   5.561  -5.863  -0.564
   26    HA   ASP   4           HA       ASP   4   4.183  -7.729  -2.241
   27   1HB   ASP   4          2HB       ASP   4   4.070  -7.528   0.331
   28   2HB   ASP   4          1HB       ASP   4   2.950  -6.199   0.046
   29    H    CYS   5           H        CYS   5   2.288  -7.385  -3.443
   30    HA   CYS   5           HA       CYS   5   1.123  -4.770  -3.605
   31   1HB   CYS   5          2HB       CYS   5   3.339  -4.991  -5.106
   32   2HB   CYS   5          1HB       CYS   5   2.164  -5.640  -6.243
   33    H    THR   6           H        THR   6  -0.943  -4.829  -4.292
   34    HA   THR   6           HA       THR   6  -2.308  -7.251  -4.575
   35    HB   THR   6           HB       THR   6  -3.952  -5.498  -5.864
   36    HG1  THR   6           1HG      THR   6  -3.105  -3.594  -5.761
   37   1HG2  THR   6          1HG2      THR   6  -4.381  -4.711  -3.309
   38   2HG2  THR   6          2HG2      THR   6  -3.532  -6.239  -3.068
   39   3HG2  THR   6          3HG2      THR   6  -5.011  -6.192  -4.029
   40    H    GLU   7           H        GLU   7  -0.877  -5.085  -7.056
   41    HA   GLU   7           HA       GLU   7  -1.757  -5.542  -9.419
   42   1HB   GLU   7          2HB       GLU   7   0.692  -4.934  -8.592
   43   2HB   GLU   7          1HB       GLU   7   1.030  -6.550  -9.197
   44   1HG   GLU   7          2HG       GLU   7  -0.471  -5.365 -11.204
   45   2HG   GLU   7          1HG       GLU   7   0.601  -4.085 -10.638
   46    H    PHE   8           H        PHE   8  -3.225  -7.320  -9.337
   47    HA   PHE   8           HA       PHE   8  -2.173  -9.656 -10.619
   48   1HB   PHE   8          2HB       PHE   8  -2.183  -9.807  -7.884
   49   2HB   PHE   8          1HB       PHE   8  -3.765 -10.471  -8.275
   50    HD1  PHE   8           1HD      PHE   8  -3.907 -12.733  -8.623
   51    HD2  PHE   8           2HD      PHE   8  -0.221 -10.757  -9.405
   52    HE1  PHE   8           1HE      PHE   8  -2.863 -14.898  -9.151
   53    HE2  PHE   8           2HE      PHE   8   0.830 -12.918  -9.936
   54    HZ   PHE   8           HZ       PHE   8  -0.492 -14.992  -9.810
   55    H    ASN   9           H        ASN   9  -4.584 -11.246  -9.891
   56    HA   ASN   9           HA       ASN   9  -6.332 -10.165 -11.859
   57   1HB   ASN   9          2HB       ASN   9  -6.131 -12.614 -10.307
   58   2HB   ASN   9          1HB       ASN   9  -7.799 -12.067 -10.439
   59   1HD2  ASN   9          1HD2      ASN   9  -5.401 -13.826 -11.889
   60   2HD2  ASN   9          2HD2      ASN   9  -6.047 -13.910 -13.489
   61    HA   PRO  10           HA       PRO  10  -9.106  -8.850  -8.266
   62   1HB   PRO  10          2HB       PRO  10  -8.874  -9.866  -5.830
   63   2HB   PRO  10          1HB       PRO  10  -9.473 -10.871  -7.157
   64   1HG   PRO  10          2HG       PRO  10  -6.794 -10.854  -5.853
   65   2HG   PRO  10          1HG       PRO  10  -7.713 -12.216  -6.514
   66   1HD   PRO  10          2HD       PRO  10  -5.632 -10.785  -7.796
   67   2HD   PRO  10          1HD       PRO  10  -6.708 -11.988  -8.529
   68    H    LEU  11           H        LEU  11  -7.660  -6.921  -8.667
   69    HA   LEU  11           HA       LEU  11  -5.581  -6.123  -7.020
   70   1HB   LEU  11          2HB       LEU  11  -7.684  -4.470  -8.407
   71   2HB   LEU  11          1HB       LEU  11  -6.284  -3.775  -7.612
   72    HG   LEU  11           HG       LEU  11  -5.599  -5.861  -9.548
   73   1HD1  LEU  11          1HD1      LEU  11  -5.972  -3.926 -11.360
   74   2HD1  LEU  11          2HD1      LEU  11  -7.371  -3.633 -10.326
   75   3HD1  LEU  11          3HD1      LEU  11  -7.139  -5.216 -11.067
   76   1HD2  LEU  11          1HD2      LEU  11  -4.209  -4.000  -8.294
   77   2HD2  LEU  11          2HD2      LEU  11  -4.674  -3.042  -9.699
   78   3HD2  LEU  11          3HD2      LEU  11  -3.773  -4.543  -9.914
   79    H    CYS  12           H        CYS  12  -5.761  -4.087  -5.552
   80    HA   CYS  12           HA       CYS  12  -6.344  -4.534  -3.112
   81   1HB   CYS  12          2HB       CYS  12  -6.985  -2.270  -2.665
   82   2HB   CYS  12          1HB       CYS  12  -5.760  -2.301  -3.922
   83    H    ARG  13           H        ARG  13  -7.902  -6.318  -3.591
   84    HA   ARG  13           HA       ARG  13 -10.710  -5.498  -3.384
   85   1HB   ARG  13          2HB       ARG  13  -9.806  -7.473  -4.834
   86   2HB   ARG  13          1HB       ARG  13  -9.744  -8.347  -3.310
   87   1HG   ARG  13          2HG       ARG  13 -11.844  -8.932  -3.762
   88   2HG   ARG  13          1HG       ARG  13 -12.266  -7.290  -3.269
   89   1HD   ARG  13          2HD       ARG  13 -11.833  -8.346  -6.050
   90   2HD   ARG  13          1HD       ARG  13 -13.299  -7.643  -5.369
   91    HE   ARG  13           HE       ARG  13 -11.205  -5.756  -5.281
   92   1HH1  ARG  13          1HH1      ARG  13 -13.335  -7.336  -7.550
   93   2HH1  ARG  13          2HH1      ARG  13 -13.306  -6.025  -8.681
   94   1HH2  ARG  13          1HH2      ARG  13 -11.168  -4.030  -6.765
   95   2HH2  ARG  13          2HH2      ARG  13 -12.075  -4.148  -8.236
   96    H    CYS  14           H        CYS  14  -9.105  -4.704  -1.327
   97    HA   CYS  14           HA       CYS  14 -10.233  -6.161   0.924
   98   1HB   CYS  14          2HB       CYS  14  -7.735  -5.682   1.879
   99   2HB   CYS  14          1HB       CYS  14  -8.244  -7.215   1.181
  100    H    ASN  15           H        ASN  15 -11.264  -4.671   2.078
  101    HA   ASN  15           HA       ASN  15 -10.099  -1.965   2.276
  102   1HB   ASN  15          2HB       ASN  15 -12.706  -2.826   1.602
  103   2HB   ASN  15          1HB       ASN  15 -12.809  -1.979   3.125
  104   1HD2  ASN  15          1HD2      ASN  15 -10.729  -0.183   2.807
  105   2HD2  ASN  15          2HD2      ASN  15 -11.159   0.960   1.584
  106    H    LYS  16           H        LYS  16 -11.662  -4.594   3.963
  107    HA   LYS  16           HA       LYS  16 -11.855  -3.400   6.495
  108   1HB   LYS  16          2HB       LYS  16 -13.018  -5.480   5.957
  109   2HB   LYS  16          1HB       LYS  16 -11.480  -6.318   5.791
  110   1HG   LYS  16          2HG       LYS  16 -11.441  -6.770   7.957
  111   2HG   LYS  16          1HG       LYS  16 -11.596  -5.059   8.356
  112   1HD   LYS  16          2HD       LYS  16 -13.782  -5.253   8.832
  113   2HD   LYS  16          1HD       LYS  16 -14.088  -6.289   7.437
  114   1HE   LYS  16          2HE       LYS  16 -12.611  -7.909   9.097
  115   2HE   LYS  16          1HE       LYS  16 -13.605  -6.992  10.227
  116   1HZ   LYS  16          1HZ       LYS  16 -14.789  -8.295   7.855
  117   2HZ   LYS  16          2HZ       LYS  16 -15.555  -7.794   9.278
  118   3HZ   LYS  16          3HZ       LYS  16 -14.545  -9.151   9.294
  119    H    MET  17           H        MET  17  -9.558  -2.432   5.736
  120    HA   MET  17           HA       MET  17  -7.135  -3.489   6.005
  121   1HB   MET  17          2HB       MET  17  -6.394  -1.397   7.116
  122   2HB   MET  17          1HB       MET  17  -7.451  -1.114   5.742
  123   1HG   MET  17          2HG       MET  17  -8.860  -1.318   8.291
  124   2HG   MET  17          1HG       MET  17  -7.717   0.020   8.206
  125   1HE   MET  17          1HE       MET  17  -8.708   2.350   5.785
  126   2HE   MET  17          2HE       MET  17  -7.829   1.874   7.238
  127   3HE   MET  17          3HE       MET  17  -9.446   2.564   7.372
  128    H    LEU  18           H        LEU  18  -6.180  -4.851   7.329
  129    HA   LEU  18           HA       LEU  18  -7.266  -5.393   9.941
  130   1HB   LEU  18          2HB       LEU  18  -4.983  -6.866   9.872
  131   2HB   LEU  18          1HB       LEU  18  -6.539  -7.405   9.275
  132    HG   LEU  18           HG       LEU  18  -4.626  -6.003   7.439
  133   1HD1  LEU  18          1HD1      LEU  18  -3.245  -7.706   8.310
  134   2HD1  LEU  18          2HD1      LEU  18  -3.864  -8.310   6.774
  135   3HD1  LEU  18          3HD1      LEU  18  -4.558  -8.883   8.291
  136   1HD2  LEU  18          1HD2      LEU  18  -6.486  -8.242   6.759
  137   2HD2  LEU  18          2HD2      LEU  18  -5.880  -6.936   5.738
  138   3HD2  LEU  18          3HD2      LEU  18  -7.110  -6.605   6.958
  139    H    GLY  19           H        GLY  19  -6.731  -2.984  10.369
  140   1HA   GLY  19          2HA       GLY  19  -5.465  -1.403  11.469
  141   2HA   GLY  19          1HA       GLY  19  -5.011  -2.766  12.477
  142    H    ASP  20           H        ASP  20  -4.154  -2.576   9.086
  143    HA   ASP  20           HA       ASP  20  -1.382  -2.882   9.705
  144   1HB   ASP  20          2HB       ASP  20  -2.366  -2.152   6.971
  145   2HB   ASP  20          1HB       ASP  20  -1.060  -3.230   7.434
  146    H    LEU  21           H        LEU  21   0.205  -1.461   8.371
  147    HA   LEU  21           HA       LEU  21  -0.503   1.310   8.112
  148   1HB   LEU  21          2HB       LEU  21  -0.225   1.279  10.497
  149   2HB   LEU  21          1HB       LEU  21   1.289   0.406  10.360
  150    HG   LEU  21           HG       LEU  21   2.428   2.314   9.516
  151   1HD1  LEU  21          1HD1      LEU  21  -0.279   3.200   8.832
  152   2HD1  LEU  21          2HD1      LEU  21   1.263   3.544   8.048
  153   3HD1  LEU  21          3HD1      LEU  21   0.767   4.470   9.465
  154   1HD2  LEU  21          1HD2      LEU  21   2.494   2.697  11.743
  155   2HD2  LEU  21          2HD2      LEU  21   0.739   2.646  11.915
  156   3HD2  LEU  21          3HD2      LEU  21   1.523   4.099  11.295
  157    H    ILE  22           H        ILE  22   0.281   1.099   6.030
  158    HA   ILE  22           HA       ILE  22   3.073   0.324   5.668
  159    HB   ILE  22           HB       ILE  22   1.672  -0.730   4.093
  160   1HG1  ILE  22          2HG1      ILE  22   3.754   0.738   3.288
  161   2HG1  ILE  22          1HG1      ILE  22   2.804  -0.260   2.193
  162   1HG2  ILE  22          1HG2      ILE  22   0.383   1.946   3.837
  163   2HG2  ILE  22          2HG2      ILE  22  -0.356   0.371   4.127
  164   3HG2  ILE  22          3HG2      ILE  22   0.263   0.774   2.527
  165   1HD1  ILE  22          1HD1      ILE  22   3.301   2.052   1.382
  166   2HD1  ILE  22          2HD1      ILE  22   2.252   2.657   2.661
  167   3HD1  ILE  22          3HD1      ILE  22   1.593   1.620   1.398
  168    H    CYS  23           H        CYS  23   4.623   1.635   4.765
  169    HA   CYS  23           HA       CYS  23   3.950   4.506   4.683
  170   1HB   CYS  23          2HB       CYS  23   5.660   3.752   6.395
  171   2HB   CYS  23          1HB       CYS  23   6.707   3.323   5.047
  172    H    ALA  24           H        ALA  24   3.219   4.329   2.524
  173    HA   ALA  24           HA       ALA  24   4.971   3.338   0.482
  174   1HB   ALA  24          1HB       ALA  24   2.817   4.967  -0.527
  175   2HB   ALA  24          2HB       ALA  24   2.252   3.816   0.680
  176   3HB   ALA  24          3HB       ALA  24   3.125   3.243  -0.737
  177    H    VAL  25           H        VAL  25   6.301   4.397  -0.803
  178    HA   VAL  25           HA       VAL  25   6.334   7.325  -0.707
  179    HB   VAL  25           HB       VAL  25   8.165   6.315   0.663
  180   1HG1  VAL  25          1HG1      VAL  25   9.959   5.146  -0.306
  181   2HG1  VAL  25          2HG1      VAL  25   9.412   5.506  -1.944
  182   3HG1  VAL  25          3HG1      VAL  25   8.502   4.380  -0.938
  183   1HG2  VAL  25          1HG2      VAL  25   9.171   7.849  -1.725
  184   2HG2  VAL  25          2HG2      VAL  25   9.847   7.833  -0.096
  185   3HG2  VAL  25          3HG2      VAL  25   8.275   8.576  -0.391
  186    H    ILE  26           H        ILE  26   6.941   8.380  -2.554
  187    HA   ILE  26           HA       ILE  26   7.235   6.751  -4.987
  188    HB   ILE  26           HB       ILE  26   6.011   9.022  -5.907
  189   1HG1  ILE  26          2HG1      ILE  26   5.492   9.572  -3.475
  190   2HG1  ILE  26          1HG1      ILE  26   4.123   9.566  -4.579
  191   1HG2  ILE  26          1HG2      ILE  26   4.024   7.015  -5.405
  192   2HG2  ILE  26          2HG2      ILE  26   5.549   6.265  -5.874
  193   3HG2  ILE  26          3HG2      ILE  26   4.803   7.473  -6.919
  194   1HD1  ILE  26          1HD1      ILE  26   3.274   8.462  -2.760
  195   2HD1  ILE  26          2HD1      ILE  26   4.802   7.668  -2.387
  196   3HD1  ILE  26          3HD1      ILE  26   3.829   7.114  -3.749
  197    H    GLY  27           H        GLY  27   9.453   7.126  -4.954
  198   1HA   GLY  27          2HA       GLY  27  11.342   8.179  -5.741
  199   2HA   GLY  27          1HA       GLY  27  10.312   9.498  -6.283
  200    H    ASP  28           H        ASP  28   9.265  10.612  -4.221
  201    HA   ASP  28           HA       ASP  28  11.088  10.905  -2.013
  202   1HB   ASP  28          2HB       ASP  28  11.485  13.305  -2.351
  203   2HB   ASP  28          1HB       ASP  28  12.142  12.360  -3.685
  204    H    ALA  29           H        ALA  29   8.212  10.277  -2.683
  205    HA   ALA  29           HA       ALA  29   7.020  12.238  -0.822
  206   1HB   ALA  29          1HB       ALA  29   5.746  12.888  -2.546
  207   2HB   ALA  29          2HB       ALA  29   4.872  11.381  -2.274
  208   3HB   ALA  29          3HB       ALA  29   6.138  11.457  -3.499
  209    H    LYS  30           H        LYS  30   7.325  10.879   0.949
  210    HA   LYS  30           HA       LYS  30   6.082   8.240   0.857
  211   1HB   LYS  30          2HB       LYS  30   7.225   7.784   2.935
  212   2HB   LYS  30          1HB       LYS  30   8.366   8.453   1.777
  213   1HG   LYS  30          2HG       LYS  30   7.890  10.705   2.906
  214   2HG   LYS  30          1HG       LYS  30   7.181   9.743   4.205
  215   1HD   LYS  30          2HD       LYS  30  10.001   9.499   3.156
  216   2HD   LYS  30          1HD       LYS  30   9.523  10.272   4.669
  217   1HE   LYS  30          2HE       LYS  30   8.364   7.855   4.972
  218   2HE   LYS  30          1HE       LYS  30   9.757   7.413   3.985
  219   1HZ   LYS  30          1HZ       LYS  30   9.844   8.876   6.568
  220   2HZ   LYS  30          2HZ       LYS  30  11.189   8.505   5.614
  221   3HZ   LYS  30          3HZ       LYS  30  10.287   7.263   6.322
  222    H    GLU  31           H        GLU  31   4.491   7.567   2.271
  223    HA   GLU  31           HA       GLU  31   3.325   9.372   4.191
  224   1HB   GLU  31          2HB       GLU  31   1.824   8.612   1.680
  225   2HB   GLU  31          1HB       GLU  31   1.053   9.263   3.118
  226   1HG   GLU  31          2HG       GLU  31   2.426  11.295   2.902
  227   2HG   GLU  31          1HG       GLU  31   3.119  10.642   1.418
  228    H    GLU  32           H        GLU  32   1.431   8.320   5.312
  229    HA   GLU  32           HA       GLU  32   1.916   5.426   5.437
  230   1HB   GLU  32          2HB       GLU  32   1.140   7.460   7.450
  231   2HB   GLU  32          1HB       GLU  32   0.456   5.851   7.638
  232   1HG   GLU  32          2HG       GLU  32   2.679   4.882   7.681
  233   2HG   GLU  32          1HG       GLU  32   3.396   6.471   7.432
  234    H    HIS  33           H        HIS  33   0.304   3.955   5.327
  235    HA   HIS  33           HA       HIS  33  -2.458   4.829   5.087
  236   1HB   HIS  33          2HB       HIS  33  -1.643   2.990   2.917
  237   2HB   HIS  33          1HB       HIS  33  -2.818   4.300   2.903
  238    HD1  HIS  33           1HD      HIS  33   0.981   4.066   3.144
  239    HD2  HIS  33           2HD      HIS  33  -1.992   6.281   1.286
  240    HE1  HIS  33           1HE      HIS  33   2.181   5.709   1.672
  241    HE2  HIS  33           2HE      HIS  33   0.366   7.106   0.630
  242    H    ARG  34           H        ARG  34  -3.913   3.281   5.679
  243    HA   ARG  34           HA       ARG  34  -2.857   0.983   7.059
  244   1HB   ARG  34          2HB       ARG  34  -5.471   2.332   6.838
  245   2HB   ARG  34          1HB       ARG  34  -5.524   0.605   7.160
  246   1HG   ARG  34          2HG       ARG  34  -3.605   1.986   8.845
  247   2HG   ARG  34          1HG       ARG  34  -5.247   2.607   9.032
  248   1HD   ARG  34          2HD       ARG  34  -6.080   0.414   9.539
  249   2HD   ARG  34          1HD       ARG  34  -4.523  -0.316   9.155
  250    HE   ARG  34           HE       ARG  34  -3.732   0.326  11.219
  251   1HH1  ARG  34          1HH1      ARG  34  -6.813   1.858  10.623
  252   2HH1  ARG  34          2HH1      ARG  34  -6.993   2.412  12.252
  253   1HH2  ARG  34          1HH2      ARG  34  -3.969   1.056  13.362
  254   2HH2  ARG  34          2HH2      ARG  34  -5.379   1.959  13.807
  255    H    ASN  35           H        ASN  35  -5.171   1.424   4.368
  256    HA   ASN  35           HA       ASN  35  -5.159  -1.395   3.788
  257   1HB   ASN  35          2HB       ASN  35  -6.648   0.956   2.881
  258   2HB   ASN  35          1HB       ASN  35  -6.292  -0.180   1.587
  259   1HD2  ASN  35          1HD2      ASN  35  -8.377   0.568   4.078
  260   2HD2  ASN  35          2HD2      ASN  35  -9.211  -0.939   4.187
  261    H    MET  36           H        MET  36  -2.780  -1.319   3.668
  262    HA   MET  36           HA       MET  36  -1.244  -0.114   1.749
  263   1HB   MET  36          2HB       MET  36  -0.324  -1.434   3.555
  264   2HB   MET  36          1HB       MET  36  -1.034  -2.895   2.892
  265   1HG   MET  36          2HG       MET  36   0.553  -1.759   0.857
  266   2HG   MET  36          1HG       MET  36   1.503  -1.714   2.341
  267   1HE   MET  36          1HE       MET  36  -0.376  -5.571   0.653
  268   2HE   MET  36          2HE       MET  36  -0.835  -3.930   0.197
  269   3HE   MET  36          3HE       MET  36  -1.249  -4.549   1.796
  270    H    CYS  37           H        CYS  37  -3.539  -2.699   1.337
  271    HA   CYS  37           HA       CYS  37  -2.493  -3.452  -1.238
  272   1HB   CYS  37          2HB       CYS  37  -4.227  -5.050  -1.359
  273   2HB   CYS  37          1HB       CYS  37  -3.725  -5.020   0.323
  274    H    ALA  38           H        ALA  38  -5.071  -1.417   0.003
  275    HA   ALA  38           HA       ALA  38  -6.251  -0.826  -2.514
  276   1HB   ALA  38          1HB       ALA  38  -7.352  -0.466  -0.295
  277   2HB   ALA  38          2HB       ALA  38  -7.446   0.910  -1.394
  278   3HB   ALA  38          3HB       ALA  38  -6.287   0.920  -0.066
  279    H    LEU  39           H        LEU  39  -3.348   0.095  -1.058
  280    HA   LEU  39           HA       LEU  39  -3.067   2.593  -2.474
  281   1HB   LEU  39          2HB       LEU  39  -1.928   1.517  -0.242
  282   2HB   LEU  39          1HB       LEU  39  -0.657   1.292  -1.419
  283    HG   LEU  39           HG       LEU  39  -0.828   3.730  -1.960
  284   1HD1  LEU  39          1HD1      LEU  39  -2.012   5.209  -0.585
  285   2HD1  LEU  39          2HD1      LEU  39  -2.340   3.961   0.617
  286   3HD1  LEU  39          3HD1      LEU  39  -3.148   3.911  -0.949
  287   1HD2  LEU  39          1HD2      LEU  39   0.540   4.394  -0.149
  288   2HD2  LEU  39          2HD2      LEU  39   0.861   2.686  -0.438
  289   3HD2  LEU  39          3HD2      LEU  39  -0.159   3.173   0.914
  290    H    CYS  40           H        CYS  40  -1.579  -0.602  -2.564
  291    HA   CYS  40           HA       CYS  40   0.090  -0.175  -4.735
  292   1HB   CYS  40          2HB       CYS  40  -0.804  -2.418  -3.193
  293   2HB   CYS  40          1HB       CYS  40  -0.795  -2.851  -4.901
  294    H    CYS  41           H        CYS  41  -3.352  -0.842  -4.621
  295    HA   CYS  41           HA       CYS  41  -3.492  -1.343  -7.467
  296   1HB   CYS  41          2HB       CYS  41  -5.632  -1.967  -7.085
  297   2HB   CYS  41          1HB       CYS  41  -5.035  -2.114  -5.449
  298    H    GLU  42           H        GLU  42  -3.991   1.304  -5.270
  299    HA   GLU  42           HA       GLU  42  -4.986   3.032  -7.414
  300   1HB   GLU  42          2HB       GLU  42  -5.689   2.851  -4.804
  301   2HB   GLU  42          1HB       GLU  42  -4.562   4.199  -4.744
  302   1HG   GLU  42          2HG       GLU  42  -6.770   4.133  -6.759
  303   2HG   GLU  42          1HG       GLU  42  -7.062   4.673  -5.106
  304    H    HIS  43           H        HIS  43  -1.975   2.170  -6.553
  305    HA   HIS  43           HA       HIS  43  -0.888   4.880  -6.986
  306   1HB   HIS  43          2HB       HIS  43  -0.131   2.756  -5.118
  307   2HB   HIS  43          1HB       HIS  43   1.227   3.437  -5.997
  308    HD1  HIS  43           1HD      HIS  43   1.992   5.762  -5.332
  309    HD2  HIS  43           2HD      HIS  43  -1.603   4.672  -3.559
  310    HE1  HIS  43           1HE      HIS  43   1.500   7.563  -3.650
  311    HE2  HIS  43           2HE      HIS  43  -0.732   6.936  -2.664
  312    HA   PRO  44           HA       PRO  44   1.454   4.043 -10.573
  313   1HB   PRO  44          2HB       PRO  44   3.963   3.587  -9.012
  314   2HB   PRO  44          1HB       PRO  44   3.682   4.634 -10.409
  315   1HG   PRO  44          2HG       PRO  44   3.850   5.686  -7.982
  316   2HG   PRO  44          1HG       PRO  44   2.634   6.277  -9.130
  317   1HD   PRO  44          2HD       PRO  44   2.299   4.474  -6.768
  318   2HD   PRO  44          1HD       PRO  44   1.212   5.740  -7.374
  319    H    GLY  45           H        GLY  45   3.190   2.431 -11.550
  320   1HA   GLY  45          2HA       GLY  45   2.124  -0.083 -11.654
  321   2HA   GLY  45          1HA       GLY  45   3.813   0.257 -11.998
  322    H    GLY  46           H        GLY  46   4.149   1.205  -9.151
  323   1HA   GLY  46          2HA       GLY  46   3.609  -0.441  -7.135
  324   2HA   GLY  46          1HA       GLY  46   4.736  -1.428  -8.054
  325    H    PHE  47           H        PHE  47   4.637   2.046  -7.294
  326    HA   PHE  47           HA       PHE  47   7.251   2.622  -7.096
  327   1HB   PHE  47          2HB       PHE  47   6.672   4.319  -5.353
  328   2HB   PHE  47          1HB       PHE  47   5.638   4.350  -6.770
  329    HD1  PHE  47           1HD      PHE  47   5.068   5.593  -4.093
  330    HD2  PHE  47           2HD      PHE  47   4.022   1.788  -5.687
  331    HE1  PHE  47           1HE      PHE  47   3.094   5.525  -2.644
  332    HE2  PHE  47           2HE      PHE  47   2.051   1.721  -4.245
  333    HZ   PHE  47           HZ       PHE  47   1.577   3.595  -2.730
  334    H    GLU  48           H        GLU  48   6.361   2.901  -3.786
  335    HA   GLU  48           HA       GLU  48   7.475   0.356  -3.002
  336   1HB   GLU  48          2HB       GLU  48   9.341   1.642  -1.683
  337   2HB   GLU  48          1HB       GLU  48   9.591   1.170  -3.357
  338   1HG   GLU  48          2HG       GLU  48   8.437   3.843  -2.860
  339   2HG   GLU  48          1HG       GLU  48  10.135   3.601  -2.456
  340    H    TYR  49           H        TYR  49   7.414  -0.027  -0.761
  341    HA   TYR  49           HA       TYR  49   6.072   1.995   0.897
  342   1HB   TYR  49          2HB       TYR  49   4.466   0.500   1.722
  343   2HB   TYR  49          1HB       TYR  49   4.322   0.508  -0.010
  344    HD1  TYR  49           1HD      TYR  49   3.231  -1.524  -0.371
  345    HD2  TYR  49           2HD      TYR  49   6.745  -1.481   2.025
  346    HE1  TYR  49           1HE      TYR  49   3.223  -3.979  -0.302
  347    HE2  TYR  49           2HE      TYR  49   6.752  -3.921   2.084
  348    HH   TYR  49           HH       TYR  49   4.642  -5.764   1.784
  349    H    SER  50           H        SER  50   5.847   1.156   3.141
  350    HA   SER  50           HA       SER  50   8.071  -0.502   4.000
  351   1HB   SER  50          2HB       SER  50   7.955   1.916   5.604
  352   2HB   SER  50          1HB       SER  50   9.345   1.110   4.882
  353    HG   SER  50           HG       SER  50   8.984   2.217   2.985
  354    H    ASN  51           H        ASN  51   6.301  -1.821   4.528
  355    HA   ASN  51           HA       ASN  51   4.142  -1.125   6.097
  356   1HB   ASN  51          2HB       ASN  51   5.529  -3.796   6.053
  357   2HB   ASN  51          1HB       ASN  51   3.911  -3.479   6.667
  358   1HD2  ASN  51          1HD2      ASN  51   3.043  -4.956   5.190
  359   2HD2  ASN  51          2HD2      ASN  51   2.861  -4.560   3.518
  360    H    GLY  52           H        GLY  52   3.802  -0.709   8.078
  361   1HA   GLY  52          2HA       GLY  52   4.206  -1.198  10.453
  362   2HA   GLY  52          1HA       GLY  52   5.921  -1.241  10.072
  363    HA   PRO  53           HA       PRO  53   4.873   2.949  11.877
  364   1HB   PRO  53          2HB       PRO  53   7.295   3.118  13.188
  365   2HB   PRO  53          1HB       PRO  53   5.809   2.496  13.910
  366   1HG   PRO  53          2HG       PRO  53   8.107   1.001  12.717
  367   2HG   PRO  53          1HG       PRO  53   7.163   0.633  14.173
  368   1HD   PRO  53          2HD       PRO  53   6.754  -0.673  11.865
  369   2HD   PRO  53          1HD       PRO  53   5.411  -0.276  12.956
  370    H    CYS  54           H        CYS  54   5.559   4.882  11.046
  371    HA   CYS  54           HA       CYS  54   8.117   5.288   9.887
  372   1HB   CYS  54          2HB       CYS  54   7.213   3.850   8.134
  373   2HB   CYS  54          1HB       CYS  54   5.806   4.893   7.977
  374    H    GLU  55           H        GLU  55   4.967   6.462   8.722
  375    HA   GLU  55           HA       GLU  55   5.805   9.188   9.134
  376   1HB   GLU  55          2HB       GLU  55   4.318   8.189   7.225
  377   2HB   GLU  55          1HB       GLU  55   3.010   8.415   8.378
  378   1HG   GLU  55          2HG       GLU  55   4.283  10.831   8.468
  379   2HG   GLU  55          1HG       GLU  55   4.467  10.370   6.776
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1  12.873   0.412  -5.070
    2   2H    ALA   1          2H        ALA   1  11.671   1.136  -4.082
    3   3H    ALA   1          3H        ALA   1  12.084   1.840  -5.593
    4    HA   ALA   1           HA       ALA   1  10.114   0.779  -5.976
    5   1HB   ALA   1          1HB       ALA   1  12.285  -1.151  -6.784
    6   2HB   ALA   1          2HB       ALA   1  11.866   0.330  -7.645
    7   3HB   ALA   1          3HB       ALA   1  10.696  -0.985  -7.531
    8    H    HIS   2           H        HIS   2   9.619   0.383  -3.583
    9    HA   HIS   2           HA       HIS   2   9.792  -2.447  -2.864
   10   1HB   HIS   2          2HB       HIS   2   8.679  -0.209  -1.171
   11   2HB   HIS   2          1HB       HIS   2   9.221  -1.797  -0.638
   12    HD1  HIS   2           1HD      HIS   2  10.293   1.570  -0.630
   13    HD2  HIS   2           2HD      HIS   2  12.191  -2.062  -1.323
   14    HE1  HIS   2           1HE      HIS   2  12.743   2.015  -0.281
   15    HE2  HIS   2           2HE      HIS   2  13.866  -0.212  -0.644
   16    H    MET   3           H        MET   3   8.237  -2.511  -4.856
   17    HA   MET   3           HA       MET   3   5.471  -1.943  -4.237
   18   1HB   MET   3          2HB       MET   3   4.995  -2.798  -6.455
   19   2HB   MET   3          1HB       MET   3   6.358  -1.690  -6.530
   20   1HG   MET   3          2HG       MET   3   7.905  -3.501  -6.716
   21   2HG   MET   3          1HG       MET   3   6.630  -4.682  -6.424
   22   1HE   MET   3          1HE       MET   3   7.173  -1.531  -8.446
   23   2HE   MET   3          2HE       MET   3   6.821  -1.971 -10.116
   24   3HE   MET   3          3HE       MET   3   8.348  -2.457  -9.380
   25    H    ASP   4           H        ASP   4   3.945  -3.347  -3.559
   26    HA   ASP   4           HA       ASP   4   4.290  -6.198  -3.727
   27   1HB   ASP   4          2HB       ASP   4   4.276  -4.878  -1.002
   28   2HB   ASP   4          1HB       ASP   4   4.183  -6.611  -1.299
   29    H    CYS   5           H        CYS   5   2.305  -5.711  -4.943
   30    HA   CYS   5           HA       CYS   5  -0.014  -4.805  -3.494
   31   1HB   CYS   5          2HB       CYS   5   0.553  -4.586  -6.052
   32   2HB   CYS   5          1HB       CYS   5  -0.145  -6.194  -6.154
   33    H    THR   6           H        THR   6  -2.081  -6.456  -4.183
   34    HA   THR   6           HA       THR   6  -1.829  -8.535  -2.327
   35    HB   THR   6           HB       THR   6  -4.019  -7.728  -2.769
   36    HG1  THR   6           1HG      THR   6  -5.039  -9.594  -2.986
   37   1HG2  THR   6          1HG2      THR   6  -4.574  -8.633  -5.416
   38   2HG2  THR   6          2HG2      THR   6  -3.209  -7.517  -5.445
   39   3HG2  THR   6          3HG2      THR   6  -4.742  -7.018  -4.728
   40    H    GLU   7           H        GLU   7  -3.237 -10.165  -5.010
   41    HA   GLU   7           HA       GLU   7  -1.021 -10.977  -6.461
   42   1HB   GLU   7          2HB       GLU   7  -0.085 -12.770  -5.397
   43   2HB   GLU   7          1HB       GLU   7  -0.517 -11.795  -4.006
   44   1HG   GLU   7          2HG       GLU   7  -1.497 -13.617  -3.213
   45   2HG   GLU   7          1HG       GLU   7  -2.767 -13.321  -4.397
   46    H    PHE   8           H        PHE   8  -3.970 -10.546  -6.539
   47    HA   PHE   8           HA       PHE   8  -4.586 -12.984  -8.054
   48   1HB   PHE   8          2HB       PHE   8  -6.717 -11.759  -6.333
   49   2HB   PHE   8          1HB       PHE   8  -6.651 -13.372  -7.033
   50    HD1  PHE   8           1HD      PHE   8  -5.173 -15.086  -6.035
   51    HD2  PHE   8           2HD      PHE   8  -5.780 -11.288  -4.215
   52    HE1  PHE   8           1HE      PHE   8  -4.302 -15.970  -3.910
   53    HE2  PHE   8           2HE      PHE   8  -4.909 -12.164  -2.086
   54    HZ   PHE   8           HZ       PHE   8  -4.168 -14.507  -1.932
   55    H    ASN   9           H        ASN   9  -7.094 -12.465  -8.879
   56    HA   ASN   9           HA       ASN   9  -6.698 -10.470 -10.864
   57   1HB   ASN   9          2HB       ASN   9  -8.617 -12.560 -10.298
   58   2HB   ASN   9          1HB       ASN   9  -9.443 -11.080 -10.778
   59   1HD2  ASN   9          1HD2      ASN   9  -6.848 -13.279 -11.722
   60   2HD2  ASN   9          2HD2      ASN   9  -7.030 -13.046 -13.424
   61    HA   PRO  10           HA       PRO  10  -9.971  -7.981  -8.355
   62   1HB   PRO  10          2HB       PRO  10 -10.549  -8.783  -5.836
   63   2HB   PRO  10          1HB       PRO  10 -11.422  -9.386  -7.250
   64   1HG   PRO  10          2HG       PRO  10  -9.218 -10.673  -5.692
   65   2HG   PRO  10          1HG       PRO  10 -10.695 -11.398  -6.351
   66   1HD   PRO  10          2HD       PRO  10  -8.260 -11.613  -7.547
   67   2HD   PRO  10          1HD       PRO  10  -9.788 -11.639  -8.446
   68    H    LEU  11           H        LEU  11  -7.969  -6.764  -8.469
   69    HA   LEU  11           HA       LEU  11  -5.974  -6.676  -6.537
   70   1HB   LEU  11          2HB       LEU  11  -5.691  -4.270  -7.292
   71   2HB   LEU  11          1HB       LEU  11  -5.537  -5.518  -8.507
   72    HG   LEU  11           HG       LEU  11  -6.880  -3.315  -8.989
   73   1HD1  LEU  11          1HD1      LEU  11  -8.548  -5.255 -10.151
   74   2HD1  LEU  11          2HD1      LEU  11  -6.948  -5.981 -10.005
   75   3HD1  LEU  11          3HD1      LEU  11  -7.147  -4.453 -10.862
   76   1HD2  LEU  11          1HD2      LEU  11  -9.065  -5.041  -7.839
   77   2HD2  LEU  11          2HD2      LEU  11  -9.229  -3.447  -8.573
   78   3HD2  LEU  11          3HD2      LEU  11  -8.390  -3.626  -7.033
   79    H    CYS  12           H        CYS  12  -5.737  -4.224  -5.524
   80    HA   CYS  12           HA       CYS  12  -6.390  -4.097  -3.078
   81   1HB   CYS  12          2HB       CYS  12  -6.749  -1.718  -3.100
   82   2HB   CYS  12          1HB       CYS  12  -5.546  -2.142  -4.308
   83    H    ARG  13           H        ARG  13  -8.151  -5.731  -3.201
   84    HA   ARG  13           HA       ARG  13 -10.828  -4.507  -3.196
   85   1HB   ARG  13          2HB       ARG  13 -10.440  -6.618  -4.507
   86   2HB   ARG  13          1HB       ARG  13 -10.103  -7.438  -2.988
   87   1HG   ARG  13          2HG       ARG  13 -12.294  -7.975  -3.211
   88   2HG   ARG  13          1HG       ARG  13 -12.473  -6.445  -2.351
   89   1HD   ARG  13          2HD       ARG  13 -12.338  -6.343  -5.311
   90   2HD   ARG  13          1HD       ARG  13 -13.807  -6.996  -4.588
   91    HE   ARG  13           HE       ARG  13 -13.049  -4.272  -4.699
   92   1HH1  ARG  13          1HH1      ARG  13 -14.597  -6.605  -2.617
   93   2HH1  ARG  13          2HH1      ARG  13 -15.557  -5.421  -1.795
   94   1HH2  ARG  13          1HH2      ARG  13 -14.311  -2.713  -3.619
   95   2HH2  ARG  13          2HH2      ARG  13 -15.396  -3.212  -2.364
   96    H    CYS  14           H        CYS  14  -9.142  -3.741  -1.195
   97    HA   CYS  14           HA       CYS  14 -10.430  -4.917   1.152
   98   1HB   CYS  14          2HB       CYS  14  -7.779  -4.267   1.908
   99   2HB   CYS  14          1HB       CYS  14  -8.531  -5.856   1.860
  100    H    ASN  15           H        ASN  15 -11.577  -3.254   1.916
  101    HA   ASN  15           HA       ASN  15 -10.531  -0.530   1.791
  102   1HB   ASN  15          2HB       ASN  15 -13.123  -1.716   1.797
  103   2HB   ASN  15          1HB       ASN  15 -13.007  -0.661   3.194
  104   1HD2  ASN  15          1HD2      ASN  15 -12.131   1.535   2.754
  105   2HD2  ASN  15          2HD2      ASN  15 -12.635   2.313   1.295
  106    H    LYS  16           H        LYS  16 -11.566  -2.910   4.133
  107    HA   LYS  16           HA       LYS  16 -11.699  -1.953   6.509
  108   1HB   LYS  16          2HB       LYS  16 -11.397  -4.342   6.093
  109   2HB   LYS  16          1HB       LYS  16  -9.675  -4.090   5.849
  110   1HG   LYS  16          2HG       LYS  16  -9.561  -4.721   8.003
  111   2HG   LYS  16          1HG       LYS  16  -9.946  -3.026   8.301
  112   1HD   LYS  16          2HD       LYS  16 -11.401  -4.351   9.656
  113   2HD   LYS  16          1HD       LYS  16 -12.364  -3.666   8.346
  114   1HE   LYS  16          2HE       LYS  16 -12.908  -5.688   7.580
  115   2HE   LYS  16          1HE       LYS  16 -11.230  -6.226   7.613
  116   1HZ   LYS  16          1HZ       LYS  16 -11.537  -6.555  10.061
  117   2HZ   LYS  16          2HZ       LYS  16 -12.428  -7.607   9.084
  118   3HZ   LYS  16          3HZ       LYS  16 -13.194  -6.298   9.831
  119    H    MET  17           H        MET  17 -10.653   0.193   5.810
  120    HA   MET  17           HA       MET  17  -7.874   0.567   6.156
  121   1HB   MET  17          2HB       MET  17  -8.592   2.966   6.713
  122   2HB   MET  17          1HB       MET  17  -8.884   2.334   5.104
  123   1HG   MET  17          2HG       MET  17 -11.203   1.990   5.589
  124   2HG   MET  17          1HG       MET  17 -10.950   2.397   7.286
  125   1HE   MET  17          1HE       MET  17 -10.006   6.210   7.002
  126   2HE   MET  17          2HE       MET  17  -8.793   5.007   6.563
  127   3HE   MET  17          3HE       MET  17  -9.841   4.736   7.956
  128    H    LEU  18           H        LEU  18  -7.905  -0.932   8.045
  129    HA   LEU  18           HA       LEU  18  -7.196   0.487  10.362
  130   1HB   LEU  18          2HB       LEU  18  -9.081   0.586  11.532
  131   2HB   LEU  18          1HB       LEU  18  -9.947  -0.088  10.170
  132    HG   LEU  18           HG       LEU  18  -8.617  -1.959  12.086
  133   1HD1  LEU  18          1HD1      LEU  18 -10.079  -0.058  13.204
  134   2HD1  LEU  18          2HD1      LEU  18 -10.158  -1.735  13.743
  135   3HD1  LEU  18          3HD1      LEU  18 -11.396  -1.097  12.660
  136   1HD2  LEU  18          1HD2      LEU  18  -9.672  -3.393  10.749
  137   2HD2  LEU  18          2HD2      LEU  18 -10.500  -2.081   9.910
  138   3HD2  LEU  18          3HD2      LEU  18 -11.198  -2.769  11.375
  139    H    GLY  19           H        GLY  19  -5.379  -0.634  10.715
  140   1HA   GLY  19          2HA       GLY  19  -5.136  -3.013  11.942
  141   2HA   GLY  19          1HA       GLY  19  -5.305  -3.499  10.264
  142    H    ASP  20           H        ASP  20  -3.504  -3.655   9.089
  143    HA   ASP  20           HA       ASP  20  -0.967  -3.325  10.199
  144   1HB   ASP  20          2HB       ASP  20  -1.438  -3.268   7.233
  145   2HB   ASP  20          1HB       ASP  20  -0.098  -3.971   8.120
  146    H    LEU  21           H        LEU  21   0.768  -2.037   8.916
  147    HA   LEU  21           HA       LEU  21  -0.098   0.641   8.191
  148   1HB   LEU  21          2HB       LEU  21   0.427   1.565  10.135
  149   2HB   LEU  21          1HB       LEU  21   0.750  -0.024  10.786
  150    HG   LEU  21           HG       LEU  21   3.129   0.216  10.090
  151   1HD1  LEU  21          1HD1      LEU  21   3.033   3.106   9.838
  152   2HD1  LEU  21          2HD1      LEU  21   2.193   2.286   8.524
  153   3HD1  LEU  21          3HD1      LEU  21   3.883   1.912   8.857
  154   1HD2  LEU  21          1HD2      LEU  21   3.640   2.032  11.794
  155   2HD2  LEU  21          2HD2      LEU  21   2.683   0.658  12.348
  156   3HD2  LEU  21          3HD2      LEU  21   1.894   2.191  11.981
  157    H    ILE  22           H        ILE  22   0.720   0.593   6.199
  158    HA   ILE  22           HA       ILE  22   3.398  -0.406   5.702
  159    HB   ILE  22           HB       ILE  22   1.990  -0.999   3.938
  160   1HG1  ILE  22          2HG1      ILE  22   4.071   0.433   3.271
  161   2HG1  ILE  22          1HG1      ILE  22   2.901  -0.080   2.065
  162   1HG2  ILE  22          1HG2      ILE  22   0.841   1.753   4.097
  163   2HG2  ILE  22          2HG2      ILE  22   0.041   0.222   4.456
  164   3HG2  ILE  22          3HG2      ILE  22   0.485   0.621   2.796
  165   1HD1  ILE  22          1HD1      ILE  22   3.740   2.394   2.157
  166   2HD1  ILE  22          2HD1      ILE  22   2.493   2.551   3.387
  167   3HD1  ILE  22          3HD1      ILE  22   2.069   2.020   1.761
  168    H    CYS  23           H        CYS  23   5.010   0.911   4.631
  169    HA   CYS  23           HA       CYS  23   4.675   3.780   5.246
  170   1HB   CYS  23          2HB       CYS  23   7.156   3.862   5.593
  171   2HB   CYS  23          1HB       CYS  23   6.278   2.942   6.808
  172    H    ALA  24           H        ALA  24   4.024   4.380   3.252
  173    HA   ALA  24           HA       ALA  24   5.367   3.428   0.913
  174   1HB   ALA  24          1HB       ALA  24   3.899   5.407  -0.084
  175   2HB   ALA  24          2HB       ALA  24   3.074   5.218   1.463
  176   3HB   ALA  24          3HB       ALA  24   3.209   3.846   0.362
  177    H    VAL  25           H        VAL  25   6.298   4.795  -0.688
  178    HA   VAL  25           HA       VAL  25   7.349   7.373   0.006
  179    HB   VAL  25           HB       VAL  25   9.284   5.077  -0.378
  180   1HG1  VAL  25          1HG1      VAL  25   9.621   8.042  -0.118
  181   2HG1  VAL  25          2HG1      VAL  25  10.309   6.944  -1.313
  182   3HG1  VAL  25          3HG1      VAL  25  10.916   6.936   0.343
  183   1HG2  VAL  25          1HG2      VAL  25  10.000   5.643   1.958
  184   2HG2  VAL  25          2HG2      VAL  25   8.406   4.898   1.830
  185   3HG2  VAL  25          3HG2      VAL  25   8.549   6.637   2.091
  186    H    ILE  26           H        ILE  26   8.021   8.462  -1.767
  187    HA   ILE  26           HA       ILE  26   8.502   7.183  -4.280
  188    HB   ILE  26           HB       ILE  26   5.904   7.320  -3.847
  189   1HG1  ILE  26          2HG1      ILE  26   5.494   7.316  -6.175
  190   2HG1  ILE  26          1HG1      ILE  26   6.918   8.287  -6.508
  191   1HG2  ILE  26          1HG2      ILE  26   6.321   9.895  -3.524
  192   2HG2  ILE  26          2HG2      ILE  26   4.826   9.260  -4.202
  193   3HG2  ILE  26          3HG2      ILE  26   6.080   9.898  -5.265
  194   1HD1  ILE  26          1HD1      ILE  26   7.128   5.548  -5.314
  195   2HD1  ILE  26          2HD1      ILE  26   8.364   6.484  -6.153
  196   3HD1  ILE  26          3HD1      ILE  26   7.011   5.800  -7.055
  197    H    GLY  27           H        GLY  27   8.407   9.088  -6.024
  198   1HA   GLY  27          2HA       GLY  27  10.535  10.642  -5.907
  199   2HA   GLY  27          1HA       GLY  27   9.067  11.245  -6.655
  200    H    ASP  28           H        ASP  28   7.530  11.469  -4.277
  201    HA   ASP  28           HA       ASP  28   8.938  13.130  -2.408
  202   1HB   ASP  28          2HB       ASP  28   8.103  14.437  -4.671
  203   2HB   ASP  28          1HB       ASP  28   6.730  14.670  -3.593
  204    H    ALA  29           H        ALA  29   7.307  10.726  -2.385
  205    HA   ALA  29           HA       ALA  29   5.187  11.687  -0.576
  206   1HB   ALA  29          1HB       ALA  29   4.677   9.259  -2.220
  207   2HB   ALA  29          2HB       ALA  29   4.493  10.843  -2.975
  208   3HB   ALA  29          3HB       ALA  29   3.540  10.429  -1.551
  209    H    LYS  30           H        LYS  30   6.661  11.181   1.131
  210    HA   LYS  30           HA       LYS  30   6.990   8.289   1.590
  211   1HB   LYS  30          2HB       LYS  30   8.821   9.067   3.216
  212   2HB   LYS  30          1HB       LYS  30   9.169   9.148   1.494
  213   1HG   LYS  30          2HG       LYS  30   8.010  11.570   2.725
  214   2HG   LYS  30          1HG       LYS  30   9.662  11.152   3.183
  215   1HD   LYS  30          2HD       LYS  30   8.780  11.261   0.312
  216   2HD   LYS  30          1HD       LYS  30   9.356  12.692   1.169
  217   1HE   LYS  30          2HE       LYS  30  10.973  10.173   1.149
  218   2HE   LYS  30          1HE       LYS  30  11.032  11.285  -0.217
  219   1HZ   LYS  30          1HZ       LYS  30  12.791  11.777   1.331
  220   2HZ   LYS  30          2HZ       LYS  30  11.689  11.937   2.605
  221   3HZ   LYS  30          3HZ       LYS  30  11.677  13.052   1.332
  222    H    GLU  31           H        GLU  31   5.057   7.933   2.645
  223    HA   GLU  31           HA       GLU  31   4.968   8.828   5.397
  224   1HB   GLU  31          2HB       GLU  31   2.573   9.585   5.166
  225   2HB   GLU  31          1HB       GLU  31   3.779  10.654   4.467
  226   1HG   GLU  31          2HG       GLU  31   3.300   9.619   2.249
  227   2HG   GLU  31          1HG       GLU  31   1.968   8.749   3.011
  228    H    GLU  32           H        GLU  32   2.819   7.961   6.415
  229    HA   GLU  32           HA       GLU  32   2.836   5.110   5.978
  230   1HB   GLU  32          2HB       GLU  32   2.690   6.261   8.245
  231   2HB   GLU  32          1HB       GLU  32   1.023   6.638   7.836
  232   1HG   GLU  32          2HG       GLU  32   1.815   3.823   7.541
  233   2HG   GLU  32          1HG       GLU  32   1.771   4.450   9.189
  234    H    HIS  33           H        HIS  33   0.845   3.855   5.809
  235    HA   HIS  33           HA       HIS  33  -1.513   5.183   4.834
  236   1HB   HIS  33          2HB       HIS  33   0.232   4.853   2.868
  237   2HB   HIS  33          1HB       HIS  33  -0.434   3.222   2.868
  238    HD1  HIS  33           1HD      HIS  33  -3.142   3.130   2.601
  239    HD2  HIS  33           2HD      HIS  33  -1.262   6.669   1.498
  240    HE1  HIS  33           1HE      HIS  33  -4.807   4.359   1.173
  241    HE2  HIS  33           2HE      HIS  33  -3.675   6.529   0.575
  242    H    ARG  34           H        ARG  34  -3.201   4.100   5.528
  243    HA   ARG  34           HA       ARG  34  -2.863   1.466   6.641
  244   1HB   ARG  34          2HB       ARG  34  -4.519   3.554   7.222
  245   2HB   ARG  34          1HB       ARG  34  -5.605   2.462   6.374
  246   1HG   ARG  34          2HG       ARG  34  -3.889   1.630   8.701
  247   2HG   ARG  34          1HG       ARG  34  -5.556   2.187   8.857
  248   1HD   ARG  34          2HD       ARG  34  -5.711  -0.152   8.806
  249   2HD   ARG  34          1HD       ARG  34  -6.145   0.360   7.176
  250    HE   ARG  34           HE       ARG  34  -3.367  -0.210   7.384
  251   1HH1  ARG  34          1HH1      ARG  34  -6.490  -1.741   7.116
  252   2HH1  ARG  34          2HH1      ARG  34  -5.870  -3.154   6.334
  253   1HH2  ARG  34          1HH2      ARG  34  -2.554  -2.056   6.338
  254   2HH2  ARG  34          2HH2      ARG  34  -3.634  -3.336   5.895
  255    H    ASN  35           H        ASN  35  -4.838   2.851   4.006
  256    HA   ASN  35           HA       ASN  35  -5.696   0.237   3.153
  257   1HB   ASN  35          2HB       ASN  35  -6.062   3.000   2.001
  258   2HB   ASN  35          1HB       ASN  35  -6.631   1.554   1.173
  259   1HD2  ASN  35          1HD2      ASN  35  -7.567   0.044   3.270
  260   2HD2  ASN  35          2HD2      ASN  35  -8.914   0.841   3.998
  261    H    MET  36           H        MET  36  -3.202  -0.167   3.168
  262    HA   MET  36           HA       MET  36  -1.519   0.633   1.135
  263   1HB   MET  36          2HB       MET  36  -0.972  -0.765   3.151
  264   2HB   MET  36          1HB       MET  36  -1.663  -2.141   2.311
  265   1HG   MET  36          2HG       MET  36   0.515  -0.550   1.030
  266   2HG   MET  36          1HG       MET  36   0.898  -1.751   2.260
  267   1HE   MET  36          1HE       MET  36  -1.502  -4.393   0.943
  268   2HE   MET  36          2HE       MET  36  -0.505  -3.848   2.292
  269   3HE   MET  36          3HE       MET  36   0.152  -4.982   1.112
  270    H    CYS  37           H        CYS  37  -4.211  -1.549   1.042
  271    HA   CYS  37           HA       CYS  37  -3.601  -2.993  -1.276
  272   1HB   CYS  37          2HB       CYS  37  -6.194  -2.218   0.040
  273   2HB   CYS  37          1HB       CYS  37  -6.174  -3.139  -1.457
  274    H    ALA  38           H        ALA  38  -5.929  -0.323  -1.043
  275    HA   ALA  38           HA       ALA  38  -6.243   0.158  -3.736
  276   1HB   ALA  38          1HB       ALA  38  -7.254   1.275  -1.502
  277   2HB   ALA  38          2HB       ALA  38  -7.459   1.955  -3.117
  278   3HB   ALA  38          3HB       ALA  38  -6.195   2.573  -2.053
  279    H    LEU  39           H        LEU  39  -3.585   0.953  -1.691
  280    HA   LEU  39           HA       LEU  39  -2.409   2.940  -3.351
  281   1HB   LEU  39          2HB       LEU  39  -1.915   1.685  -0.856
  282   2HB   LEU  39          1HB       LEU  39  -0.456   1.547  -1.810
  283    HG   LEU  39           HG       LEU  39  -0.276   3.925  -2.034
  284   1HD1  LEU  39          1HD1      LEU  39  -1.954   5.387  -0.820
  285   2HD1  LEU  39          2HD1      LEU  39  -3.007   3.972  -0.792
  286   3HD1  LEU  39          3HD1      LEU  39  -2.489   4.654  -2.333
  287   1HD2  LEU  39          1HD2      LEU  39   0.694   3.148  -0.027
  288   2HD2  LEU  39          2HD2      LEU  39  -0.877   3.007   0.763
  289   3HD2  LEU  39          3HD2      LEU  39  -0.213   4.599   0.396
  290    H    CYS  40           H        CYS  40  -1.803  -0.510  -2.864
  291    HA   CYS  40           HA       CYS  40   0.301  -0.685  -4.734
  292   1HB   CYS  40          2HB       CYS  40   0.243  -3.004  -4.380
  293   2HB   CYS  40          1HB       CYS  40  -0.321  -2.322  -2.859
  294    H    CYS  41           H        CYS  41  -3.181  -1.064  -4.993
  295    HA   CYS  41           HA       CYS  41  -3.064  -2.021  -7.700
  296   1HB   CYS  41          2HB       CYS  41  -5.308  -2.340  -7.519
  297   2HB   CYS  41          1HB       CYS  41  -4.873  -2.320  -5.823
  298    H    GLU  42           H        GLU  42  -3.651   1.050  -6.104
  299    HA   GLU  42           HA       GLU  42  -4.360   2.407  -8.547
  300   1HB   GLU  42          2HB       GLU  42  -5.214   3.019  -6.261
  301   2HB   GLU  42          1HB       GLU  42  -3.618   3.672  -5.914
  302   1HG   GLU  42          2HG       GLU  42  -4.819   5.535  -6.557
  303   2HG   GLU  42          1HG       GLU  42  -3.973   5.082  -8.036
  304    H    HIS  43           H        HIS  43  -1.417   2.013  -6.681
  305    HA   HIS  43           HA       HIS  43  -0.010   4.093  -8.094
  306   1HB   HIS  43          2HB       HIS  43   0.809   2.011  -6.087
  307   2HB   HIS  43          1HB       HIS  43   1.994   3.034  -6.888
  308    HD1  HIS  43           1HD      HIS  43   0.457   5.702  -6.857
  309    HD2  HIS  43           2HD      HIS  43   0.768   3.144  -3.601
  310    HE1  HIS  43           1HE      HIS  43   0.052   7.139  -4.835
  311    HE2  HIS  43           2HE      HIS  43   0.377   5.595  -2.872
  312    HA   PRO  44           HA       PRO  44   1.757   1.961 -11.489
  313   1HB   PRO  44          2HB       PRO  44   4.515   2.581 -10.652
  314   2HB   PRO  44          1HB       PRO  44   3.625   3.130 -12.076
  315   1HG   PRO  44          2HG       PRO  44   4.183   4.797 -10.053
  316   2HG   PRO  44          1HG       PRO  44   2.656   4.906 -10.949
  317   1HD   PRO  44          2HD       PRO  44   3.200   3.658  -8.276
  318   2HD   PRO  44          1HD       PRO  44   1.844   4.693  -8.770
  319    H    GLY  45           H        GLY  45   1.157  -0.136 -10.613
  320   1HA   GLY  45          2HA       GLY  45   1.638  -2.334 -10.159
  321   2HA   GLY  45          1HA       GLY  45   3.302  -1.967 -10.600
  322    H    GLY  46           H        GLY  46   1.986  -0.030  -8.106
  323   1HA   GLY  46          2HA       GLY  46   1.951  -0.551  -5.750
  324   2HA   GLY  46          1HA       GLY  46   3.199  -1.750  -6.045
  325    H    PHE  47           H        PHE  47   2.561   1.401  -5.038
  326    HA   PHE  47           HA       PHE  47   4.811   2.845  -5.795
  327   1HB   PHE  47          2HB       PHE  47   2.778   3.031  -3.720
  328   2HB   PHE  47          1HB       PHE  47   4.336   3.603  -3.145
  329    HD1  PHE  47           1HD      PHE  47   3.710   3.986  -6.681
  330    HD2  PHE  47           2HD      PHE  47   3.233   5.810  -2.870
  331    HE1  PHE  47           1HE      PHE  47   3.312   6.150  -7.775
  332    HE2  PHE  47           2HE      PHE  47   2.835   7.981  -3.957
  333    HZ   PHE  47           HZ       PHE  47   2.873   8.151  -6.414
  334    H    GLU  48           H        GLU  48   6.369   3.607  -3.803
  335    HA   GLU  48           HA       GLU  48   7.880   1.168  -3.237
  336   1HB   GLU  48          2HB       GLU  48   9.038   3.676  -2.251
  337   2HB   GLU  48          1HB       GLU  48   9.752   2.422  -3.252
  338   1HG   GLU  48          2HG       GLU  48   7.862   3.761  -4.843
  339   2HG   GLU  48          1HG       GLU  48   8.784   4.990  -3.985
  340    H    TYR  49           H        TYR  49   6.091   0.578  -1.739
  341    HA   TYR  49           HA       TYR  49   6.394   1.869   0.886
  342   1HB   TYR  49          2HB       TYR  49   4.352   0.602   1.465
  343   2HB   TYR  49          1HB       TYR  49   4.112   1.883   0.303
  344    HD1  TYR  49           1HD      TYR  49   3.578   1.341  -2.012
  345    HD2  TYR  49           2HD      TYR  49   4.071  -1.694   0.918
  346    HE1  TYR  49           1HE      TYR  49   2.463  -0.257  -3.490
  347    HE2  TYR  49           2HE      TYR  49   2.963  -3.311  -0.546
  348    HH   TYR  49           HH       TYR  49   1.338  -3.256  -2.451
  349    H    SER  50           H        SER  50   6.194   0.460   2.731
  350    HA   SER  50           HA       SER  50   7.137  -2.267   2.336
  351   1HB   SER  50          2HB       SER  50   8.729  -1.363   4.432
  352   2HB   SER  50          1HB       SER  50   9.263  -1.716   2.790
  353    HG   SER  50           HG       SER  50   9.880   0.345   3.144
  354    H    ASN  51           H        ASN  51   5.356  -3.162   3.252
  355    HA   ASN  51           HA       ASN  51   3.813  -2.186   5.287
  356   1HB   ASN  51          2HB       ASN  51   4.443  -5.111   4.934
  357   2HB   ASN  51          1HB       ASN  51   3.017  -4.405   5.691
  358   1HD2  ASN  51          1HD2      ASN  51   1.889  -5.772   4.135
  359   2HD2  ASN  51          2HD2      ASN  51   1.617  -5.170   2.539
  360    H    GLY  52           H        GLY  52   3.939  -1.952   7.373
  361   1HA   GLY  52          2HA       GLY  52   4.776  -3.127   9.479
  362   2HA   GLY  52          1HA       GLY  52   6.358  -2.965   8.733
  363    HA   PRO  53           HA       PRO  53   5.162   0.879  11.257
  364   1HB   PRO  53          2HB       PRO  53   6.563   0.438  13.522
  365   2HB   PRO  53          1HB       PRO  53   4.909  -0.147  13.305
  366   1HG   PRO  53          2HG       PRO  53   7.496  -1.628  13.022
  367   2HG   PRO  53          1HG       PRO  53   5.986  -2.149  13.793
  368   1HD   PRO  53          2HD       PRO  53   6.720  -2.910  11.282
  369   2HD   PRO  53          1HD       PRO  53   5.028  -2.750  11.794
  370    H    CYS  54           H        CYS  54   6.549   1.613   9.449
  371    HA   CYS  54           HA       CYS  54   9.325   2.056  10.328
  372   1HB   CYS  54          2HB       CYS  54   9.253   2.609   7.586
  373   2HB   CYS  54          1HB       CYS  54   9.948   1.192   8.356
  374    H    GLU  55           H        GLU  55   7.747   3.706   7.659
  375    HA   GLU  55           HA       GLU  55   7.620   5.946   7.208
  376   1HB   GLU  55          2HB       GLU  55   5.957   7.061   8.543
  377   2HB   GLU  55          1HB       GLU  55   5.497   5.373   8.367
  378   1HG   GLU  55          2HG       GLU  55   6.296   4.890  10.601
  379   2HG   GLU  55          1HG       GLU  55   6.854   6.553  10.782
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1   8.536  -5.371   2.535
    2   2H    ALA   1          2H        ALA   1   7.209  -4.609   1.759
    3   3H    ALA   1          3H        ALA   1   8.408  -3.663   2.541
    4    HA   ALA   1           HA       ALA   1   9.980  -4.098   0.967
    5   1HB   ALA   1          1HB       ALA   1   8.285  -6.465   0.424
    6   2HB   ALA   1          2HB       ALA   1  10.041  -6.322   0.521
    7   3HB   ALA   1          3HB       ALA   1   9.190  -5.791  -0.930
    8    H    HIS   2           H        HIS   2  10.025  -3.414  -1.313
    9    HA   HIS   2           HA       HIS   2   7.849  -1.575  -1.853
   10   1HB   HIS   2          2HB       HIS   2  10.138  -1.858  -3.735
   11   2HB   HIS   2          1HB       HIS   2   9.349  -0.400  -3.147
   12    HD1  HIS   2           1HD      HIS   2   9.793  -1.030  -0.081
   13    HD2  HIS   2           2HD      HIS   2  12.709  -1.129  -3.038
   14    HE1  HIS   2           1HE      HIS   2  11.972  -0.667   1.112
   15    HE2  HIS   2           2HE      HIS   2  13.733  -0.830  -0.681
   16    H    MET   3           H        MET   3   6.796  -3.921  -2.072
   17    HA   MET   3           HA       MET   3   5.875  -4.082  -4.735
   18   1HB   MET   3          2HB       MET   3   6.705  -6.501  -5.095
   19   2HB   MET   3          1HB       MET   3   7.797  -5.164  -5.430
   20   1HG   MET   3          2HG       MET   3   8.176  -5.838  -2.729
   21   2HG   MET   3          1HG       MET   3   8.108  -7.357  -3.619
   22   1HE   MET   3          1HE       MET   3  10.776  -8.262  -4.618
   23   2HE   MET   3          2HE       MET   3  10.150  -8.050  -2.983
   24   3HE   MET   3          3HE       MET   3  11.741  -7.418  -3.408
   25    H    ASP   4           H        ASP   4   6.396  -6.275  -1.976
   26    HA   ASP   4           HA       ASP   4   4.282  -7.966  -2.229
   27   1HB   ASP   4          2HB       ASP   4   5.869  -6.969   0.049
   28   2HB   ASP   4          1HB       ASP   4   4.336  -7.732   0.465
   29    H    CYS   5           H        CYS   5   2.237  -7.444  -2.717
   30    HA   CYS   5           HA       CYS   5   0.623  -6.118  -0.744
   31   1HB   CYS   5          2HB       CYS   5  -0.302  -4.435  -2.369
   32   2HB   CYS   5          1HB       CYS   5   1.336  -4.115  -1.831
   33    H    THR   6           H        THR   6  -1.628  -5.555  -2.392
   34    HA   THR   6           HA       THR   6  -2.920  -8.005  -2.507
   35    HB   THR   6           HB       THR   6  -4.161  -6.461  -4.472
   36    HG1  THR   6           1HG      THR   6  -3.245  -4.579  -4.255
   37   1HG2  THR   6          1HG2      THR   6  -5.741  -5.839  -2.764
   38   2HG2  THR   6          2HG2      THR   6  -4.592  -6.285  -1.502
   39   3HG2  THR   6          3HG2      THR   6  -5.265  -7.524  -2.561
   40    H    GLU   7           H        GLU   7  -0.619  -6.635  -4.816
   41    HA   GLU   7           HA       GLU   7  -0.979  -7.314  -7.259
   42   1HB   GLU   7          2HB       GLU   7   1.268  -8.213  -5.508
   43   2HB   GLU   7          1HB       GLU   7   1.239  -8.721  -7.191
   44   1HG   GLU   7          2HG       GLU   7   1.573  -6.599  -7.986
   45   2HG   GLU   7          1HG       GLU   7   0.880  -5.838  -6.554
   46    H    PHE   8           H        PHE   8  -2.831  -8.621  -7.482
   47    HA   PHE   8           HA       PHE   8  -2.236 -11.381  -8.006
   48   1HB   PHE   8          2HB       PHE   8  -4.003 -10.578  -5.708
   49   2HB   PHE   8          1HB       PHE   8  -4.297 -12.083  -6.568
   50    HD1  PHE   8           1HD      PHE   8  -2.801 -10.764  -3.776
   51    HD2  PHE   8           2HD      PHE   8  -1.985 -13.451  -6.974
   52    HE1  PHE   8           1HE      PHE   8  -1.094 -11.881  -2.398
   53    HE2  PHE   8           2HE      PHE   8  -0.278 -14.571  -5.602
   54    HZ   PHE   8           HZ       PHE   8   0.170 -13.787  -3.311
   55    H    ASN   9           H        ASN   9  -4.958 -12.263  -8.141
   56    HA   ASN   9           HA       ASN   9  -5.713 -11.096 -10.621
   57   1HB   ASN   9          2HB       ASN   9  -6.571 -13.334  -8.958
   58   2HB   ASN   9          1HB       ASN   9  -7.930 -12.514  -9.721
   59   1HD2  ASN   9          1HD2      ASN   9  -4.612 -13.290 -10.718
   60   2HD2  ASN   9          2HD2      ASN   9  -5.058 -14.073 -12.193
   61    HA   PRO  10           HA       PRO  10  -9.167  -8.942  -8.183
   62   1HB   PRO  10          2HB       PRO  10  -9.694  -9.539  -5.645
   63   2HB   PRO  10          1HB       PRO  10 -10.153 -10.651  -6.940
   64   1HG   PRO  10          2HG       PRO  10  -7.876 -10.810  -5.022
   65   2HG   PRO  10          1HG       PRO  10  -8.875 -12.111  -5.689
   66   1HD   PRO  10          2HD       PRO  10  -6.330 -11.332  -6.596
   67   2HD   PRO  10          1HD       PRO  10  -7.471 -12.392  -7.447
   68    H    LEU  11           H        LEU  11  -7.595  -7.193  -8.411
   69    HA   LEU  11           HA       LEU  11  -5.745  -6.431  -6.479
   70   1HB   LEU  11          2HB       LEU  11  -7.320  -4.654  -8.340
   71   2HB   LEU  11          1HB       LEU  11  -5.874  -4.174  -7.471
   72    HG   LEU  11           HG       LEU  11  -6.057  -6.239  -9.664
   73   1HD1  LEU  11          1HD1      LEU  11  -5.214  -3.408  -9.508
   74   2HD1  LEU  11          2HD1      LEU  11  -5.947  -4.305 -10.838
   75   3HD1  LEU  11          3HD1      LEU  11  -4.226  -4.487 -10.492
   76   1HD2  LEU  11          1HD2      LEU  11  -3.677  -5.389  -8.019
   77   2HD2  LEU  11          2HD2      LEU  11  -3.631  -6.448  -9.428
   78   3HD2  LEU  11          3HD2      LEU  11  -4.471  -6.963  -7.965
   79    H    CYS  12           H        CYS  12  -5.916  -4.201  -5.356
   80    HA   CYS  12           HA       CYS  12  -6.960  -4.252  -3.032
   81   1HB   CYS  12          2HB       CYS  12  -7.089  -1.941  -2.867
   82   2HB   CYS  12          1HB       CYS  12  -5.944  -2.224  -4.163
   83    H    ARG  13           H        ARG  13  -8.587  -5.863  -3.458
   84    HA   ARG  13           HA       ARG  13 -11.267  -4.882  -4.072
   85   1HB   ARG  13          2HB       ARG  13 -10.295  -7.235  -4.663
   86   2HB   ARG  13          1HB       ARG  13 -10.666  -7.623  -2.987
   87   1HG   ARG  13          2HG       ARG  13 -12.973  -7.296  -3.310
   88   2HG   ARG  13          1HG       ARG  13 -12.719  -6.490  -4.860
   89   1HD   ARG  13          2HD       ARG  13 -11.533  -8.917  -5.273
   90   2HD   ARG  13          1HD       ARG  13 -12.881  -9.342  -4.220
   91    HE   ARG  13           HE       ARG  13 -13.844  -7.662  -6.235
   92   1HH1  ARG  13          1HH1      ARG  13 -12.510 -10.867  -5.882
   93   2HH1  ARG  13          2HH1      ARG  13 -13.363 -11.508  -7.246
   94   1HH2  ARG  13          1HH2      ARG  13 -14.962  -8.500  -8.033
   95   2HH2  ARG  13          2HH2      ARG  13 -14.755 -10.164  -8.469
   96    H    CYS  14           H        CYS  14 -10.021  -3.627  -1.992
   97    HA   CYS  14           HA       CYS  14 -11.575  -4.459   0.326
   98   1HB   CYS  14          2HB       CYS  14  -9.286  -3.066   1.188
   99   2HB   CYS  14          1HB       CYS  14  -9.649  -4.771   1.419
  100    H    ASN  15           H        ASN  15 -10.997  -2.416   1.898
  101    HA   ASN  15           HA       ASN  15 -12.171  -0.111   0.519
  102   1HB   ASN  15          2HB       ASN  15 -13.208  -1.461   2.609
  103   2HB   ASN  15          1HB       ASN  15 -12.315  -0.235   3.461
  104   1HD2  ASN  15          1HD2      ASN  15 -12.641   1.765   1.409
  105   2HD2  ASN  15          2HD2      ASN  15 -14.281   2.286   1.497
  106    H    LYS  16           H        LYS  16 -11.768   1.398   2.982
  107    HA   LYS  16           HA       LYS  16  -8.885   1.950   2.844
  108   1HB   LYS  16          2HB       LYS  16 -10.188   3.704   1.630
  109   2HB   LYS  16          1HB       LYS  16 -11.082   4.022   3.111
  110   1HG   LYS  16          2HG       LYS  16  -9.540   5.561   3.555
  111   2HG   LYS  16          1HG       LYS  16  -8.447   4.219   3.901
  112   1HD   LYS  16          2HD       LYS  16  -7.752   4.214   1.536
  113   2HD   LYS  16          1HD       LYS  16  -8.794   5.610   1.248
  114   1HE   LYS  16          2HE       LYS  16  -6.699   6.567   1.571
  115   2HE   LYS  16          1HE       LYS  16  -7.462   6.722   3.153
  116   1HZ   LYS  16          1HZ       LYS  16  -5.603   5.767   3.899
  117   2HZ   LYS  16          2HZ       LYS  16  -5.147   5.201   2.372
  118   3HZ   LYS  16          3HZ       LYS  16  -6.243   4.316   3.307
  119    H    MET  17           H        MET  17 -10.941   0.475   4.482
  120    HA   MET  17           HA       MET  17 -11.402   1.601   6.960
  121   1HB   MET  17          2HB       MET  17 -11.950  -0.539   7.666
  122   2HB   MET  17          1HB       MET  17 -12.182  -0.622   5.927
  123   1HG   MET  17          2HG       MET  17  -9.520  -1.366   6.368
  124   2HG   MET  17          1HG       MET  17 -10.461  -2.179   7.616
  125   1HE   MET  17          1HE       MET  17  -9.267  -4.327   4.634
  126   2HE   MET  17          2HE       MET  17 -10.147  -5.095   5.955
  127   3HE   MET  17          3HE       MET  17  -8.988  -3.810   6.298
  128    H    LEU  18           H        LEU  18 -10.347   0.190   8.923
  129    HA   LEU  18           HA       LEU  18  -7.852   1.471   9.329
  130   1HB   LEU  18          2HB       LEU  18  -7.798  -0.057  11.417
  131   2HB   LEU  18          1HB       LEU  18  -9.002   1.209  11.307
  132    HG   LEU  18           HG       LEU  18  -9.696  -1.114  12.184
  133   1HD1  LEU  18          1HD1      LEU  18 -11.070   0.870  10.642
  134   2HD1  LEU  18          2HD1      LEU  18 -11.649  -0.099  11.996
  135   3HD1  LEU  18          3HD1      LEU  18 -11.773  -0.721  10.351
  136   1HD2  LEU  18          1HD2      LEU  18  -9.517  -1.653   9.231
  137   2HD2  LEU  18          2HD2      LEU  18 -10.557  -2.578  10.311
  138   3HD2  LEU  18          3HD2      LEU  18  -8.812  -2.572  10.559
  139    H    GLY  19           H        GLY  19  -6.926   0.502   7.301
  140   1HA   GLY  19          2HA       GLY  19  -6.147  -2.211   7.190
  141   2HA   GLY  19          1HA       GLY  19  -5.414  -0.895   6.284
  142    H    ASP  20           H        ASP  20  -3.394  -2.046   6.622
  143    HA   ASP  20           HA       ASP  20  -2.357  -2.181   9.313
  144   1HB   ASP  20          2HB       ASP  20  -0.667  -2.636   6.890
  145   2HB   ASP  20          1HB       ASP  20  -0.641  -3.454   8.442
  146    H    LEU  21           H        LEU  21   0.008  -1.408   9.552
  147    HA   LEU  21           HA       LEU  21   0.054   1.436   8.865
  148   1HB   LEU  21          2HB       LEU  21   1.775   1.575  10.626
  149   2HB   LEU  21          1HB       LEU  21   0.256   0.913  11.206
  150    HG   LEU  21           HG       LEU  21   2.236  -1.084  10.319
  151   1HD1  LEU  21          1HD1      LEU  21   3.484   0.818  11.560
  152   2HD1  LEU  21          2HD1      LEU  21   3.759  -0.858  12.033
  153   3HD1  LEU  21          3HD1      LEU  21   2.689   0.164  12.992
  154   1HD2  LEU  21          1HD2      LEU  21   0.065  -0.781  12.278
  155   2HD2  LEU  21          2HD2      LEU  21   1.422  -1.785  12.792
  156   3HD2  LEU  21          3HD2      LEU  21   0.544  -2.178  11.314
  157    H    ILE  22           H        ILE  22   0.736   1.112   6.681
  158    HA   ILE  22           HA       ILE  22   3.415   0.019   6.299
  159    HB   ILE  22           HB       ILE  22   1.941  -0.838   4.708
  160   1HG1  ILE  22          2HG1      ILE  22   4.096   0.383   3.837
  161   2HG1  ILE  22          1HG1      ILE  22   2.937  -0.334   2.724
  162   1HG2  ILE  22          1HG2      ILE  22   0.837   1.918   4.599
  163   2HG2  ILE  22          2HG2      ILE  22  -0.002   0.378   4.795
  164   3HG2  ILE  22          3HG2      ILE  22   0.632   0.845   3.216
  165   1HD1  ILE  22          1HD1      ILE  22   3.855   2.113   2.401
  166   2HD1  ILE  22          2HD1      ILE  22   2.525   2.498   3.485
  167   3HD1  ILE  22          3HD1      ILE  22   2.211   1.671   1.959
  168    H    CYS  23           H        CYS  23   4.999   1.163   5.069
  169    HA   CYS  23           HA       CYS  23   4.763   4.106   5.323
  170   1HB   CYS  23          2HB       CYS  23   6.466   3.033   6.825
  171   2HB   CYS  23          1HB       CYS  23   7.313   2.476   5.389
  172    H    ALA  24           H        ALA  24   3.889   4.299   3.226
  173    HA   ALA  24           HA       ALA  24   5.437   3.234   1.022
  174   1HB   ALA  24          1HB       ALA  24   3.327   4.766  -0.007
  175   2HB   ALA  24          2HB       ALA  24   2.703   3.969   1.438
  176   3HB   ALA  24          3HB       ALA  24   3.423   3.011   0.143
  177    H    VAL  25           H        VAL  25   6.572   4.303  -0.417
  178    HA   VAL  25           HA       VAL  25   6.703   7.223  -0.381
  179    HB   VAL  25           HB       VAL  25   8.572   6.294   0.932
  180   1HG1  VAL  25          1HG1      VAL  25   9.241   4.901  -1.644
  181   2HG1  VAL  25          2HG1      VAL  25   8.920   4.176  -0.070
  182   3HG1  VAL  25          3HG1      VAL  25  10.391   5.115  -0.324
  183   1HG2  VAL  25          1HG2      VAL  25   9.732   7.382  -1.603
  184   2HG2  VAL  25          2HG2      VAL  25  10.182   7.729   0.066
  185   3HG2  VAL  25          3HG2      VAL  25   8.682   8.380  -0.595
  186    H    ILE  26           H        ILE  26   7.144   8.165  -2.340
  187    HA   ILE  26           HA       ILE  26   7.788   6.515  -4.631
  188    HB   ILE  26           HB       ILE  26   5.732   7.670  -5.848
  189   1HG1  ILE  26          2HG1      ILE  26   5.004   8.685  -3.626
  190   2HG1  ILE  26          1HG1      ILE  26   3.766   7.840  -4.545
  191   1HG2  ILE  26          1HG2      ILE  26   6.467   5.165  -5.317
  192   2HG2  ILE  26          2HG2      ILE  26   4.945   5.572  -6.106
  193   3HG2  ILE  26          3HG2      ILE  26   4.976   5.220  -4.380
  194   1HD1  ILE  26          1HD1      ILE  26   3.339   7.021  -2.476
  195   2HD1  ILE  26          2HD1      ILE  26   5.011   7.150  -1.951
  196   3HD1  ILE  26          3HD1      ILE  26   4.521   5.826  -3.001
  197    H    GLY  27           H        GLY  27   9.572   7.788  -4.883
  198   1HA   GLY  27          2HA       GLY  27  10.799   9.428  -5.902
  199   2HA   GLY  27          1HA       GLY  27   9.291  10.063  -6.537
  200    H    ASP  28           H        ASP  28   7.904  10.977  -4.593
  201    HA   ASP  28           HA       ASP  28   9.516  12.449  -2.690
  202   1HB   ASP  28          2HB       ASP  28   8.579  14.644  -3.416
  203   2HB   ASP  28          1HB       ASP  28   9.661  13.921  -4.602
  204    H    ALA  29           H        ALA  29   7.269  10.444  -2.801
  205    HA   ALA  29           HA       ALA  29   5.432  11.967  -1.063
  206   1HB   ALA  29          1HB       ALA  29   4.027   9.778  -2.212
  207   2HB   ALA  29          2HB       ALA  29   4.788  10.693  -3.514
  208   3HB   ALA  29          3HB       ALA  29   3.709  11.505  -2.381
  209    H    LYS  30           H        LYS  30   6.826  11.196   0.640
  210    HA   LYS  30           HA       LYS  30   6.570   8.326   1.194
  211   1HB   LYS  30          2HB       LYS  30   8.275   9.091   3.097
  212   2HB   LYS  30          1HB       LYS  30   8.807   8.684   1.475
  213   1HG   LYS  30          2HG       LYS  30   8.137  11.505   2.219
  214   2HG   LYS  30          1HG       LYS  30   9.722  10.813   2.567
  215   1HD   LYS  30          2HD       LYS  30   8.716  10.408  -0.176
  216   2HD   LYS  30          1HD       LYS  30   9.097  12.074   0.262
  217   1HE   LYS  30          2HE       LYS  30  11.222  10.548   1.244
  218   2HE   LYS  30          1HE       LYS  30  10.868   9.879  -0.349
  219   1HZ   LYS  30          1HZ       LYS  30  10.792  12.493  -0.866
  220   2HZ   LYS  30          2HZ       LYS  30  12.187  11.548  -1.025
  221   3HZ   LYS  30          3HZ       LYS  30  11.947  12.472   0.372
  222    H    GLU  31           H        GLU  31   4.780   7.913   2.344
  223    HA   GLU  31           HA       GLU  31   4.463   9.147   4.933
  224   1HB   GLU  31          2HB       GLU  31   3.147  10.394   2.895
  225   2HB   GLU  31          1HB       GLU  31   1.932   9.239   3.426
  226   1HG   GLU  31          2HG       GLU  31   1.642  11.354   4.554
  227   2HG   GLU  31          1HG       GLU  31   2.107  10.104   5.705
  228    H    GLU  32           H        GLU  32   2.545   8.162   6.108
  229    HA   GLU  32           HA       GLU  32   2.701   5.320   5.825
  230   1HB   GLU  32          2HB       GLU  32   2.029   7.099   7.880
  231   2HB   GLU  32          1HB       GLU  32   0.555   6.197   7.559
  232   1HG   GLU  32          2HG       GLU  32   1.796   5.100   9.287
  233   2HG   GLU  32          1HG       GLU  32   1.810   4.099   7.836
  234    H    HIS  33           H        HIS  33   0.763   3.935   5.778
  235    HA   HIS  33           HA       HIS  33  -1.562   5.045   4.448
  236   1HB   HIS  33          2HB       HIS  33   0.515   3.587   3.023
  237   2HB   HIS  33          1HB       HIS  33  -1.059   2.813   2.868
  238    HD1  HIS  33           1HD      HIS  33  -3.029   4.489   1.997
  239    HD2  HIS  33           2HD      HIS  33   0.895   5.688   1.342
  240    HE1  HIS  33           1HE      HIS  33  -3.155   6.258   0.214
  241    HE2  HIS  33           2HE      HIS  33  -0.778   7.029  -0.105
  242    H    ARG  34           H        ARG  34  -3.383   3.980   4.948
  243    HA   ARG  34           HA       ARG  34  -3.213   1.851   6.888
  244   1HB   ARG  34          2HB       ARG  34  -5.351   3.593   5.795
  245   2HB   ARG  34          1HB       ARG  34  -5.837   2.044   6.468
  246   1HG   ARG  34          2HG       ARG  34  -5.948   3.934   8.077
  247   2HG   ARG  34          1HG       ARG  34  -4.919   2.600   8.602
  248   1HD   ARG  34          2HD       ARG  34  -3.515   4.664   7.073
  249   2HD   ARG  34          1HD       ARG  34  -4.207   5.240   8.588
  250    HE   ARG  34           HE       ARG  34  -2.750   2.791   8.882
  251   1HH1  ARG  34          1HH1      ARG  34  -2.449   6.266   8.726
  252   2HH1  ARG  34          2HH1      ARG  34  -0.973   6.303   9.632
  253   1HH2  ARG  34          1HH2      ARG  34  -0.811   2.839  10.074
  254   2HH2  ARG  34          2HH2      ARG  34  -0.044   4.357  10.397
  255    H    ASN  35           H        ASN  35  -5.429   2.076   4.124
  256    HA   ASN  35           HA       ASN  35  -5.358  -0.779   3.791
  257   1HB   ASN  35          2HB       ASN  35  -6.958   1.463   2.700
  258   2HB   ASN  35          1HB       ASN  35  -6.787   0.050   1.660
  259   1HD2  ASN  35          1HD2      ASN  35  -7.973  -1.711   2.073
  260   2HD2  ASN  35          2HD2      ASN  35  -9.014  -1.905   3.436
  261    H    MET  36           H        MET  36  -3.002  -0.630   3.444
  262    HA   MET  36           HA       MET  36  -1.655   0.431   1.340
  263   1HB   MET  36          2HB       MET  36  -0.508  -0.744   3.057
  264   2HB   MET  36          1HB       MET  36  -1.369  -2.232   2.711
  265   1HG   MET  36          2HG       MET  36  -0.002  -1.407   0.351
  266   2HG   MET  36          1HG       MET  36   1.126  -1.363   1.705
  267   1HE   MET  36          1HE       MET  36  -1.471  -3.661  -0.245
  268   2HE   MET  36          2HE       MET  36  -1.993  -3.665   1.440
  269   3HE   MET  36          3HE       MET  36  -1.340  -5.135   0.716
  270    H    CYS  37           H        CYS  37  -3.920  -2.224   1.280
  271    HA   CYS  37           HA       CYS  37  -3.196  -3.325  -1.203
  272   1HB   CYS  37          2HB       CYS  37  -5.324  -4.426  -1.201
  273   2HB   CYS  37          1HB       CYS  37  -4.737  -4.395   0.456
  274    H    ALA  38           H        ALA  38  -5.500  -0.769  -0.363
  275    HA   ALA  38           HA       ALA  38  -6.436  -0.258  -2.971
  276   1HB   ALA  38          1HB       ALA  38  -7.491   0.591  -0.876
  277   2HB   ALA  38          2HB       ALA  38  -7.266   1.828  -2.112
  278   3HB   ALA  38          3HB       ALA  38  -6.168   1.749  -0.734
  279    H    LEU  39           H        LEU  39  -3.558   0.629  -1.269
  280    HA   LEU  39           HA       LEU  39  -2.692   2.695  -3.036
  281   1HB   LEU  39          2HB       LEU  39  -1.807   1.421  -0.657
  282   2HB   LEU  39          1HB       LEU  39  -0.494   1.348  -1.807
  283    HG   LEU  39           HG       LEU  39  -1.669   3.707  -0.428
  284   1HD1  LEU  39          1HD1      LEU  39   0.337   3.280   0.512
  285   2HD1  LEU  39          2HD1      LEU  39   0.934   4.220  -0.856
  286   3HD1  LEU  39          3HD1      LEU  39   0.957   2.458  -0.919
  287   1HD2  LEU  39          1HD2      LEU  39  -0.574   3.746  -3.229
  288   2HD2  LEU  39          2HD2      LEU  39  -0.491   5.152  -2.168
  289   3HD2  LEU  39          3HD2      LEU  39  -2.057   4.479  -2.616
  290    H    CYS  40           H        CYS  40  -1.973  -0.736  -2.706
  291    HA   CYS  40           HA       CYS  40  -0.048  -0.946  -4.713
  292   1HB   CYS  40          2HB       CYS  40  -0.400  -2.705  -3.084
  293   2HB   CYS  40          1HB       CYS  40  -2.020  -2.999  -3.706
  294    H    CYS  41           H        CYS  41  -3.542  -0.954  -4.839
  295    HA   CYS  41           HA       CYS  41  -3.589  -1.737  -7.621
  296   1HB   CYS  41          2HB       CYS  41  -5.840  -1.988  -7.353
  297   2HB   CYS  41          1HB       CYS  41  -5.304  -2.181  -5.701
  298    H    GLU  42           H        GLU  42  -3.922   1.154  -5.702
  299    HA   GLU  42           HA       GLU  42  -4.562   2.785  -8.031
  300   1HB   GLU  42          2HB       GLU  42  -5.579   3.062  -5.690
  301   2HB   GLU  42          1HB       GLU  42  -4.058   3.834  -5.260
  302   1HG   GLU  42          2HG       GLU  42  -5.042   4.965  -7.694
  303   2HG   GLU  42          1HG       GLU  42  -6.314   4.990  -6.473
  304    H    HIS  43           H        HIS  43  -1.724   1.573  -7.010
  305    HA   HIS  43           HA       HIS  43  -0.134   3.977  -7.051
  306   1HB   HIS  43          2HB       HIS  43   1.791   2.513  -6.847
  307   2HB   HIS  43          1HB       HIS  43   0.550   2.041  -5.701
  308    HD1  HIS  43           1HD      HIS  43   0.160   0.877  -9.230
  309    HD2  HIS  43           2HD      HIS  43   1.674  -0.528  -5.624
  310    HE1  HIS  43           1HE      HIS  43   0.542  -1.579  -9.578
  311    HE2  HIS  43           2HE      HIS  43   1.370  -2.427  -7.354
  312    HA   PRO  44           HA       PRO  44   0.906   4.364 -11.293
  313   1HB   PRO  44          2HB       PRO  44   3.797   4.270 -10.776
  314   2HB   PRO  44          1HB       PRO  44   2.805   5.611 -11.350
  315   1HG   PRO  44          2HG       PRO  44   3.864   5.578  -8.875
  316   2HG   PRO  44          1HG       PRO  44   2.290   6.320  -9.219
  317   1HD   PRO  44          2HD       PRO  44   2.909   3.653  -8.001
  318   2HD   PRO  44          1HD       PRO  44   1.659   4.834  -7.550
  319    H    GLY  45           H        GLY  45   3.656   2.419 -10.123
  320   1HA   GLY  45          2HA       GLY  45   2.784   0.116 -11.643
  321   2HA   GLY  45          1HA       GLY  45   4.193   0.929 -12.305
  322    H    GLY  46           H        GLY  46   3.673   0.879  -8.866
  323   1HA   GLY  46          2HA       GLY  46   4.613  -1.312  -7.786
  324   2HA   GLY  46          1HA       GLY  46   6.078  -0.778  -8.595
  325    H    PHE  47           H        PHE  47   3.564   0.491  -6.411
  326    HA   PHE  47           HA       PHE  47   5.041   2.594  -5.336
  327   1HB   PHE  47          2HB       PHE  47   2.556   1.274  -4.785
  328   2HB   PHE  47          1HB       PHE  47   3.410   1.524  -3.266
  329    HD1  PHE  47           1HD      PHE  47   3.445   3.673  -6.285
  330    HD2  PHE  47           2HD      PHE  47   2.181   3.217  -2.256
  331    HE1  PHE  47           1HE      PHE  47   2.682   6.011  -6.267
  332    HE2  PHE  47           2HE      PHE  47   1.416   5.555  -2.224
  333    HZ   PHE  47           HZ       PHE  47   1.665   6.956  -4.234
  334    H    GLU  48           H        GLU  48   6.438   2.789  -3.591
  335    HA   GLU  48           HA       GLU  48   7.569   0.215  -2.639
  336   1HB   GLU  48          2HB       GLU  48   9.270   1.579  -3.590
  337   2HB   GLU  48          1HB       GLU  48   8.659   3.029  -2.811
  338   1HG   GLU  48          2HG       GLU  48   9.674   2.573  -0.842
  339   2HG   GLU  48          1HG       GLU  48   9.600   0.831  -1.077
  340    H    TYR  49           H        TYR  49   6.817  -0.394  -0.755
  341    HA   TYR  49           HA       TYR  49   6.459   1.634   1.325
  342   1HB   TYR  49          2HB       TYR  49   4.576   0.115   2.118
  343   2HB   TYR  49          1HB       TYR  49   4.256   1.219   0.788
  344    HD1  TYR  49           1HD      TYR  49   3.342   0.394  -1.151
  345    HD2  TYR  49           2HD      TYR  49   5.348  -2.246   1.496
  346    HE1  TYR  49           1HE      TYR  49   2.691  -1.491  -2.548
  347    HE2  TYR  49           2HE      TYR  49   4.708  -4.151   0.116
  348    HH   TYR  49           HH       TYR  49   3.453  -3.756  -3.036
  349    H    SER  50           H        SER  50   6.574   0.832   3.449
  350    HA   SER  50           HA       SER  50   7.860  -1.795   3.702
  351   1HB   SER  50          2HB       SER  50   9.546  -1.009   5.134
  352   2HB   SER  50          1HB       SER  50   9.520   0.128   3.787
  353    HG   SER  50           HG       SER  50   8.437   0.478   6.382
  354    H    ASN  51           H        ASN  51   6.116  -2.750   4.491
  355    HA   ASN  51           HA       ASN  51   4.203  -1.752   6.166
  356   1HB   ASN  51          2HB       ASN  51   5.201  -4.593   6.284
  357   2HB   ASN  51          1HB       ASN  51   3.612  -3.994   6.756
  358   1HD2  ASN  51          1HD2      ASN  51   2.130  -4.571   5.353
  359   2HD2  ASN  51          2HD2      ASN  51   2.310  -4.622   3.636
  360    H    GLY  52           H        GLY  52   4.016  -1.278   8.226
  361   1HA   GLY  52          2HA       GLY  52   4.579  -1.951  10.559
  362   2HA   GLY  52          1HA       GLY  52   6.251  -2.004  10.029
  363    HA   PRO  53           HA       PRO  53   5.379   2.085  12.169
  364   1HB   PRO  53          2HB       PRO  53   7.892   2.105  13.331
  365   2HB   PRO  53          1HB       PRO  53   6.422   1.508  14.108
  366   1HG   PRO  53          2HG       PRO  53   8.583  -0.015  12.714
  367   2HG   PRO  53          1HG       PRO  53   7.700  -0.422  14.198
  368   1HD   PRO  53          2HD       PRO  53   7.111  -1.590  11.861
  369   2HD   PRO  53          1HD       PRO  53   5.840  -1.177  13.032
  370    H    CYS  54           H        CYS  54   6.293   4.104  11.690
  371    HA   CYS  54           HA       CYS  54   8.700   4.531  10.316
  372   1HB   CYS  54          2HB       CYS  54   7.228   3.264   8.588
  373   2HB   CYS  54          1HB       CYS  54   6.373   4.794   8.437
  374    H    GLU  55           H        GLU  55   5.377   5.751   9.909
  375    HA   GLU  55           HA       GLU  55   6.289   8.476  10.223
  376   1HB   GLU  55          2HB       GLU  55   4.474   7.668   8.605
  377   2HB   GLU  55          1HB       GLU  55   3.423   7.565  10.011
  378   1HG   GLU  55          2HG       GLU  55   4.331  10.060  10.329
  379   2HG   GLU  55          1HG       GLU  55   4.458   9.927   8.576
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  11.915   0.018  -5.483
    2   2H    ALA   1          2H        ALA   1  12.178  -1.345  -4.473
    3   3H    ALA   1          3H        ALA   1  11.451   0.072  -3.833
    4    HA   ALA   1           HA       ALA   1   9.503  -0.257  -4.929
    5   1HB   ALA   1          1HB       ALA   1  10.960  -0.978  -7.039
    6   2HB   ALA   1          2HB       ALA   1   9.236  -1.326  -6.913
    7   3HB   ALA   1          3HB       ALA   1  10.418  -2.577  -6.527
    8    H    HIS   2           H        HIS   2   9.709  -0.951  -2.553
    9    HA   HIS   2           HA       HIS   2   9.664  -3.822  -2.144
   10   1HB   HIS   2          2HB       HIS   2   9.035  -1.790  -0.021
   11   2HB   HIS   2          1HB       HIS   2   9.767  -3.380   0.157
   12    HD1  HIS   2           1HD      HIS   2  11.995  -2.924  -2.053
   13    HD2  HIS   2           2HD      HIS   2  11.117  -0.368   1.103
   14    HE1  HIS   2           1HE      HIS   2  14.085  -1.578  -1.678
   15    HE2  HIS   2           2HE      HIS   2  13.494   0.033   0.167
   16    H    MET   3           H        MET   3   7.721  -3.528  -3.764
   17    HA   MET   3           HA       MET   3   5.213  -2.768  -2.665
   18   1HB   MET   3          2HB       MET   3   4.351  -4.230  -4.653
   19   2HB   MET   3          1HB       MET   3   5.161  -2.704  -4.969
   20   1HG   MET   3          2HG       MET   3   5.858  -4.542  -6.463
   21   2HG   MET   3          1HG       MET   3   7.187  -3.822  -5.560
   22   1HE   MET   3          1HE       MET   3   6.238  -7.499  -6.683
   23   2HE   MET   3          2HE       MET   3   4.846  -6.525  -6.210
   24   3HE   MET   3          3HE       MET   3   5.317  -7.919  -5.239
   25    H    ASP   4           H        ASP   4   3.344  -4.422  -2.734
   26    HA   ASP   4           HA       ASP   4   3.704  -7.122  -2.132
   27   1HB   ASP   4          2HB       ASP   4   4.595  -5.565  -0.013
   28   2HB   ASP   4          1HB       ASP   4   2.955  -5.991   0.465
   29    H    CYS   5           H        CYS   5   1.890  -6.669  -3.669
   30    HA   CYS   5           HA       CYS   5  -0.548  -5.591  -2.595
   31   1HB   CYS   5          2HB       CYS   5   0.376  -5.700  -5.086
   32   2HB   CYS   5          1HB       CYS   5  -0.504  -7.220  -5.099
   33    H    THR   6           H        THR   6  -2.575  -7.221  -3.409
   34    HA   THR   6           HA       THR   6  -2.697  -9.108  -1.362
   35    HB   THR   6           HB       THR   6  -4.398  -9.254  -3.853
   36    HG1  THR   6           1HG      THR   6  -4.418  -7.337  -1.790
   37   1HG2  THR   6          1HG2      THR   6  -4.825  -9.923  -0.965
   38   2HG2  THR   6          2HG2      THR   6  -5.026 -10.954  -2.381
   39   3HG2  THR   6          3HG2      THR   6  -6.170  -9.648  -2.071
   40    H    GLU   7           H        GLU   7  -3.633 -10.724  -4.331
   41    HA   GLU   7           HA       GLU   7  -1.219 -11.909  -5.016
   42   1HB   GLU   7          2HB       GLU   7  -0.954 -13.762  -3.711
   43   2HB   GLU   7          1HB       GLU   7  -1.649 -12.666  -2.533
   44   1HG   GLU   7          2HG       GLU   7  -3.128 -14.250  -2.094
   45   2HG   GLU   7          1HG       GLU   7  -3.858 -13.890  -3.657
   46    H    PHE   8           H        PHE   8  -3.982 -11.104  -5.982
   47    HA   PHE   8           HA       PHE   8  -4.202 -13.262  -7.884
   48   1HB   PHE   8          2HB       PHE   8  -6.728 -13.533  -7.334
   49   2HB   PHE   8          1HB       PHE   8  -5.543 -14.392  -6.364
   50    HD1  PHE   8           1HD      PHE   8  -7.046 -14.676  -4.519
   51    HD2  PHE   8           2HD      PHE   8  -6.087 -10.786  -5.958
   52    HE1  PHE   8           1HE      PHE   8  -7.999 -13.689  -2.478
   53    HE2  PHE   8           2HE      PHE   8  -7.035  -9.796  -3.918
   54    HZ   PHE   8           HZ       PHE   8  -7.995 -11.246  -2.175
   55    H    ASN   9           H        ASN   9  -6.734 -12.771  -8.902
   56    HA   ASN   9           HA       ASN   9  -6.258 -10.427 -10.421
   57   1HB   ASN   9          2HB       ASN   9  -8.902 -11.867 -10.274
   58   2HB   ASN   9          1HB       ASN   9  -8.218 -10.979 -11.630
   59   1HD2  ASN   9          1HD2      ASN   9  -8.541 -13.987 -10.115
   60   2HD2  ASN   9          2HD2      ASN   9  -7.496 -14.894 -11.150
   61    HA   PRO  10           HA       PRO  10 -10.018  -8.595  -7.947
   62   1HB   PRO  10          2HB       PRO  10 -10.461  -9.724  -5.493
   63   2HB   PRO  10          1HB       PRO  10 -11.347 -10.175  -6.954
   64   1HG   PRO  10          2HG       PRO  10  -9.029 -11.537  -5.644
   65   2HG   PRO  10          1HG       PRO  10 -10.483 -12.247  -6.371
   66   1HD   PRO  10          2HD       PRO  10  -8.113 -12.205  -7.649
   67   2HD   PRO  10          1HD       PRO  10  -9.653 -12.061  -8.517
   68    H    LEU  11           H        LEU  11  -7.971  -7.341  -7.995
   69    HA   LEU  11           HA       LEU  11  -6.069  -7.190  -6.012
   70   1HB   LEU  11          2HB       LEU  11  -5.533  -5.060  -6.834
   71   2HB   LEU  11          1HB       LEU  11  -6.129  -5.978  -8.203
   72    HG   LEU  11           HG       LEU  11  -7.505  -3.744  -6.726
   73   1HD1  LEU  11          1HD1      LEU  11  -5.870  -3.641  -8.848
   74   2HD1  LEU  11          2HD1      LEU  11  -7.214  -2.525  -8.602
   75   3HD1  LEU  11          3HD1      LEU  11  -7.407  -3.915  -9.669
   76   1HD2  LEU  11          1HD2      LEU  11  -9.149  -5.523  -7.009
   77   2HD2  LEU  11          2HD2      LEU  11  -8.743  -5.638  -8.722
   78   3HD2  LEU  11          3HD2      LEU  11  -9.491  -4.171  -8.090
   79    H    CYS  12           H        CYS  12  -5.955  -4.779  -4.934
   80    HA   CYS  12           HA       CYS  12  -6.603  -4.736  -2.488
   81   1HB   CYS  12          2HB       CYS  12  -7.048  -2.373  -2.458
   82   2HB   CYS  12          1HB       CYS  12  -5.842  -2.734  -3.681
   83    H    ARG  13           H        ARG  13  -8.316  -6.437  -2.688
   84    HA   ARG  13           HA       ARG  13 -11.042  -5.436  -2.810
   85   1HB   ARG  13          2HB       ARG  13 -10.318  -7.714  -3.668
   86   2HB   ARG  13          1HB       ARG  13 -10.141  -8.196  -1.986
   87   1HG   ARG  13          2HG       ARG  13 -12.265  -8.828  -2.082
   88   2HG   ARG  13          1HG       ARG  13 -12.672  -7.111  -2.066
   89   1HD   ARG  13          2HD       ARG  13 -13.320  -7.129  -4.211
   90   2HD   ARG  13          1HD       ARG  13 -11.950  -8.119  -4.712
   91    HE   ARG  13           HE       ARG  13 -14.579  -9.016  -4.287
   92   1HH1  ARG  13          1HH1      ARG  13 -11.281  -9.960  -3.635
   93   2HH1  ARG  13          2HH1      ARG  13 -11.641 -11.654  -3.606
   94   1HH2  ARG  13          1HH2      ARG  13 -15.050 -11.243  -4.254
   95   2HH2  ARG  13          2HH2      ARG  13 -13.779 -12.382  -3.960
   96    H    CYS  14           H        CYS  14  -9.385  -4.289  -0.805
   97    HA   CYS  14           HA       CYS  14 -10.886  -5.074   1.568
   98   1HB   CYS  14          2HB       CYS  14  -9.044  -5.333   2.918
   99   2HB   CYS  14          1HB       CYS  14  -8.388  -5.920   1.400
  100    H    ASN  15           H        ASN  15 -12.028  -3.401   2.184
  101    HA   ASN  15           HA       ASN  15 -11.042  -0.681   1.635
  102   1HB   ASN  15          2HB       ASN  15 -13.589  -1.924   1.377
  103   2HB   ASN  15          1HB       ASN  15 -13.727  -0.652   2.567
  104   1HD2  ASN  15          1HD2      ASN  15 -11.866   1.139   1.580
  105   2HD2  ASN  15          2HD2      ASN  15 -12.445   1.778   0.083
  106    H    LYS  16           H        LYS  16 -12.434  -2.742   4.092
  107    HA   LYS  16           HA       LYS  16 -12.973  -1.215   6.193
  108   1HB   LYS  16          2HB       LYS  16 -12.561  -3.037   7.624
  109   2HB   LYS  16          1HB       LYS  16 -12.954  -3.752   6.070
  110   1HG   LYS  16          2HG       LYS  16 -10.307  -3.606   7.460
  111   2HG   LYS  16          1HG       LYS  16 -11.161  -5.013   6.838
  112   1HD   LYS  16          2HD       LYS  16 -10.798  -4.096   4.528
  113   2HD   LYS  16          1HD       LYS  16  -9.752  -2.873   5.253
  114   1HE   LYS  16          2HE       LYS  16  -9.357  -5.841   5.101
  115   2HE   LYS  16          1HE       LYS  16  -8.279  -4.553   4.564
  116   1HZ   LYS  16          1HZ       LYS  16  -7.426  -5.522   6.567
  117   2HZ   LYS  16          2HZ       LYS  16  -8.893  -5.288   7.374
  118   3HZ   LYS  16          3HZ       LYS  16  -7.958  -3.955   6.918
  119    H    MET  17           H        MET  17 -11.399   0.527   5.377
  120    HA   MET  17           HA       MET  17  -8.710   0.581   6.058
  121   1HB   MET  17          2HB       MET  17  -9.175   3.102   6.480
  122   2HB   MET  17          1HB       MET  17  -9.336   2.431   4.866
  123   1HG   MET  17          2HG       MET  17 -11.580   2.715   4.818
  124   2HG   MET  17          1HG       MET  17 -11.760   2.437   6.550
  125   1HE   MET  17          1HE       MET  17 -12.890   5.089   7.787
  126   2HE   MET  17          2HE       MET  17 -13.464   3.917   6.602
  127   3HE   MET  17          3HE       MET  17 -13.480   5.638   6.219
  128    H    LEU  18           H        LEU  18  -8.581  -0.626   7.978
  129    HA   LEU  18           HA       LEU  18  -8.268   0.937  10.297
  130   1HB   LEU  18          2HB       LEU  18  -9.951   0.049  11.731
  131   2HB   LEU  18          1HB       LEU  18 -10.749   0.650  10.291
  132    HG   LEU  18           HG       LEU  18 -10.189  -2.080   9.817
  133   1HD1  LEU  18          1HD1      LEU  18 -10.067  -2.908  11.903
  134   2HD1  LEU  18          2HD1      LEU  18 -11.823  -2.753  11.852
  135   3HD1  LEU  18          3HD1      LEU  18 -10.849  -1.502  12.625
  136   1HD2  LEU  18          1HD2      LEU  18 -12.054  -1.093   8.805
  137   2HD2  LEU  18          2HD2      LEU  18 -12.666  -0.467  10.334
  138   3HD2  LEU  18          3HD2      LEU  18 -12.739  -2.197   9.998
  139    H    GLY  19           H        GLY  19  -6.465  -0.490   9.064
  140   1HA   GLY  19          2HA       GLY  19  -5.990  -2.733  10.915
  141   2HA   GLY  19          1HA       GLY  19  -5.764  -2.967   9.188
  142    H    ASP  20           H        ASP  20  -3.605  -3.362   9.168
  143    HA   ASP  20           HA       ASP  20  -1.613  -2.190  10.664
  144   1HB   ASP  20          2HB       ASP  20  -1.318  -3.014   7.776
  145   2HB   ASP  20          1HB       ASP  20  -0.072  -2.992   9.016
  146    H    LEU  21           H        LEU  21   0.255  -0.999   9.358
  147    HA   LEU  21           HA       LEU  21  -0.805   1.296   7.889
  148   1HB   LEU  21          2HB       LEU  21  -0.841   1.978  10.240
  149   2HB   LEU  21          1HB       LEU  21   0.851   1.545  10.401
  150    HG   LEU  21           HG       LEU  21   1.550   3.346   9.027
  151   1HD1  LEU  21          1HD1      LEU  21  -1.218   3.238   8.056
  152   2HD1  LEU  21          2HD1      LEU  21   0.265   3.694   7.217
  153   3HD1  LEU  21          3HD1      LEU  21  -0.560   4.863   8.249
  154   1HD2  LEU  21          1HD2      LEU  21  -0.426   3.924  11.148
  155   2HD2  LEU  21          2HD2      LEU  21   0.060   5.274  10.121
  156   3HD2  LEU  21          3HD2      LEU  21   1.276   4.372  11.028
  157    H    ILE  22           H        ILE  22   0.296   1.034   6.070
  158    HA   ILE  22           HA       ILE  22   3.076   0.222   6.076
  159    HB   ILE  22           HB       ILE  22   1.967  -0.835   4.343
  160   1HG1  ILE  22          2HG1      ILE  22   3.930   0.732   3.582
  161   2HG1  ILE  22          1HG1      ILE  22   2.994  -0.209   2.430
  162   1HG2  ILE  22          1HG2      ILE  22   0.413   0.328   2.781
  163   2HG2  ILE  22          2HG2      ILE  22   0.495   1.721   3.859
  164   3HG2  ILE  22          3HG2      ILE  22  -0.155   0.188   4.443
  165   1HD1  ILE  22          1HD1      ILE  22   3.471   2.402   2.148
  166   2HD1  ILE  22          2HD1      ILE  22   1.952   2.479   3.031
  167   3HD1  ILE  22          3HD1      ILE  22   2.049   1.597   1.507
  168    H    CYS  23           H        CYS  23   4.714   1.433   4.867
  169    HA   CYS  23           HA       CYS  23   4.217   4.342   4.942
  170   1HB   CYS  23          2HB       CYS  23   7.036   3.702   5.071
  171   2HB   CYS  23          1HB       CYS  23   6.064   4.678   6.163
  172    H    ALA  24           H        ALA  24   3.655   4.543   2.814
  173    HA   ALA  24           HA       ALA  24   5.288   3.352   0.767
  174   1HB   ALA  24          1HB       ALA  24   3.677   4.894  -0.667
  175   2HB   ALA  24          2HB       ALA  24   2.753   4.893   0.835
  176   3HB   ALA  24          3HB       ALA  24   3.135   3.369   0.033
  177    H    VAL  25           H        VAL  25   6.236   4.563  -0.969
  178    HA   VAL  25           HA       VAL  25   6.858   7.360  -0.592
  179    HB   VAL  25           HB       VAL  25   9.133   5.376  -0.650
  180   1HG1  VAL  25          1HG1      VAL  25  10.499   7.115  -0.944
  181   2HG1  VAL  25          2HG1      VAL  25   9.678   8.069   0.291
  182   3HG1  VAL  25          3HG1      VAL  25   9.059   8.044  -1.359
  183   1HG2  VAL  25          1HG2      VAL  25   9.551   6.086   1.699
  184   2HG2  VAL  25          2HG2      VAL  25   8.068   5.154   1.490
  185   3HG2  VAL  25          3HG2      VAL  25   7.989   6.905   1.683
  186    H    ILE  26           H        ILE  26   7.440   8.358  -2.479
  187    HA   ILE  26           HA       ILE  26   7.939   6.679  -4.837
  188    HB   ILE  26           HB       ILE  26   6.473   8.955  -5.691
  189   1HG1  ILE  26          2HG1      ILE  26   5.492   8.912  -3.399
  190   2HG1  ILE  26          1HG1      ILE  26   4.310   8.639  -4.672
  191   1HG2  ILE  26          1HG2      ILE  26   6.605   6.149  -6.152
  192   2HG2  ILE  26          2HG2      ILE  26   5.972   7.421  -7.195
  193   3HG2  ILE  26          3HG2      ILE  26   4.915   6.636  -6.023
  194   1HD1  ILE  26          1HD1      ILE  26   4.994   6.991  -2.433
  195   2HD1  ILE  26          2HD1      ILE  26   5.223   6.104  -3.941
  196   3HD1  ILE  26          3HD1      ILE  26   3.660   6.836  -3.575
  197    H    GLY  27           H        GLY  27  10.097   7.321  -4.629
  198   1HA   GLY  27          2HA       GLY  27  11.924   8.539  -5.318
  199   2HA   GLY  27          1HA       GLY  27  10.805   9.644  -6.102
  200    H    ASP  28           H        ASP  28   9.418  10.816  -4.293
  201    HA   ASP  28           HA       ASP  28  10.946  11.591  -1.977
  202   1HB   ASP  28          2HB       ASP  28  10.848  14.039  -2.637
  203   2HB   ASP  28          1HB       ASP  28  12.021  13.061  -3.514
  204    H    ALA  29           H        ALA  29   8.307  10.436  -2.743
  205    HA   ALA  29           HA       ALA  29   6.623  12.398  -1.322
  206   1HB   ALA  29          1HB       ALA  29   5.553  12.559  -3.311
  207   2HB   ALA  29          2HB       ALA  29   4.767  11.085  -2.747
  208   3HB   ALA  29          3HB       ALA  29   6.123  10.987  -3.870
  209    H    LYS  30           H        LYS  30   7.217  11.247   0.601
  210    HA   LYS  30           HA       LYS  30   6.288   8.498   0.830
  211   1HB   LYS  30          2HB       LYS  30   7.362   8.531   3.027
  212   2HB   LYS  30          1HB       LYS  30   8.469   9.049   1.766
  213   1HG   LYS  30          2HG       LYS  30   7.010  11.247   3.010
  214   2HG   LYS  30          1HG       LYS  30   8.032  10.344   4.130
  215   1HD   LYS  30          2HD       LYS  30   8.935  11.521   1.502
  216   2HD   LYS  30          1HD       LYS  30   9.219  12.235   3.090
  217   1HE   LYS  30          2HE       LYS  30  10.323   9.675   1.967
  218   2HE   LYS  30          1HE       LYS  30  11.206  11.091   2.534
  219   1HZ   LYS  30          1HZ       LYS  30   9.684   9.159   4.193
  220   2HZ   LYS  30          2HZ       LYS  30  10.348  10.597   4.788
  221   3HZ   LYS  30          3HZ       LYS  30  11.360   9.388   4.175
  222    H    GLU  31           H        GLU  31   4.635   7.818   2.086
  223    HA   GLU  31           HA       GLU  31   3.228   9.567   3.886
  224   1HB   GLU  31          2HB       GLU  31   2.312  10.314   1.732
  225   2HB   GLU  31          1HB       GLU  31   1.871   8.658   1.339
  226   1HG   GLU  31          2HG       GLU  31   0.771   9.450   3.883
  227   2HG   GLU  31          1HG       GLU  31   0.299  10.568   2.605
  228    H    GLU  32           H        GLU  32   1.770   8.447   5.230
  229    HA   GLU  32           HA       GLU  32   2.080   5.531   5.116
  230   1HB   GLU  32          2HB       GLU  32   1.517   7.463   7.333
  231   2HB   GLU  32          1HB       GLU  32   1.051   5.778   7.502
  232   1HG   GLU  32          2HG       GLU  32   3.667   5.655   6.616
  233   2HG   GLU  32          1HG       GLU  32   3.654   7.012   7.740
  234    H    HIS  33           H        HIS  33   0.373   4.141   5.247
  235    HA   HIS  33           HA       HIS  33  -2.327   5.114   5.516
  236   1HB   HIS  33          2HB       HIS  33  -3.123   4.269   3.356
  237   2HB   HIS  33          1HB       HIS  33  -1.949   5.565   3.145
  238    HD1  HIS  33           1HD      HIS  33   0.224   5.009   1.978
  239    HD2  HIS  33           2HD      HIS  33  -2.206   1.696   2.591
  240    HE1  HIS  33           1HE      HIS  33   1.252   3.165   0.627
  241    HE2  HIS  33           2HE      HIS  33  -0.185   1.147   1.073
  242    H    ARG  34           H        ARG  34  -3.757   3.521   6.076
  243    HA   ARG  34           HA       ARG  34  -2.571   1.103   7.052
  244   1HB   ARG  34          2HB       ARG  34  -5.490   1.844   7.077
  245   2HB   ARG  34          1HB       ARG  34  -4.679   0.676   8.110
  246   1HG   ARG  34          2HG       ARG  34  -3.266   2.745   8.848
  247   2HG   ARG  34          1HG       ARG  34  -4.645   3.652   8.222
  248   1HD   ARG  34          2HD       ARG  34  -6.026   2.959   9.876
  249   2HD   ARG  34          1HD       ARG  34  -5.278   1.366   9.977
  250    HE   ARG  34           HE       ARG  34  -3.920   2.154  11.636
  251   1HH1  ARG  34          1HH1      ARG  34  -5.290   4.875   9.930
  252   2HH1  ARG  34          2HH1      ARG  34  -4.673   6.046  11.047
  253   1HH2  ARG  34          1HH2      ARG  34  -3.111   3.694  13.108
  254   2HH2  ARG  34          2HH2      ARG  34  -3.435   5.376  12.850
  255    H    ASN  35           H        ASN  35  -4.954   1.869   4.524
  256    HA   ASN  35           HA       ASN  35  -5.346  -0.913   3.914
  257   1HB   ASN  35          2HB       ASN  35  -6.518   1.632   3.062
  258   2HB   ASN  35          1HB       ASN  35  -6.402   0.437   1.772
  259   1HD2  ASN  35          1HD2      ASN  35  -8.714   1.544   3.302
  260   2HD2  ASN  35          2HD2      ASN  35  -9.547   0.161   3.910
  261    H    MET  36           H        MET  36  -2.958  -1.193   3.675
  262    HA   MET  36           HA       MET  36  -1.441  -0.234   1.576
  263   1HB   MET  36          2HB       MET  36  -0.340  -1.491   3.246
  264   2HB   MET  36          1HB       MET  36  -1.439  -2.846   3.068
  265   1HG   MET  36          2HG       MET  36   0.138  -2.170   0.680
  266   2HG   MET  36          1HG       MET  36   1.053  -2.772   2.063
  267   1HE   MET  36          1HE       MET  36   1.518  -4.750   2.547
  268   2HE   MET  36          2HE       MET  36   1.065  -6.231   1.702
  269   3HE   MET  36          3HE       MET  36   0.148  -5.704   3.114
  270    H    CYS  37           H        CYS  37  -4.093  -2.475   1.493
  271    HA   CYS  37           HA       CYS  37  -3.365  -3.697  -0.969
  272   1HB   CYS  37          2HB       CYS  37  -5.371  -4.871  -0.879
  273   2HB   CYS  37          1HB       CYS  37  -4.995  -4.595   0.815
  274    H    ALA  38           H        ALA  38  -5.713  -1.143  -0.178
  275    HA   ALA  38           HA       ALA  38  -6.541  -0.633  -2.805
  276   1HB   ALA  38          1HB       ALA  38  -7.668   0.245  -0.776
  277   2HB   ALA  38          2HB       ALA  38  -7.368   1.482  -1.997
  278   3HB   ALA  38          3HB       ALA  38  -6.335   1.381  -0.570
  279    H    LEU  39           H        LEU  39  -3.646   0.213  -1.127
  280    HA   LEU  39           HA       LEU  39  -2.872   2.225  -3.052
  281   1HB   LEU  39          2HB       LEU  39  -2.069   1.378  -0.454
  282   2HB   LEU  39          1HB       LEU  39  -0.670   1.283  -1.499
  283    HG   LEU  39           HG       LEU  39  -1.596   3.525  -0.157
  284   1HD1  LEU  39          1HD1      LEU  39   0.686   2.786  -1.300
  285   2HD1  LEU  39          2HD1      LEU  39   0.350   4.453  -0.832
  286   3HD1  LEU  39          3HD1      LEU  39   0.134   3.948  -2.505
  287   1HD2  LEU  39          1HD2      LEU  39  -2.254   5.127  -1.774
  288   2HD2  LEU  39          2HD2      LEU  39  -3.328   3.738  -1.938
  289   3HD2  LEU  39          3HD2      LEU  39  -2.016   3.979  -3.092
  290    H    CYS  40           H        CYS  40  -2.085  -1.085  -2.235
  291    HA   CYS  40           HA       CYS  40  -0.008  -1.470  -4.076
  292   1HB   CYS  40          2HB       CYS  40  -0.091  -3.721  -3.534
  293   2HB   CYS  40          1HB       CYS  40  -0.826  -2.990  -2.115
  294    H    CYS  41           H        CYS  41  -3.477  -1.513  -4.391
  295    HA   CYS  41           HA       CYS  41  -3.357  -2.586  -7.082
  296   1HB   CYS  41          2HB       CYS  41  -5.561  -3.031  -6.831
  297   2HB   CYS  41          1HB       CYS  41  -5.145  -2.905  -5.138
  298    H    GLU  42           H        GLU  42  -4.033   0.459  -5.462
  299    HA   GLU  42           HA       GLU  42  -4.444   1.733  -8.081
  300   1HB   GLU  42          2HB       GLU  42  -5.122   2.703  -5.309
  301   2HB   GLU  42          1HB       GLU  42  -5.359   3.644  -6.773
  302   1HG   GLU  42          2HG       GLU  42  -6.601   1.228  -7.314
  303   2HG   GLU  42          1HG       GLU  42  -6.997   1.557  -5.628
  304    H    HIS  43           H        HIS  43  -1.715   1.117  -6.910
  305    HA   HIS  43           HA       HIS  43  -0.688   3.769  -6.338
  306   1HB   HIS  43          2HB       HIS  43   1.550   2.618  -6.307
  307   2HB   HIS  43          1HB       HIS  43   0.378   2.049  -5.130
  308    HD1  HIS  43           1HD      HIS  43   0.586   0.923  -8.745
  309    HD2  HIS  43           2HD      HIS  43   1.184  -0.496  -4.892
  310    HE1  HIS  43           1HE      HIS  43   1.026  -1.541  -9.005
  311    HE2  HIS  43           2HE      HIS  43   1.360  -2.390  -6.654
  312    HA   PRO  44           HA       PRO  44   0.633   5.011 -10.314
  313   1HB   PRO  44          2HB       PRO  44   3.300   5.772  -9.386
  314   2HB   PRO  44          1HB       PRO  44   1.950   6.797  -9.877
  315   1HG   PRO  44          2HG       PRO  44   2.773   6.625  -7.312
  316   2HG   PRO  44          1HG       PRO  44   1.075   6.892  -7.751
  317   1HD   PRO  44          2HD       PRO  44   2.439   4.351  -6.922
  318   2HD   PRO  44          1HD       PRO  44   0.858   4.993  -6.426
  319    H    GLY  45           H        GLY  45   0.996   2.255 -10.214
  320   1HA   GLY  45          2HA       GLY  45   1.981   0.917 -11.908
  321   2HA   GLY  45          1HA       GLY  45   3.358   2.002 -11.927
  322    H    GLY  46           H        GLY  46   3.827   2.015  -9.097
  323   1HA   GLY  46          2HA       GLY  46   4.013  -0.199  -7.640
  324   2HA   GLY  46          1HA       GLY  46   5.142  -0.589  -8.927
  325    H    PHE  47           H        PHE  47   4.429   2.149  -6.776
  326    HA   PHE  47           HA       PHE  47   7.051   3.180  -6.762
  327   1HB   PHE  47          2HB       PHE  47   6.202   4.359  -4.641
  328   2HB   PHE  47          1HB       PHE  47   5.324   4.650  -6.138
  329    HD1  PHE  47           1HD      PHE  47   3.369   5.381  -4.892
  330    HD2  PHE  47           2HD      PHE  47   4.932   1.448  -4.444
  331    HE1  PHE  47           1HE      PHE  47   1.266   4.657  -3.850
  332    HE2  PHE  47           2HE      PHE  47   2.839   0.724  -3.401
  333    HZ   PHE  47           HZ       PHE  47   1.000   2.319  -3.112
  334    H    GLU  48           H        GLU  48   6.506   3.062  -3.497
  335    HA   GLU  48           HA       GLU  48   7.550   0.435  -2.965
  336   1HB   GLU  48          2HB       GLU  48   9.613   1.467  -1.814
  337   2HB   GLU  48          1HB       GLU  48   9.640   1.257  -3.559
  338   1HG   GLU  48          2HG       GLU  48   8.856   3.678  -3.692
  339   2HG   GLU  48          1HG       GLU  48   9.291   3.783  -1.987
  340    H    TYR  49           H        TYR  49   6.520  -0.151  -1.180
  341    HA   TYR  49           HA       TYR  49   6.323   1.758   1.069
  342   1HB   TYR  49          2HB       TYR  49   4.262   0.628   1.731
  343   2HB   TYR  49          1HB       TYR  49   4.088   1.635   0.327
  344    HD1  TYR  49           1HD      TYR  49   2.887   0.799  -1.430
  345    HD2  TYR  49           2HD      TYR  49   4.745  -1.911   1.262
  346    HE1  TYR  49           1HE      TYR  49   1.781  -1.067  -2.556
  347    HE2  TYR  49           2HE      TYR  49   3.654  -3.796   0.140
  348    HH   TYR  49           HH       TYR  49   1.179  -3.770  -1.484
  349    H    SER  50           H        SER  50   5.977   0.713   3.117
  350    HA   SER  50           HA       SER  50   6.880  -2.045   3.323
  351   1HB   SER  50          2HB       SER  50   8.553   0.281   3.959
  352   2HB   SER  50          1HB       SER  50   8.439  -0.900   5.263
  353    HG   SER  50           HG       SER  50   9.277  -2.446   3.936
  354    H    ASN  51           H        ASN  51   5.455  -2.953   4.639
  355    HA   ASN  51           HA       ASN  51   3.570  -1.642   6.137
  356   1HB   ASN  51          2HB       ASN  51   4.729  -4.343   6.815
  357   2HB   ASN  51          1HB       ASN  51   3.156  -3.716   7.300
  358   1HD2  ASN  51          1HD2      ASN  51   1.570  -4.575   6.194
  359   2HD2  ASN  51          2HD2      ASN  51   1.609  -5.028   4.528
  360    H    GLY  52           H        GLY  52   3.450  -0.736   8.074
  361   1HA   GLY  52          2HA       GLY  52   4.286  -0.888  10.456
  362   2HA   GLY  52          1HA       GLY  52   5.889  -0.755   9.749
  363    HA   PRO  53           HA       PRO  53   4.226   3.541  10.521
  364   1HB   PRO  53          2HB       PRO  53   5.132   4.144  12.941
  365   2HB   PRO  53          1HB       PRO  53   3.700   3.124  12.749
  366   1HG   PRO  53          2HG       PRO  53   6.503   2.350  13.424
  367   2HG   PRO  53          1HG       PRO  53   4.978   1.689  14.038
  368   1HD   PRO  53          2HD       PRO  53   6.551   0.589  11.990
  369   2HD   PRO  53          1HD       PRO  53   4.872   0.158  12.363
  370    H    CYS  54           H        CYS  54   5.518   4.646   9.115
  371    HA   CYS  54           HA       CYS  54   8.257   5.248  10.009
  372   1HB   CYS  54          2HB       CYS  54   7.598   5.077   7.086
  373   2HB   CYS  54          1HB       CYS  54   9.168   5.008   7.869
  374    H    GLU  55           H        GLU  55   5.790   6.252   7.639
  375    HA   GLU  55           HA       GLU  55   6.689   8.995   7.760
  376   1HB   GLU  55          2HB       GLU  55   4.688   7.465   6.158
  377   2HB   GLU  55          1HB       GLU  55   4.496   9.208   6.278
  378   1HG   GLU  55          2HG       GLU  55   5.729   8.611   4.287
  379   2HG   GLU  55          1HG       GLU  55   6.750   9.519   5.401
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1  11.041  -0.833   1.500
    2   2H    ALA   1          2H        ALA   1   9.636  -0.277   0.685
    3   3H    ALA   1          3H        ALA   1  11.121  -0.429  -0.163
    4    HA   ALA   1           HA       ALA   1  11.094  -2.775   0.154
    5   1HB   ALA   1          1HB       ALA   1   8.288  -2.665   1.138
    6   2HB   ALA   1          2HB       ALA   1   9.598  -2.409   2.291
    7   3HB   ALA   1          3HB       ALA   1   9.519  -3.908   1.365
    8    H    HIS   2           H        HIS   2  11.042  -1.510  -2.019
    9    HA   HIS   2           HA       HIS   2   8.577  -1.373  -3.435
   10   1HB   HIS   2          2HB       HIS   2  10.975  -0.265  -3.857
   11   2HB   HIS   2          1HB       HIS   2  11.148  -1.663  -4.911
   12    HD1  HIS   2           1HD      HIS   2   8.802  -1.910  -6.526
   13    HD2  HIS   2           2HD      HIS   2  10.025   1.844  -5.227
   14    HE1  HIS   2           1HE      HIS   2   7.730  -0.269  -8.102
   15    HE2  HIS   2           2HE      HIS   2   8.426   1.998  -7.254
   16    H    MET   3           H        MET   3   7.699  -3.500  -3.021
   17    HA   MET   3           HA       MET   3   8.216  -5.308  -5.147
   18   1HB   MET   3          2HB       MET   3   9.569  -5.796  -2.573
   19   2HB   MET   3          1HB       MET   3   8.760  -7.187  -3.280
   20   1HG   MET   3          2HG       MET   3  10.204  -5.913  -5.347
   21   2HG   MET   3          1HG       MET   3  11.273  -6.036  -3.952
   22   1HE   MET   3          1HE       MET   3  10.694  -8.144  -2.418
   23   2HE   MET   3          2HE       MET   3  11.278  -9.683  -3.051
   24   3HE   MET   3          3HE       MET   3   9.549  -9.331  -3.044
   25    H    ASP   4           H        ASP   4   7.406  -6.582  -1.983
   26    HA   ASP   4           HA       ASP   4   5.148  -7.910  -2.674
   27   1HB   ASP   4          2HB       ASP   4   6.177  -6.790  -0.131
   28   2HB   ASP   4          1HB       ASP   4   4.469  -7.227  -0.143
   29    H    CYS   5           H        CYS   5   3.507  -7.141  -3.849
   30    HA   CYS   5           HA       CYS   5   1.771  -5.157  -2.710
   31   1HB   CYS   5          2HB       CYS   5   3.700  -4.397  -4.751
   32   2HB   CYS   5          1HB       CYS   5   2.047  -4.089  -5.268
   33    H    THR   6           H        THR   6  -0.227  -4.894  -3.956
   34    HA   THR   6           HA       THR   6  -1.472  -7.219  -4.655
   35    HB   THR   6           HB       THR   6  -3.034  -5.741  -6.012
   36    HG1  THR   6           1HG      THR   6  -1.627  -4.132  -6.653
   37   1HG2  THR   6          1HG2      THR   6  -2.317  -5.091  -3.181
   38   2HG2  THR   6          2HG2      THR   6  -3.675  -6.035  -3.795
   39   3HG2  THR   6          3HG2      THR   6  -3.644  -4.285  -4.016
   40    H    GLU   7           H        GLU   7   0.723  -5.292  -6.706
   41    HA   GLU   7           HA       GLU   7   0.083  -5.935  -9.247
   42   1HB   GLU   7          2HB       GLU   7   2.527  -5.330  -7.828
   43   2HB   GLU   7          1HB       GLU   7   2.840  -6.458  -9.141
   44   1HG   GLU   7          2HG       GLU   7   2.933  -4.689 -10.472
   45   2HG   GLU   7          1HG       GLU   7   1.184  -4.574 -10.288
   46    H    PHE   8           H        PHE   8  -1.084  -7.915  -9.154
   47    HA   PHE   8           HA       PHE   8   0.498 -10.188  -9.909
   48   1HB   PHE   8          2HB       PHE   8  -0.007  -9.973  -7.214
   49   2HB   PHE   8          1HB       PHE   8  -1.362 -10.955  -7.756
   50    HD1  PHE   8           1HD      PHE   8  -0.908 -13.102  -7.011
   51    HD2  PHE   8           2HD      PHE   8   2.158 -10.880  -8.955
   52    HE1  PHE   8           1HE      PHE   8   0.538 -15.092  -6.998
   53    HE2  PHE   8           2HE      PHE   8   3.608 -12.867  -8.947
   54    HZ   PHE   8           HZ       PHE   8   2.798 -14.977  -7.968
   55    H    ASN   9           H        ASN   9  -1.793 -12.022  -9.299
   56    HA   ASN   9           HA       ASN   9  -3.284 -11.524 -11.669
   57   1HB   ASN   9          2HB       ASN   9  -3.050 -13.660  -9.713
   58   2HB   ASN   9          1HB       ASN   9  -4.728 -13.397 -10.181
   59   1HD2  ASN   9          1HD2      ASN   9  -1.760 -14.753 -11.036
   60   2HD2  ASN   9          2HD2      ASN   9  -2.169 -15.251 -12.639
   61    HA   PRO  10           HA       PRO  10  -6.798 -10.124  -8.834
   62   1HB   PRO  10          2HB       PRO  10  -6.889 -10.739  -6.255
   63   2HB   PRO  10          1HB       PRO  10  -7.132 -11.993  -7.478
   64   1HG   PRO  10          2HG       PRO  10  -4.753 -11.442  -5.778
   65   2HG   PRO  10          1HG       PRO  10  -5.374 -12.989  -6.375
   66   1HD   PRO  10          2HD       PRO  10  -3.270 -11.445  -7.489
   67   2HD   PRO  10          1HD       PRO  10  -4.028 -12.885  -8.191
   68    H    LEU  11           H        LEU  11  -6.067  -7.972  -9.148
   69    HA   LEU  11           HA       LEU  11  -4.195  -6.647  -7.538
   70   1HB   LEU  11          2HB       LEU  11  -6.518  -5.559  -9.124
   71   2HB   LEU  11          1HB       LEU  11  -5.306  -4.547  -8.363
   72    HG   LEU  11           HG       LEU  11  -4.648  -4.673 -10.607
   73   1HD1  LEU  11          1HD1      LEU  11  -2.550  -5.872 -10.593
   74   2HD1  LEU  11          2HD1      LEU  11  -3.080  -6.836  -9.215
   75   3HD1  LEU  11          3HD1      LEU  11  -2.813  -5.102  -9.029
   76   1HD2  LEU  11          1HD2      LEU  11  -4.999  -6.392 -12.026
   77   2HD2  LEU  11          2HD2      LEU  11  -6.177  -6.869 -10.803
   78   3HD2  LEU  11          3HD2      LEU  11  -4.578  -7.613 -10.826
   79    H    CYS  12           H        CYS  12  -4.817  -4.639  -6.217
   80    HA   CYS  12           HA       CYS  12  -5.485  -5.014  -3.782
   81   1HB   CYS  12          2HB       CYS  12  -6.591  -2.855  -3.574
   82   2HB   CYS  12          1HB       CYS  12  -5.208  -2.763  -4.653
   83    H    ARG  13           H        ARG  13  -6.681  -7.070  -4.254
   84    HA   ARG  13           HA       ARG  13  -9.598  -6.678  -4.179
   85   1HB   ARG  13          2HB       ARG  13  -7.824  -9.007  -4.825
   86   2HB   ARG  13          1HB       ARG  13  -9.464  -9.304  -4.268
   87   1HG   ARG  13          2HG       ARG  13  -9.120  -7.356  -6.469
   88   2HG   ARG  13          1HG       ARG  13  -8.843  -9.058  -6.838
   89   1HD   ARG  13          2HD       ARG  13 -11.149  -8.510  -7.282
   90   2HD   ARG  13          1HD       ARG  13 -11.062  -9.590  -5.892
   91    HE   ARG  13           HE       ARG  13 -11.910  -7.917  -4.573
   92   1HH1  ARG  13          1HH1      ARG  13 -10.898  -6.560  -7.624
   93   2HH1  ARG  13          2HH1      ARG  13 -11.611  -5.012  -7.316
   94   1HH2  ARG  13          1HH2      ARG  13 -12.853  -5.884  -4.167
   95   2HH2  ARG  13          2HH2      ARG  13 -12.721  -4.629  -5.352
   96    H    CYS  14           H        CYS  14  -7.836  -5.983  -2.017
   97    HA   CYS  14           HA       CYS  14  -8.801  -7.836   0.046
   98   1HB   CYS  14          2HB       CYS  14  -6.534  -6.362   0.972
   99   2HB   CYS  14          1HB       CYS  14  -6.705  -8.100   0.771
  100    H    ASN  15           H        ASN  15 -10.599  -6.719   0.620
  101    HA   ASN  15           HA       ASN  15 -10.722  -3.900   0.956
  102   1HB   ASN  15          2HB       ASN  15 -12.517  -6.105   1.037
  103   2HB   ASN  15          1HB       ASN  15 -12.719  -5.194   2.526
  104   1HD2  ASN  15          1HD2      ASN  15 -12.138  -2.642   1.591
  105   2HD2  ASN  15          2HD2      ASN  15 -13.396  -2.147   0.516
  106    H    LYS  16           H        LYS  16 -10.340  -6.595   3.154
  107    HA   LYS  16           HA       LYS  16 -10.629  -5.985   5.606
  108   1HB   LYS  16          2HB       LYS  16  -9.214  -7.853   4.994
  109   2HB   LYS  16          1HB       LYS  16  -7.896  -6.759   4.594
  110   1HG   LYS  16          2HG       LYS  16  -7.190  -6.736   6.700
  111   2HG   LYS  16          1HG       LYS  16  -8.792  -6.290   7.289
  112   1HD   LYS  16          2HD       LYS  16  -9.378  -8.454   7.738
  113   2HD   LYS  16          1HD       LYS  16  -8.358  -9.111   6.456
  114   1HE   LYS  16          2HE       LYS  16  -6.428  -8.975   7.759
  115   2HE   LYS  16          1HE       LYS  16  -7.153  -7.824   8.880
  116   1HZ   LYS  16          1HZ       LYS  16  -7.242  -9.741  10.094
  117   2HZ   LYS  16          2HZ       LYS  16  -7.467 -10.738   8.746
  118   3HZ   LYS  16          3HZ       LYS  16  -8.755  -9.814   9.338
  119    H    MET  17           H        MET  17 -10.849  -3.528   5.012
  120    HA   MET  17           HA       MET  17  -8.575  -1.875   5.349
  121   1HB   MET  17          2HB       MET  17 -10.331  -0.156   6.082
  122   2HB   MET  17          1HB       MET  17 -10.406  -0.774   4.438
  123   1HG   MET  17          2HG       MET  17 -12.265  -2.123   4.911
  124   2HG   MET  17          1HG       MET  17 -12.038  -1.963   6.652
  125   1HE   MET  17          1HE       MET  17 -14.834  -1.658   5.396
  126   2HE   MET  17          2HE       MET  17 -14.263  -0.993   3.866
  127   3HE   MET  17          3HE       MET  17 -15.340  -0.046   4.891
  128    H    LEU  18           H        LEU  18  -7.492  -2.883   7.032
  129    HA   LEU  18           HA       LEU  18  -8.656  -2.579   9.706
  130   1HB   LEU  18          2HB       LEU  18  -7.253  -4.263  10.478
  131   2HB   LEU  18          1HB       LEU  18  -7.752  -4.818   8.892
  132    HG   LEU  18           HG       LEU  18  -5.329  -3.344   8.596
  133   1HD1  LEU  18          1HD1      LEU  18  -5.120  -5.570  10.613
  134   2HD1  LEU  18          2HD1      LEU  18  -5.015  -3.853  11.004
  135   3HD1  LEU  18          3HD1      LEU  18  -3.803  -4.595   9.958
  136   1HD2  LEU  18          1HD2      LEU  18  -6.080  -6.242   8.295
  137   2HD2  LEU  18          2HD2      LEU  18  -4.515  -5.585   7.816
  138   3HD2  LEU  18          3HD2      LEU  18  -5.989  -5.012   7.035
  139    H    GLY  19           H        GLY  19  -6.608  -2.451  11.302
  140   1HA   GLY  19          2HA       GLY  19  -5.670   0.259  10.883
  141   2HA   GLY  19          1HA       GLY  19  -5.481  -0.693  12.345
  142    H    ASP  20           H        ASP  20  -4.325  -0.765   8.945
  143    HA   ASP  20           HA       ASP  20  -1.822  -1.911   9.812
  144   1HB   ASP  20          2HB       ASP  20  -2.138  -0.877   7.059
  145   2HB   ASP  20          1HB       ASP  20  -1.426  -2.379   7.613
  146    H    LEU  21           H        LEU  21   0.228  -0.886   9.028
  147    HA   LEU  21           HA       LEU  21   0.146   2.006   8.927
  148   1HB   LEU  21          2HB       LEU  21   2.197   1.695  10.576
  149   2HB   LEU  21          1HB       LEU  21   0.552   1.911  11.139
  150    HG   LEU  21           HG       LEU  21   0.385  -0.595  11.304
  151   1HD1  LEU  21          1HD1      LEU  21   3.222  -0.313  10.477
  152   2HD1  LEU  21          2HD1      LEU  21   2.037  -1.546  10.050
  153   3HD1  LEU  21          3HD1      LEU  21   2.804  -1.570  11.639
  154   1HD2  LEU  21          1HD2      LEU  21   0.601   0.493  13.342
  155   2HD2  LEU  21          2HD2      LEU  21   2.235   1.051  12.986
  156   3HD2  LEU  21          3HD2      LEU  21   1.945  -0.648  13.359
  157    H    ILE  22           H        ILE  22   0.652   1.039   6.663
  158    HA   ILE  22           HA       ILE  22   3.366   0.149   6.289
  159    HB   ILE  22           HB       ILE  22   2.009  -0.765   4.650
  160   1HG1  ILE  22          2HG1      ILE  22   3.994   0.600   3.727
  161   2HG1  ILE  22          1HG1      ILE  22   2.790  -0.027   2.606
  162   1HG2  ILE  22          1HG2      ILE  22   0.408   0.653   3.290
  163   2HG2  ILE  22          2HG2      ILE  22   0.635   1.884   4.529
  164   3HG2  ILE  22          3HG2      ILE  22  -0.035   0.310   4.961
  165   1HD1  ILE  22          1HD1      ILE  22   3.034   2.102   1.830
  166   2HD1  ILE  22          2HD1      ILE  22   3.323   2.762   3.434
  167   3HD1  ILE  22          3HD1      ILE  22   1.698   2.324   2.956
  168    H    CYS  23           H        CYS  23   5.020   1.296   5.245
  169    HA   CYS  23           HA       CYS  23   4.717   4.230   5.401
  170   1HB   CYS  23          2HB       CYS  23   7.288   2.638   5.464
  171   2HB   CYS  23          1HB       CYS  23   7.095   4.357   5.794
  172    H    ALA  24           H        ALA  24   3.861   4.482   3.317
  173    HA   ALA  24           HA       ALA  24   5.188   3.356   1.051
  174   1HB   ALA  24          1HB       ALA  24   3.345   5.497   0.433
  175   2HB   ALA  24          2HB       ALA  24   2.661   4.309   1.542
  176   3HB   ALA  24          3HB       ALA  24   3.302   3.792  -0.017
  177    H    VAL  25           H        VAL  25   6.097   4.465  -0.677
  178    HA   VAL  25           HA       VAL  25   6.902   7.231  -0.414
  179    HB   VAL  25           HB       VAL  25   9.031   5.087  -0.453
  180   1HG1  VAL  25          1HG1      VAL  25   9.651   7.094  -1.684
  181   2HG1  VAL  25          2HG1      VAL  25  10.585   6.963  -0.195
  182   3HG1  VAL  25          3HG1      VAL  25   9.234   8.091  -0.291
  183   1HG2  VAL  25          1HG2      VAL  25   8.110   6.898   1.771
  184   2HG2  VAL  25          2HG2      VAL  25   9.626   5.997   1.796
  185   3HG2  VAL  25          3HG2      VAL  25   8.089   5.134   1.743
  186    H    ILE  26           H        ILE  26   7.420   8.147  -2.257
  187    HA   ILE  26           HA       ILE  26   7.545   6.504  -4.696
  188    HB   ILE  26           HB       ILE  26   6.770   8.946  -5.629
  189   1HG1  ILE  26          2HG1      ILE  26   6.351   9.580  -3.186
  190   2HG1  ILE  26          1HG1      ILE  26   5.065   9.911  -4.338
  191   1HG2  ILE  26          1HG2      ILE  26   5.830   6.362  -5.675
  192   2HG2  ILE  26          2HG2      ILE  26   5.200   7.721  -6.602
  193   3HG2  ILE  26          3HG2      ILE  26   4.459   7.286  -5.065
  194   1HD1  ILE  26          1HD1      ILE  26   5.196   7.708  -2.302
  195   2HD1  ILE  26          2HD1      ILE  26   4.001   7.758  -3.597
  196   3HD1  ILE  26          3HD1      ILE  26   4.051   9.045  -2.391
  197    H    GLY  27           H        GLY  27   8.381   8.172  -6.489
  198   1HA   GLY  27          2HA       GLY  27  11.036   8.365  -6.436
  199   2HA   GLY  27          1HA       GLY  27  10.071   9.610  -7.215
  200    H    ASP  28           H        ASP  28   8.902  10.597  -4.744
  201    HA   ASP  28           HA       ASP  28  11.007  11.366  -2.987
  202   1HB   ASP  28          2HB       ASP  28  11.053  13.745  -3.519
  203   2HB   ASP  28          1HB       ASP  28  11.541  12.793  -4.918
  204    H    ALA  29           H        ALA  29   8.198  10.287  -2.907
  205    HA   ALA  29           HA       ALA  29   7.196  12.301  -1.001
  206   1HB   ALA  29          1HB       ALA  29   6.025  11.795  -3.486
  207   2HB   ALA  29          2HB       ALA  29   5.348  12.720  -2.146
  208   3HB   ALA  29          3HB       ALA  29   4.991  10.999  -2.299
  209    H    LYS  30           H        LYS  30   6.938  11.408   0.942
  210    HA   LYS  30           HA       LYS  30   6.353   8.522   1.064
  211   1HB   LYS  30          2HB       LYS  30   7.394   8.618   3.347
  212   2HB   LYS  30          1HB       LYS  30   8.500   8.910   2.012
  213   1HG   LYS  30          2HG       LYS  30   8.656  11.191   2.484
  214   2HG   LYS  30          1HG       LYS  30   7.206  11.172   3.490
  215   1HD   LYS  30          2HD       LYS  30   9.229  11.332   4.854
  216   2HD   LYS  30          1HD       LYS  30   8.373   9.820   5.157
  217   1HE   LYS  30          2HE       LYS  30  10.340   8.816   4.823
  218   2HE   LYS  30          1HE       LYS  30  10.092   9.160   3.112
  219   1HZ   LYS  30          1HZ       LYS  30  11.417  11.080   4.934
  220   2HZ   LYS  30          2HZ       LYS  30  11.426  11.070   3.244
  221   3HZ   LYS  30          3HZ       LYS  30  12.278   9.886   4.099
  222    H    GLU  31           H        GLU  31   4.558   7.862   2.030
  223    HA   GLU  31           HA       GLU  31   3.244   9.435   4.068
  224   1HB   GLU  31          2HB       GLU  31   1.111   9.608   2.903
  225   2HB   GLU  31          1HB       GLU  31   2.368  10.437   1.995
  226   1HG   GLU  31          2HG       GLU  31   1.878   7.619   1.276
  227   2HG   GLU  31          1HG       GLU  31   0.597   8.768   0.888
  228    H    GLU  32           H        GLU  32   1.856   8.197   5.349
  229    HA   GLU  32           HA       GLU  32   2.118   5.319   4.960
  230   1HB   GLU  32          2HB       GLU  32   0.738   6.605   7.285
  231   2HB   GLU  32          1HB       GLU  32   1.550   5.047   7.209
  232   1HG   GLU  32          2HG       GLU  32   3.389   5.969   8.014
  233   2HG   GLU  32          1HG       GLU  32   3.467   7.036   6.612
  234    H    HIS  33           H        HIS  33   0.344   3.911   5.340
  235    HA   HIS  33           HA       HIS  33  -2.326   4.906   5.246
  236   1HB   HIS  33          2HB       HIS  33  -2.894   3.698   3.087
  237   2HB   HIS  33          1HB       HIS  33  -2.039   5.227   2.948
  238    HD1  HIS  33           1HD      HIS  33  -1.679   1.577   2.318
  239    HD2  HIS  33           2HD      HIS  33   0.562   5.050   1.918
  240    HE1  HIS  33           1HE      HIS  33   0.239   0.970   0.809
  241    HE2  HIS  33           2HE      HIS  33   1.485   3.126   0.459
  242    H    ARG  34           H        ARG  34  -3.926   3.126   5.062
  243    HA   ARG  34           HA       ARG  34  -2.980   0.864   6.653
  244   1HB   ARG  34          2HB       ARG  34  -5.594   2.210   6.245
  245   2HB   ARG  34          1HB       ARG  34  -5.619   0.501   6.649
  246   1HG   ARG  34          2HG       ARG  34  -5.782   1.533   8.711
  247   2HG   ARG  34          1HG       ARG  34  -4.064   1.158   8.590
  248   1HD   ARG  34          2HD       ARG  34  -5.154   3.810   7.718
  249   2HD   ARG  34          1HD       ARG  34  -4.744   3.497   9.403
  250    HE   ARG  34           HE       ARG  34  -2.499   2.761   8.136
  251   1HH1  ARG  34          1HH1      ARG  34  -4.470   5.634   7.897
  252   2HH1  ARG  34          2HH1      ARG  34  -3.144   6.658   7.462
  253   1HH2  ARG  34          1HH2      ARG  34  -0.755   4.111   7.566
  254   2HH2  ARG  34          2HH2      ARG  34  -1.037   5.793   7.274
  255    H    ASN  35           H        ASN  35  -5.362   1.282   4.011
  256    HA   ASN  35           HA       ASN  35  -5.182  -1.500   3.316
  257   1HB   ASN  35          2HB       ASN  35  -6.731   0.844   2.268
  258   2HB   ASN  35          1HB       ASN  35  -6.644  -0.640   1.322
  259   1HD2  ASN  35          1HD2      ASN  35  -7.357  -2.628   2.381
  260   2HD2  ASN  35          2HD2      ASN  35  -8.626  -2.542   3.549
  261    H    MET  36           H        MET  36  -2.781  -1.156   3.057
  262    HA   MET  36           HA       MET  36  -1.548   0.150   0.991
  263   1HB   MET  36          2HB       MET  36  -0.326  -0.995   2.727
  264   2HB   MET  36          1HB       MET  36  -0.941  -2.549   2.191
  265   1HG   MET  36          2HG       MET  36   0.302  -1.415  -0.047
  266   2HG   MET  36          1HG       MET  36   1.376  -1.097   1.313
  267   1HE   MET  36          1HE       MET  36  -0.899  -4.586   0.778
  268   2HE   MET  36          2HE       MET  36   0.177  -5.067  -0.534
  269   3HE   MET  36          3HE       MET  36  -0.678  -3.528  -0.615
  270    H    CYS  37           H        CYS  37  -3.569  -2.675   0.846
  271    HA   CYS  37           HA       CYS  37  -2.776  -3.752  -1.603
  272   1HB   CYS  37          2HB       CYS  37  -5.285  -3.794  -0.001
  273   2HB   CYS  37          1HB       CYS  37  -5.378  -4.323  -1.677
  274    H    ALA  38           H        ALA  38  -5.563  -1.625  -1.033
  275    HA   ALA  38           HA       ALA  38  -6.170  -1.041  -3.671
  276   1HB   ALA  38          1HB       ALA  38  -7.761  -0.349  -2.122
  277   2HB   ALA  38          2HB       ALA  38  -7.057   1.169  -2.677
  278   3HB   ALA  38          3HB       ALA  38  -6.569   0.486  -1.127
  279    H    LEU  39           H        LEU  39  -3.620   0.189  -1.664
  280    HA   LEU  39           HA       LEU  39  -2.996   2.418  -3.355
  281   1HB   LEU  39          2HB       LEU  39  -2.189   1.424  -0.838
  282   2HB   LEU  39          1HB       LEU  39  -0.746   1.587  -1.815
  283    HG   LEU  39           HG       LEU  39  -2.214   3.954  -2.224
  284   1HD1  LEU  39          1HD1      LEU  39  -1.966   4.550   0.402
  285   2HD1  LEU  39          2HD1      LEU  39  -2.551   2.889   0.486
  286   3HD1  LEU  39          3HD1      LEU  39  -3.480   4.106  -0.385
  287   1HD2  LEU  39          1HD2      LEU  39  -0.026   4.408  -2.255
  288   2HD2  LEU  39          2HD2      LEU  39   0.364   3.097  -1.147
  289   3HD2  LEU  39          3HD2      LEU  39  -0.204   4.643  -0.520
  290    H    CYS  40           H        CYS  40  -1.791  -0.868  -2.982
  291    HA   CYS  40           HA       CYS  40   0.401  -0.601  -4.731
  292   1HB   CYS  40          2HB       CYS  40  -1.218  -3.004  -3.892
  293   2HB   CYS  40          1HB       CYS  40   0.200  -3.121  -4.928
  294    H    CYS  41           H        CYS  41  -2.999  -1.148  -5.204
  295    HA   CYS  41           HA       CYS  41  -2.651  -1.763  -8.022
  296   1HB   CYS  41          2HB       CYS  41  -4.739  -2.626  -7.943
  297   2HB   CYS  41          1HB       CYS  41  -4.377  -2.695  -6.232
  298    H    GLU  42           H        GLU  42  -3.908   0.833  -6.013
  299    HA   GLU  42           HA       GLU  42  -4.735   2.366  -8.346
  300   1HB   GLU  42          2HB       GLU  42  -4.901   2.974  -5.400
  301   2HB   GLU  42          1HB       GLU  42  -5.501   4.040  -6.661
  302   1HG   GLU  42          2HG       GLU  42  -6.845   1.942  -7.413
  303   2HG   GLU  42          1HG       GLU  42  -6.542   1.396  -5.764
  304    H    HIS  43           H        HIS  43  -2.093   2.444  -6.040
  305    HA   HIS  43           HA       HIS  43  -1.239   5.089  -6.803
  306   1HB   HIS  43          2HB       HIS  43  -0.502   3.126  -4.793
  307   2HB   HIS  43          1HB       HIS  43   0.894   3.917  -5.498
  308    HD1  HIS  43           1HD      HIS  43  -2.467   4.938  -4.032
  309    HD2  HIS  43           2HD      HIS  43   1.453   6.281  -4.287
  310    HE1  HIS  43           1HE      HIS  43  -2.391   7.052  -2.673
  311    HE2  HIS  43           2HE      HIS  43   0.005   7.816  -2.794
  312    HA   PRO  44           HA       PRO  44   1.707   4.610  -9.976
  313   1HB   PRO  44          2HB       PRO  44   4.037   4.809  -8.141
  314   2HB   PRO  44          1HB       PRO  44   3.639   5.773  -9.564
  315   1HG   PRO  44          2HG       PRO  44   3.312   6.778  -7.122
  316   2HG   PRO  44          1HG       PRO  44   2.130   7.108  -8.405
  317   1HD   PRO  44          2HD       PRO  44   1.955   5.199  -6.103
  318   2HD   PRO  44          1HD       PRO  44   0.692   6.230  -6.805
  319    H    GLY  45           H        GLY  45   1.113   2.355 -10.226
  320   1HA   GLY  45          2HA       GLY  45   1.526   0.084 -10.320
  321   2HA   GLY  45          1HA       GLY  45   3.142   0.630 -10.742
  322    H    GLY  46           H        GLY  46   1.441   0.893  -7.640
  323   1HA   GLY  46          2HA       GLY  46   1.968   0.081  -5.560
  324   2HA   GLY  46          1HA       GLY  46   2.715  -1.282  -6.382
  325    H    PHE  47           H        PHE  47   3.644   2.060  -6.810
  326    HA   PHE  47           HA       PHE  47   6.204   2.136  -6.921
  327   1HB   PHE  47          2HB       PHE  47   6.319   4.171  -5.468
  328   2HB   PHE  47          1HB       PHE  47   5.051   4.196  -6.679
  329    HD1  PHE  47           1HD      PHE  47   5.552   5.626  -3.863
  330    HD2  PHE  47           2HD      PHE  47   2.945   2.571  -5.265
  331    HE1  PHE  47           1HE      PHE  47   3.931   6.198  -2.109
  332    HE2  PHE  47           2HE      PHE  47   1.330   3.141  -3.517
  333    HZ   PHE  47           HZ       PHE  47   1.818   4.964  -1.949
  334    H    GLU  48           H        GLU  48   6.005   3.076  -3.588
  335    HA   GLU  48           HA       GLU  48   7.271   0.547  -2.790
  336   1HB   GLU  48          2HB       GLU  48   9.112   1.975  -3.446
  337   2HB   GLU  48          1HB       GLU  48   8.509   3.278  -2.433
  338   1HG   GLU  48          2HG       GLU  48   9.067   2.147  -0.455
  339   2HG   GLU  48          1HG       GLU  48   9.295   0.617  -1.301
  340    H    TYR  49           H        TYR  49   7.501   0.251  -0.541
  341    HA   TYR  49           HA       TYR  49   6.236   1.997   1.356
  342   1HB   TYR  49          2HB       TYR  49   4.513   0.587   2.081
  343   2HB   TYR  49          1HB       TYR  49   4.280   0.789   0.371
  344    HD1  TYR  49           1HD      TYR  49   3.790  -1.457   2.767
  345    HD2  TYR  49           2HD      TYR  49   5.966  -1.161  -0.872
  346    HE1  TYR  49           1HE      TYR  49   3.713  -3.884   2.538
  347    HE2  TYR  49           2HE      TYR  49   5.901  -3.605  -1.106
  348    HH   TYR  49           HH       TYR  49   5.268  -5.651   1.317
  349    H    SER  50           H        SER  50   6.117   0.901   3.476
  350    HA   SER  50           HA       SER  50   8.178  -1.127   3.846
  351   1HB   SER  50          2HB       SER  50   8.440   1.075   5.762
  352   2HB   SER  50          1HB       SER  50   9.685   0.170   4.905
  353    HG   SER  50           HG       SER  50   9.011   2.603   4.427
  354    H    ASN  51           H        ASN  51   6.580  -2.501   4.538
  355    HA   ASN  51           HA       ASN  51   4.485  -1.959   6.220
  356   1HB   ASN  51          2HB       ASN  51   6.111  -4.475   6.016
  357   2HB   ASN  51          1HB       ASN  51   4.646  -4.344   6.972
  358   1HD2  ASN  51          1HD2      ASN  51   2.873  -3.111   5.564
  359   2HD2  ASN  51          2HD2      ASN  51   2.580  -3.869   4.041
  360    H    GLY  52           H        GLY  52   4.230  -1.503   8.211
  361   1HA   GLY  52          2HA       GLY  52   4.765  -1.836  10.573
  362   2HA   GLY  52          1HA       GLY  52   6.460  -1.870  10.114
  363    HA   PRO  53           HA       PRO  53   5.191   2.480  11.365
  364   1HB   PRO  53          2HB       PRO  53   6.423   2.682  13.741
  365   2HB   PRO  53          1HB       PRO  53   4.819   1.955  13.583
  366   1HG   PRO  53          2HG       PRO  53   7.485   0.623  13.845
  367   2HG   PRO  53          1HG       PRO  53   5.946   0.208  14.620
  368   1HD   PRO  53          2HD       PRO  53   6.939  -1.068  12.403
  369   2HD   PRO  53          1HD       PRO  53   5.213  -0.973  12.802
  370    H    CYS  54           H        CYS  54   6.412   3.837  10.210
  371    HA   CYS  54           HA       CYS  54   9.190   4.218  10.899
  372   1HB   CYS  54          2HB       CYS  54   9.318   4.175   8.098
  373   2HB   CYS  54          1HB       CYS  54  10.071   3.049   9.216
  374    H    GLU  55           H        GLU  55   6.382   5.168   9.006
  375    HA   GLU  55           HA       GLU  55   7.519   7.806   8.519
  376   1HB   GLU  55          2HB       GLU  55   5.410   6.169   7.305
  377   2HB   GLU  55          1HB       GLU  55   4.943   7.851   7.527
  378   1HG   GLU  55          2HG       GLU  55   5.914   7.427   5.320
  379   2HG   GLU  55          1HG       GLU  55   6.842   8.601   6.253
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1  11.883  -0.070  -2.831
    2   2H    ALA   1          2H        ALA   1  10.814   1.043  -2.084
    3   3H    ALA   1          3H        ALA   1  10.351   0.243  -3.531
    4    HA   ALA   1           HA       ALA   1  10.987  -1.775  -1.877
    5   1HB   ALA   1          1HB       ALA   1  10.885   0.215  -0.140
    6   2HB   ALA   1          2HB       ALA   1  10.266  -1.389   0.250
    7   3HB   ALA   1          3HB       ALA   1   9.154  -0.110  -0.238
    8    H    HIS   2           H        HIS   2   9.851  -1.860  -4.140
    9    HA   HIS   2           HA       HIS   2   6.948  -1.921  -3.874
   10   1HB   HIS   2          2HB       HIS   2   7.678  -2.776  -6.449
   11   2HB   HIS   2          1HB       HIS   2   7.037  -1.204  -5.997
   12    HD1  HIS   2           1HD      HIS   2  10.481  -2.844  -6.010
   13    HD2  HIS   2           2HD      HIS   2   8.642   0.775  -6.893
   14    HE1  HIS   2           1HE      HIS   2  12.315  -1.338  -6.836
   15    HE2  HIS   2           2HE      HIS   2  11.189   0.862  -7.315
   16    H    MET   3           H        MET   3   6.642  -3.753  -2.608
   17    HA   MET   3           HA       MET   3   7.315  -6.281  -3.974
   18   1HB   MET   3          2HB       MET   3   7.620  -5.966  -0.995
   19   2HB   MET   3          1HB       MET   3   8.168  -7.296  -2.008
   20   1HG   MET   3          2HG       MET   3   9.577  -5.401  -3.161
   21   2HG   MET   3          1HG       MET   3   9.349  -4.600  -1.607
   22   1HE   MET   3          1HE       MET   3  12.132  -7.795  -2.855
   23   2HE   MET   3          2HE       MET   3  12.572  -6.088  -2.836
   24   3HE   MET   3          3HE       MET   3  11.161  -6.625  -3.748
   25    H    ASP   4           H        ASP   4   6.371  -7.559  -1.311
   26    HA   ASP   4           HA       ASP   4   4.140  -8.790  -1.867
   27   1HB   ASP   4          2HB       ASP   4   5.443  -8.092   0.533
   28   2HB   ASP   4          1HB       ASP   4   3.727  -7.818   0.809
   29    H    CYS   5           H        CYS   5   2.873  -7.455  -3.342
   30    HA   CYS   5           HA       CYS   5   0.605  -6.340  -2.001
   31   1HB   CYS   5          2HB       CYS   5   0.716  -4.107  -2.820
   32   2HB   CYS   5          1HB       CYS   5   2.237  -4.441  -2.009
   33    H    THR   6           H        THR   6  -0.497  -4.888  -4.168
   34    HA   THR   6           HA       THR   6  -1.959  -6.539  -5.601
   35    HB   THR   6           HB       THR   6  -1.958  -4.058  -5.791
   36    HG1  THR   6           1HG      THR   6  -1.977  -5.559  -8.194
   37   1HG2  THR   6          1HG2      THR   6   0.352  -4.553  -7.644
   38   2HG2  THR   6          2HG2      THR   6   0.287  -3.485  -6.243
   39   3HG2  THR   6          3HG2      THR   6  -0.637  -3.098  -7.693
   40    H    GLU   7           H        GLU   7   1.447  -5.763  -6.423
   41    HA   GLU   7           HA       GLU   7   1.392  -7.553  -8.702
   42   1HB   GLU   7          2HB       GLU   7   3.626  -6.791  -9.109
   43   2HB   GLU   7          1HB       GLU   7   2.656  -5.391  -8.673
   44   1HG   GLU   7          2HG       GLU   7   3.960  -4.917  -6.948
   45   2HG   GLU   7          1HG       GLU   7   3.893  -6.574  -6.348
   46    H    PHE   8           H        PHE   8   0.703  -8.997  -6.553
   47    HA   PHE   8           HA       PHE   8   2.828 -10.916  -6.370
   48   1HB   PHE   8          2HB       PHE   8   2.810  -8.930  -4.459
   49   2HB   PHE   8          1HB       PHE   8   1.936 -10.232  -3.664
   50    HD1  PHE   8           1HD      PHE   8   3.402 -11.124  -2.106
   51    HD2  PHE   8           2HD      PHE   8   4.782 -10.346  -6.055
   52    HE1  PHE   8           1HE      PHE   8   5.543 -12.209  -1.569
   53    HE2  PHE   8           2HE      PHE   8   6.925 -11.430  -5.526
   54    HZ   PHE   8           HZ       PHE   8   7.309 -12.365  -3.279
   55    H    ASN   9           H        ASN   9   1.636 -12.112  -3.910
   56    HA   ASN   9           HA       ASN   9  -0.465 -13.547  -5.239
   57   1HB   ASN   9          2HB       ASN   9   0.068 -13.963  -2.339
   58   2HB   ASN   9          1HB       ASN   9  -0.260 -15.139  -3.603
   59   1HD2  ASN   9          1HD2      ASN   9   1.582 -14.793  -5.442
   60   2HD2  ASN   9          2HD2      ASN   9   3.177 -14.984  -4.805
   61    HA   PRO  10           HA       PRO  10  -3.299 -11.556  -2.025
   62   1HB   PRO  10          2HB       PRO  10  -2.405 -10.191   0.057
   63   2HB   PRO  10          1HB       PRO  10  -2.195 -11.947  -0.003
   64   1HG   PRO  10          2HG       PRO  10  -0.215  -9.780  -0.555
   65   2HG   PRO  10          1HG       PRO  10   0.013 -11.314   0.302
   66   1HD   PRO  10          2HD       PRO  10   0.654 -10.826  -2.378
   67   2HD   PRO  10          1HD       PRO  10   0.489 -12.423  -1.629
   68    H    LEU  11           H        LEU  11  -3.136 -10.278  -4.203
   69    HA   LEU  11           HA       LEU  11  -2.402  -7.507  -4.001
   70   1HB   LEU  11          2HB       LEU  11  -3.400  -7.323  -6.240
   71   2HB   LEU  11          1HB       LEU  11  -2.269  -8.660  -6.144
   72    HG   LEU  11           HG       LEU  11  -4.376 -10.108  -5.714
   73   1HD1  LEU  11          1HD1      LEU  11  -5.526  -7.503  -6.593
   74   2HD1  LEU  11          2HD1      LEU  11  -6.123  -8.654  -5.397
   75   3HD1  LEU  11          3HD1      LEU  11  -6.289  -9.005  -7.118
   76   1HD2  LEU  11          1HD2      LEU  11  -3.055 -10.347  -7.696
   77   2HD2  LEU  11          2HD2      LEU  11  -3.722  -8.864  -8.378
   78   3HD2  LEU  11          3HD2      LEU  11  -4.753 -10.280  -8.171
   79    H    CYS  12           H        CYS  12  -4.139  -5.852  -4.783
   80    HA   CYS  12           HA       CYS  12  -5.771  -4.903  -3.062
   81   1HB   CYS  12          2HB       CYS  12  -5.721  -4.695  -5.717
   82   2HB   CYS  12          1HB       CYS  12  -7.256  -5.512  -5.554
   83    H    ARG  13           H        ARG  13  -5.871  -7.077  -1.816
   84    HA   ARG  13           HA       ARG  13  -8.445  -8.421  -2.305
   85   1HB   ARG  13          2HB       ARG  13  -7.641 -10.220  -0.921
   86   2HB   ARG  13          1HB       ARG  13  -6.379  -9.831  -2.080
   87   1HG   ARG  13          2HG       ARG  13  -4.927  -9.429  -0.462
   88   2HG   ARG  13          1HG       ARG  13  -6.032  -8.307   0.330
   89   1HD   ARG  13          2HD       ARG  13  -6.000  -9.836   1.983
   90   2HD   ARG  13          1HD       ARG  13  -7.186 -10.659   0.972
   91    HE   ARG  13           HE       ARG  13  -4.425 -11.338   0.437
   92   1HH1  ARG  13          1HH1      ARG  13  -7.321 -12.136   2.222
   93   2HH1  ARG  13          2HH1      ARG  13  -6.855 -13.784   2.477
   94   1HH2  ARG  13          1HH2      ARG  13  -3.814 -13.503   0.779
   95   2HH2  ARG  13          2HH2      ARG  13  -4.866 -14.560   1.661
   96    H    CYS  14           H        CYS  14  -7.916  -5.740  -1.124
   97    HA   CYS  14           HA       CYS  14  -9.841  -5.822   0.947
   98   1HB   CYS  14          2HB       CYS  14  -7.962  -4.714   2.536
   99   2HB   CYS  14          1HB       CYS  14  -8.393  -6.417   2.589
  100    H    ASN  15           H        ASN  15 -10.926  -4.073   0.248
  101    HA   ASN  15           HA       ASN  15  -9.593  -1.874  -0.968
  102   1HB   ASN  15          2HB       ASN  15 -11.584  -1.544  -1.864
  103   2HB   ASN  15          1HB       ASN  15 -12.204  -2.895  -0.957
  104   1HD2  ASN  15          1HD2      ASN  15 -13.775  -2.520   0.437
  105   2HD2  ASN  15          2HD2      ASN  15 -14.345  -0.958   0.906
  106    H    LYS  16           H        LYS  16 -12.025  -1.097   1.352
  107    HA   LYS  16           HA       LYS  16 -10.118   0.658   2.690
  108   1HB   LYS  16          2HB       LYS  16 -12.361   1.504   1.837
  109   2HB   LYS  16          1HB       LYS  16 -13.102   0.571   3.132
  110   1HG   LYS  16          2HG       LYS  16 -11.333   1.920   4.586
  111   2HG   LYS  16          1HG       LYS  16 -11.510   3.064   3.255
  112   1HD   LYS  16          2HD       LYS  16 -13.918   3.117   3.596
  113   2HD   LYS  16          1HD       LYS  16 -13.778   1.916   4.881
  114   1HE   LYS  16          2HE       LYS  16 -13.807   3.786   6.171
  115   2HE   LYS  16          1HE       LYS  16 -12.077   3.723   5.840
  116   1HZ   LYS  16          1HZ       LYS  16 -12.183   5.494   4.444
  117   2HZ   LYS  16          2HZ       LYS  16 -13.474   5.900   5.458
  118   3HZ   LYS  16          3HZ       LYS  16 -13.773   5.183   3.956
  119    H    MET  17           H        MET  17 -10.568  -2.360   2.999
  120    HA   MET  17           HA       MET  17 -11.645  -2.988   5.476
  121   1HB   MET  17          2HB       MET  17 -10.559  -4.466   3.597
  122   2HB   MET  17          1HB       MET  17  -9.109  -4.298   4.578
  123   1HG   MET  17          2HG       MET  17  -9.807  -5.864   5.973
  124   2HG   MET  17          1HG       MET  17 -11.322  -5.006   6.249
  125   1HE   MET  17          1HE       MET  17 -13.173  -5.796   6.085
  126   2HE   MET  17          2HE       MET  17 -13.515  -7.482   5.692
  127   3HE   MET  17          3HE       MET  17 -13.884  -6.211   4.525
  128    H    LEU  18           H        LEU  18 -10.133  -3.851   7.338
  129    HA   LEU  18           HA       LEU  18  -8.962  -1.537   8.493
  130   1HB   LEU  18          2HB       LEU  18  -8.595  -2.832  10.430
  131   2HB   LEU  18          1HB       LEU  18 -10.105  -3.393   9.744
  132    HG   LEU  18           HG       LEU  18  -7.462  -4.806   9.877
  133   1HD1  LEU  18          1HD1      LEU  18 -10.053  -6.137  10.332
  134   2HD1  LEU  18          2HD1      LEU  18  -9.586  -4.899  11.500
  135   3HD1  LEU  18          3HD1      LEU  18  -8.528  -6.280  11.206
  136   1HD2  LEU  18          1HD2      LEU  18  -8.234  -6.485   8.339
  137   2HD2  LEU  18          2HD2      LEU  18  -8.259  -4.922   7.526
  138   3HD2  LEU  18          3HD2      LEU  18  -9.762  -5.636   8.112
  139    H    GLY  19           H        GLY  19  -7.478  -1.167   6.648
  140   1HA   GLY  19          2HA       GLY  19  -5.254  -2.835   6.159
  141   2HA   GLY  19          1HA       GLY  19  -5.374  -1.134   5.741
  142    H    ASP  20           H        ASP  20  -3.048  -2.535   6.683
  143    HA   ASP  20           HA       ASP  20  -2.630  -1.787   9.429
  144   1HB   ASP  20          2HB       ASP  20  -0.564  -2.684   7.427
  145   2HB   ASP  20          1HB       ASP  20  -0.476  -2.770   9.175
  146    H    LEU  21           H        LEU  21  -0.323  -0.748   9.747
  147    HA   LEU  21           HA       LEU  21  -0.519   1.892   8.540
  148   1HB   LEU  21          2HB       LEU  21   0.742   2.723  10.325
  149   2HB   LEU  21          1HB       LEU  21  -0.311   1.522  11.040
  150    HG   LEU  21           HG       LEU  21   2.656   1.349  10.568
  151   1HD1  LEU  21          1HD1      LEU  21   0.854   1.247  12.965
  152   2HD1  LEU  21          2HD1      LEU  21   2.160   2.380  12.615
  153   3HD1  LEU  21          3HD1      LEU  21   2.531   0.702  13.014
  154   1HD2  LEU  21          1HD2      LEU  21   1.667  -0.767   9.823
  155   2HD2  LEU  21          2HD2      LEU  21   0.811  -0.904  11.357
  156   3HD2  LEU  21          3HD2      LEU  21   2.572  -0.967  11.323
  157    H    ILE  22           H        ILE  22   0.220   1.290   6.480
  158    HA   ILE  22           HA       ILE  22   2.909   0.280   6.146
  159    HB   ILE  22           HB       ILE  22   1.515  -0.541   4.483
  160   1HG1  ILE  22          2HG1      ILE  22   3.602   0.867   3.637
  161   2HG1  ILE  22          1HG1      ILE  22   2.495   0.084   2.518
  162   1HG2  ILE  22          1HG2      ILE  22   0.062   1.061   3.102
  163   2HG2  ILE  22          2HG2      ILE  22   0.315   2.188   4.433
  164   3HG2  ILE  22          3HG2      ILE  22  -0.465   0.633   4.732
  165   1HD1  ILE  22          1HD1      ILE  22   2.309   2.974   3.347
  166   2HD1  ILE  22          2HD1      ILE  22   1.351   2.156   2.113
  167   3HD1  ILE  22          3HD1      ILE  22   3.081   2.391   1.874
  168    H    CYS  23           H        CYS  23   4.616   1.368   5.131
  169    HA   CYS  23           HA       CYS  23   4.439   4.312   5.324
  170   1HB   CYS  23          2HB       CYS  23   6.094   3.106   6.821
  171   2HB   CYS  23          1HB       CYS  23   6.962   2.651   5.361
  172    H    ALA  24           H        ALA  24   3.572   4.517   3.219
  173    HA   ALA  24           HA       ALA  24   4.922   3.399   0.964
  174   1HB   ALA  24          1HB       ALA  24   3.277   5.191  -0.154
  175   2HB   ALA  24          2HB       ALA  24   2.511   5.022   1.425
  176   3HB   ALA  24          3HB       ALA  24   2.749   3.603   0.405
  177    H    VAL  25           H        VAL  25   5.754   4.590  -0.792
  178    HA   VAL  25           HA       VAL  25   6.605   7.323  -0.418
  179    HB   VAL  25           HB       VAL  25   8.712   5.197  -0.796
  180   1HG1  VAL  25          1HG1      VAL  25   8.784   7.835  -1.481
  181   2HG1  VAL  25          2HG1      VAL  25  10.196   6.846  -1.109
  182   3HG1  VAL  25          3HG1      VAL  25   9.475   7.861   0.141
  183   1HG2  VAL  25          1HG2      VAL  25   7.909   6.687   1.693
  184   2HG2  VAL  25          2HG2      VAL  25   9.440   5.831   1.515
  185   3HG2  VAL  25          3HG2      VAL  25   7.919   4.942   1.437
  186    H    ILE  26           H        ILE  26   7.054   8.336  -2.322
  187    HA   ILE  26           HA       ILE  26   7.013   6.698  -4.769
  188    HB   ILE  26           HB       ILE  26   5.835   9.138  -5.462
  189   1HG1  ILE  26          2HG1      ILE  26   5.356   9.396  -2.998
  190   2HG1  ILE  26          1HG1      ILE  26   3.933   9.409  -4.033
  191   1HG2  ILE  26          1HG2      ILE  26   4.896   6.319  -5.220
  192   2HG2  ILE  26          2HG2      ILE  26   5.215   7.275  -6.667
  193   3HG2  ILE  26          3HG2      ILE  26   3.772   7.588  -5.701
  194   1HD1  ILE  26          1HD1      ILE  26   4.407   7.813  -1.789
  195   2HD1  ILE  26          2HD1      ILE  26   4.499   6.732  -3.180
  196   3HD1  ILE  26          3HD1      ILE  26   3.057   7.712  -2.918
  197    H    GLY  27           H        GLY  27   9.241   6.958  -4.929
  198   1HA   GLY  27          2HA       GLY  27  11.116   7.895  -5.875
  199   2HA   GLY  27          1HA       GLY  27  10.101   9.232  -6.400
  200    H    ASP  28           H        ASP  28   9.267  10.481  -4.319
  201    HA   ASP  28           HA       ASP  28  11.288  10.805  -2.288
  202   1HB   ASP  28          2HB       ASP  28  10.745  12.962  -4.334
  203   2HB   ASP  28          1HB       ASP  28  11.533  13.269  -2.790
  204    H    ALA  29           H        ALA  29   8.369  10.189  -2.638
  205    HA   ALA  29           HA       ALA  29   7.351  12.279  -0.819
  206   1HB   ALA  29          1HB       ALA  29   5.953  12.765  -2.522
  207   2HB   ALA  29          2HB       ALA  29   5.070  11.358  -1.931
  208   3HB   ALA  29          3HB       ALA  29   6.177  11.196  -3.295
  209    H    LYS  30           H        LYS  30   8.005  10.967   0.944
  210    HA   LYS  30           HA       LYS  30   6.804   8.339   1.210
  211   1HB   LYS  30          2HB       LYS  30   8.036   8.323   3.406
  212   2HB   LYS  30          1HB       LYS  30   9.052   8.486   1.981
  213   1HG   LYS  30          2HG       LYS  30   9.334  10.833   2.376
  214   2HG   LYS  30          1HG       LYS  30   8.164  10.795   3.695
  215   1HD   LYS  30          2HD       LYS  30  10.340  10.804   4.670
  216   2HD   LYS  30          1HD       LYS  30   9.679   9.180   4.872
  217   1HE   LYS  30          2HE       LYS  30  11.720   8.591   4.087
  218   2HE   LYS  30          1HE       LYS  30  10.925   8.839   2.534
  219   1HZ   LYS  30          1HZ       LYS  30  12.984  10.424   3.837
  220   2HZ   LYS  30          2HZ       LYS  30  11.786  11.297   3.022
  221   3HZ   LYS  30          3HZ       LYS  30  12.707  10.148   2.191
  222    H    GLU  31           H        GLU  31   5.060   7.856   2.369
  223    HA   GLU  31           HA       GLU  31   4.113   9.493   4.528
  224   1HB   GLU  31          2HB       GLU  31   3.011   9.814   1.842
  225   2HB   GLU  31          1HB       GLU  31   1.784   9.389   3.028
  226   1HG   GLU  31          2HG       GLU  31   3.137  11.319   4.358
  227   2HG   GLU  31          1HG       GLU  31   3.314  11.867   2.692
  228    H    GLU  32           H        GLU  32   2.447   8.459   5.745
  229    HA   GLU  32           HA       GLU  32   2.580   5.619   5.661
  230   1HB   GLU  32          2HB       GLU  32   1.174   7.631   7.338
  231   2HB   GLU  32          1HB       GLU  32   0.534   5.993   7.334
  232   1HG   GLU  32          2HG       GLU  32   3.429   6.127   7.687
  233   2HG   GLU  32          1HG       GLU  32   2.510   6.918   8.966
  234    H    HIS  33           H        HIS  33   0.502   4.310   5.819
  235    HA   HIS  33           HA       HIS  33  -1.736   5.245   4.301
  236   1HB   HIS  33          2HB       HIS  33   0.396   3.718   2.986
  237   2HB   HIS  33          1HB       HIS  33  -1.213   3.033   2.764
  238    HD1  HIS  33           1HD      HIS  33   0.769   4.780   0.735
  239    HD2  HIS  33           2HD      HIS  33  -2.873   5.811   2.413
  240    HE1  HIS  33           1HE      HIS  33  -0.157   6.587  -0.746
  241    HE2  HIS  33           2HE      HIS  33  -2.318   7.274   0.353
  242    H    ARG  34           H        ARG  34  -3.504   3.826   4.343
  243    HA   ARG  34           HA       ARG  34  -3.348   1.866   6.509
  244   1HB   ARG  34          2HB       ARG  34  -5.704   3.199   5.181
  245   2HB   ARG  34          1HB       ARG  34  -5.844   1.975   6.435
  246   1HG   ARG  34          2HG       ARG  34  -4.555   4.682   6.716
  247   2HG   ARG  34          1HG       ARG  34  -6.110   4.180   7.382
  248   1HD   ARG  34          2HD       ARG  34  -3.413   3.034   8.096
  249   2HD   ARG  34          1HD       ARG  34  -4.371   4.131   9.088
  250    HE   ARG  34           HE       ARG  34  -4.748   1.300   8.773
  251   1HH1  ARG  34          1HH1      ARG  34  -6.302   4.316   9.586
  252   2HH1  ARG  34          2HH1      ARG  34  -7.547   3.565  10.527
  253   1HH2  ARG  34          1HH2      ARG  34  -6.386   0.310  10.009
  254   2HH2  ARG  34          2HH2      ARG  34  -7.595   1.291  10.768
  255    H    ASN  35           H        ASN  35  -5.231   2.086   3.487
  256    HA   ASN  35           HA       ASN  35  -5.353  -0.783   3.273
  257   1HB   ASN  35          2HB       ASN  35  -6.177   1.226   1.173
  258   2HB   ASN  35          1HB       ASN  35  -6.760  -0.423   1.377
  259   1HD2  ASN  35          1HD2      ASN  35  -7.672  -0.789   3.686
  260   2HD2  ASN  35          2HD2      ASN  35  -8.791   0.414   4.221
  261    H    MET  36           H        MET  36  -2.937  -0.814   3.317
  262    HA   MET  36           HA       MET  36  -1.262   0.013   1.305
  263   1HB   MET  36          2HB       MET  36  -0.032  -0.909   2.962
  264   2HB   MET  36          1HB       MET  36  -1.276  -2.074   3.372
  265   1HG   MET  36          2HG       MET  36   0.324  -3.499   2.661
  266   2HG   MET  36          1HG       MET  36  -0.439  -3.189   1.107
  267   1HE   MET  36          1HE       MET  36   3.426  -1.612   2.809
  268   2HE   MET  36          2HE       MET  36   3.326  -3.344   2.499
  269   3HE   MET  36          3HE       MET  36   2.153  -2.571   3.565
  270    H    CYS  37           H        CYS  37  -3.322  -2.837   1.399
  271    HA   CYS  37           HA       CYS  37  -2.353  -3.961  -1.024
  272   1HB   CYS  37          2HB       CYS  37  -4.604  -5.222  -0.932
  273   2HB   CYS  37          1HB       CYS  37  -3.451  -5.497   0.370
  274    H    ALA  38           H        ALA  38  -5.248  -2.063  -0.261
  275    HA   ALA  38           HA       ALA  38  -6.111  -1.906  -2.959
  276   1HB   ALA  38          1HB       ALA  38  -7.668  -1.587  -1.100
  277   2HB   ALA  38          2HB       ALA  38  -7.669  -0.188  -2.171
  278   3HB   ALA  38          3HB       ALA  38  -6.815  -0.119  -0.630
  279    H    LEU  39           H        LEU  39  -3.547  -0.507  -1.341
  280    HA   LEU  39           HA       LEU  39  -3.468   1.964  -2.842
  281   1HB   LEU  39          2HB       LEU  39  -2.539   1.266  -0.430
  282   2HB   LEU  39          1HB       LEU  39  -1.110   0.948  -1.372
  283    HG   LEU  39           HG       LEU  39  -2.186   3.485  -0.454
  284   1HD1  LEU  39          1HD1      LEU  39   0.207   4.121  -1.207
  285   2HD1  LEU  39          2HD1      LEU  39   0.410   2.385  -1.442
  286   3HD1  LEU  39          3HD1      LEU  39  -0.005   3.016   0.151
  287   1HD2  LEU  39          1HD2      LEU  39  -1.589   3.159  -3.383
  288   2HD2  LEU  39          2HD2      LEU  39  -1.429   4.705  -2.549
  289   3HD2  LEU  39          3HD2      LEU  39  -2.998   3.903  -2.628
  290    H    CYS  40           H        CYS  40  -1.526  -0.992  -2.623
  291    HA   CYS  40           HA       CYS  40   0.153  -0.214  -4.766
  292   1HB   CYS  40          2HB       CYS  40   0.263  -2.218  -2.935
  293   2HB   CYS  40          1HB       CYS  40  -0.228  -3.105  -4.374
  294    H    CYS  41           H        CYS  41  -2.924  -1.886  -4.529
  295    HA   CYS  41           HA       CYS  41  -2.942  -2.770  -7.233
  296   1HB   CYS  41          2HB       CYS  41  -4.990  -3.609  -6.780
  297   2HB   CYS  41          1HB       CYS  41  -4.380  -3.429  -5.145
  298    H    GLU  42           H        GLU  42  -4.052   0.122  -5.580
  299    HA   GLU  42           HA       GLU  42  -4.897   1.282  -8.158
  300   1HB   GLU  42          2HB       GLU  42  -5.662   1.851  -5.321
  301   2HB   GLU  42          1HB       GLU  42  -5.853   3.101  -6.542
  302   1HG   GLU  42          2HG       GLU  42  -7.127   0.376  -6.529
  303   2HG   GLU  42          1HG       GLU  42  -7.925   1.927  -6.273
  304    H    HIS  43           H        HIS  43  -2.108   1.086  -6.931
  305    HA   HIS  43           HA       HIS  43  -1.291   3.791  -6.411
  306   1HB   HIS  43          2HB       HIS  43   0.967   2.849  -6.339
  307   2HB   HIS  43          1HB       HIS  43  -0.140   1.859  -5.408
  308    HD1  HIS  43           1HD      HIS  43  -0.717   1.101  -8.867
  309    HD2  HIS  43           2HD      HIS  43   2.109   0.000  -6.029
  310    HE1  HIS  43           1HE      HIS  43   0.353  -0.987  -9.765
  311    HE2  HIS  43           2HE      HIS  43   2.128  -1.580  -8.080
  312    HA   PRO  44           HA       PRO  44  -0.116   5.332 -10.357
  313   1HB   PRO  44          2HB       PRO  44   2.735   5.536  -9.605
  314   2HB   PRO  44          1HB       PRO  44   1.599   6.809 -10.063
  315   1HG   PRO  44          2HG       PRO  44   2.415   6.530  -7.533
  316   2HG   PRO  44          1HG       PRO  44   0.752   7.012  -7.918
  317   1HD   PRO  44          2HD       PRO  44   1.807   4.332  -7.084
  318   2HD   PRO  44          1HD       PRO  44   0.315   5.159  -6.584
  319    H    GLY  45           H        GLY  45   2.848   3.567  -9.424
  320   1HA   GLY  45          2HA       GLY  45   2.401   1.588 -11.491
  321   2HA   GLY  45          1HA       GLY  45   3.720   2.699 -11.820
  322    H    GLY  46           H        GLY  46   2.582   0.963  -8.917
  323   1HA   GLY  46          2HA       GLY  46   3.687  -0.473  -7.493
  324   2HA   GLY  46          1HA       GLY  46   4.809  -0.787  -8.805
  325    H    PHE  47           H        PHE  47   4.018   2.067  -6.829
  326    HA   PHE  47           HA       PHE  47   6.661   3.019  -6.766
  327   1HB   PHE  47          2HB       PHE  47   5.779   4.347  -4.734
  328   2HB   PHE  47          1HB       PHE  47   5.021   4.623  -6.294
  329    HD1  PHE  47           1HD      PHE  47   4.261   1.550  -4.466
  330    HD2  PHE  47           2HD      PHE  47   3.067   5.570  -5.206
  331    HE1  PHE  47           1HE      PHE  47   2.057   1.071  -3.491
  332    HE2  PHE  47           2HE      PHE  47   0.860   5.094  -4.231
  333    HZ   PHE  47           HZ       PHE  47   0.354   2.844  -3.373
  334    H    GLU  48           H        GLU  48   5.838   3.013  -3.506
  335    HA   GLU  48           HA       GLU  48   6.872   0.393  -2.872
  336   1HB   GLU  48          2HB       GLU  48   8.918   1.112  -1.794
  337   2HB   GLU  48          1HB       GLU  48   8.939   1.585  -3.488
  338   1HG   GLU  48          2HG       GLU  48   7.836   3.684  -1.864
  339   2HG   GLU  48          1HG       GLU  48   9.419   3.194  -1.262
  340    H    TYR  49           H        TYR  49   7.228   0.151  -0.522
  341    HA   TYR  49           HA       TYR  49   5.974   2.002   1.304
  342   1HB   TYR  49          2HB       TYR  49   4.289   0.327   2.021
  343   2HB   TYR  49          1HB       TYR  49   3.963   1.059   0.459
  344    HD1  TYR  49           1HD      TYR  49   3.385  -0.355  -1.301
  345    HD2  TYR  49           2HD      TYR  49   5.653  -1.886   1.952
  346    HE1  TYR  49           1HE      TYR  49   3.231  -2.612  -2.252
  347    HE2  TYR  49           2HE      TYR  49   5.510  -4.139   1.015
  348    HH   TYR  49           HH       TYR  49   4.686  -5.399  -0.602
  349    H    SER  50           H        SER  50   5.853   1.062   3.467
  350    HA   SER  50           HA       SER  50   7.763  -1.099   3.922
  351   1HB   SER  50          2HB       SER  50   8.111   1.112   5.799
  352   2HB   SER  50          1HB       SER  50   9.320   0.155   4.946
  353    HG   SER  50           HG       SER  50   9.075   2.513   4.428
  354    H    ASN  51           H        ASN  51   6.099  -2.379   4.621
  355    HA   ASN  51           HA       ASN  51   3.992  -1.701   6.240
  356   1HB   ASN  51          2HB       ASN  51   5.447  -4.335   6.424
  357   2HB   ASN  51          1HB       ASN  51   3.766  -4.001   6.833
  358   1HD2  ASN  51          1HD2      ASN  51   2.362  -4.619   5.376
  359   2HD2  ASN  51          2HD2      ASN  51   2.640  -4.754   3.676
  360    H    GLY  52           H        GLY  52   3.697  -1.192   8.237
  361   1HA   GLY  52          2HA       GLY  52   4.246  -1.680  10.610
  362   2HA   GLY  52          1HA       GLY  52   5.934  -1.551  10.145
  363    HA   PRO  53           HA       PRO  53   4.073   2.503  11.951
  364   1HB   PRO  53          2HB       PRO  53   6.297   2.719  13.653
  365   2HB   PRO  53          1HB       PRO  53   4.665   2.238  14.121
  366   1HG   PRO  53          2HG       PRO  53   7.045   0.548  13.524
  367   2HG   PRO  53          1HG       PRO  53   5.747   0.291  14.705
  368   1HD   PRO  53          2HD       PRO  53   5.840  -1.098  12.419
  369   2HD   PRO  53          1HD       PRO  53   4.292  -0.557  13.105
  370    H    CYS  54           H        CYS  54   4.845   4.526  11.402
  371    HA   CYS  54           HA       CYS  54   7.551   4.932  10.529
  372   1HB   CYS  54          2HB       CYS  54   6.041   3.820   8.616
  373   2HB   CYS  54          1HB       CYS  54   5.600   5.504   8.361
  374    H    GLU  55           H        GLU  55   4.390   6.343   9.690
  375    HA   GLU  55           HA       GLU  55   5.370   8.927  10.684
  376   1HB   GLU  55          2HB       GLU  55   4.273   8.317   8.253
  377   2HB   GLU  55          1HB       GLU  55   2.869   8.900   9.136
  378   1HG   GLU  55          2HG       GLU  55   3.506  10.947   8.585
  379   2HG   GLU  55          1HG       GLU  55   4.843  10.750   9.718
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  12.126  -3.896  -3.018
    2   2H    ALA   1          2H        ALA   1  12.825  -3.466  -1.510
    3   3H    ALA   1          3H        ALA   1  12.478  -2.254  -2.675
    4    HA   ALA   1           HA       ALA   1  10.405  -3.980  -1.532
    5   1HB   ALA   1          1HB       ALA   1  10.045  -1.671  -0.213
    6   2HB   ALA   1          2HB       ALA   1  11.806  -1.679  -0.324
    7   3HB   ALA   1          3HB       ALA   1  10.965  -3.028   0.438
    8    H    HIS   2           H        HIS   2   9.886  -3.760  -3.924
    9    HA   HIS   2           HA       HIS   2   8.272  -1.336  -4.286
   10   1HB   HIS   2          2HB       HIS   2  10.512  -2.180  -5.882
   11   2HB   HIS   2          1HB       HIS   2   9.051  -2.211  -6.863
   12    HD1  HIS   2           1HD      HIS   2   8.366  -0.040  -7.844
   13    HD2  HIS   2           2HD      HIS   2  10.897   0.452  -4.586
   14    HE1  HIS   2           1HE      HIS   2   8.831   2.428  -7.721
   15    HE2  HIS   2           2HE      HIS   2  10.424   2.694  -5.787
   16    H    MET   3           H        MET   3   7.011  -3.296  -3.240
   17    HA   MET   3           HA       MET   3   5.047  -4.052  -5.139
   18   1HB   MET   3          2HB       MET   3   7.155  -6.031  -4.452
   19   2HB   MET   3          1HB       MET   3   5.499  -6.617  -4.510
   20   1HG   MET   3          2HG       MET   3   5.658  -6.797  -6.701
   21   2HG   MET   3          1HG       MET   3   5.881  -5.053  -6.817
   22   1HE   MET   3          1HE       MET   3   7.335  -8.449  -7.524
   23   2HE   MET   3          2HE       MET   3   8.668  -7.869  -8.522
   24   3HE   MET   3          3HE       MET   3   7.021  -7.330  -8.851
   25    H    ASP   4           H        ASP   4   3.220  -3.903  -3.981
   26    HA   ASP   4           HA       ASP   4   2.951  -5.350  -1.499
   27   1HB   ASP   4          2HB       ASP   4   2.401  -3.477  -0.086
   28   2HB   ASP   4          1HB       ASP   4   3.972  -3.168  -0.807
   29    H    CYS   5           H        CYS   5   1.634  -5.946  -3.724
   30    HA   CYS   5           HA       CYS   5  -0.899  -4.566  -3.866
   31   1HB   CYS   5          2HB       CYS   5   0.469  -6.683  -5.415
   32   2HB   CYS   5          1HB       CYS   5  -1.290  -6.732  -5.415
   33    H    THR   6           H        THR   6  -2.950  -5.954  -3.918
   34    HA   THR   6           HA       THR   6  -3.462  -6.885  -1.375
   35    HB   THR   6           HB       THR   6  -5.266  -6.227  -2.836
   36    HG1  THR   6           1HG      THR   6  -6.599  -7.610  -1.982
   37   1HG2  THR   6          1HG2      THR   6  -5.162  -8.762  -4.379
   38   2HG2  THR   6          2HG2      THR   6  -4.191  -7.387  -4.906
   39   3HG2  THR   6          3HG2      THR   6  -5.942  -7.231  -4.767
   40    H    GLU   7           H        GLU   7  -3.296  -9.064  -4.250
   41    HA   GLU   7           HA       GLU   7  -1.489 -10.837  -3.150
   42   1HB   GLU   7          2HB       GLU   7  -2.583 -12.226  -1.775
   43   2HB   GLU   7          1HB       GLU   7  -3.790 -10.957  -1.677
   44   1HG   GLU   7          2HG       GLU   7  -5.084 -12.031  -3.434
   45   2HG   GLU   7          1HG       GLU   7  -3.866 -13.299  -3.567
   46    H    PHE   8           H        PHE   8  -3.983 -10.089  -5.419
   47    HA   PHE   8           HA       PHE   8  -2.768 -11.923  -7.313
   48   1HB   PHE   8          2HB       PHE   8  -5.261 -12.776  -7.797
   49   2HB   PHE   8          1HB       PHE   8  -4.191 -13.583  -6.666
   50    HD1  PHE   8           1HD      PHE   8  -5.887 -10.367  -6.025
   51    HD2  PHE   8           2HD      PHE   8  -5.833 -14.557  -5.281
   52    HE1  PHE   8           1HE      PHE   8  -7.544 -10.066  -4.231
   53    HE2  PHE   8           2HE      PHE   8  -7.490 -14.262  -3.487
   54    HZ   PHE   8           HZ       PHE   8  -8.347 -12.015  -2.960
   55    H    ASN   9           H        ASN   9  -5.238 -11.843  -9.026
   56    HA   ASN   9           HA       ASN   9  -4.596  -9.483 -10.442
   57   1HB   ASN   9          2HB       ASN   9  -7.159 -10.949 -10.946
   58   2HB   ASN   9          1HB       ASN   9  -6.042 -10.225 -12.096
   59   1HD2  ASN   9          1HD2      ASN   9  -3.667 -11.331 -11.391
   60   2HD2  ASN   9          2HD2      ASN   9  -3.713 -13.041 -11.636
   61    HA   PRO  10           HA       PRO  10  -8.948  -7.884  -8.974
   62   1HB   PRO  10          2HB       PRO  10  -9.801  -9.044  -6.610
   63   2HB   PRO  10          1HB       PRO  10 -10.420  -9.451  -8.213
   64   1HG   PRO  10          2HG       PRO  10  -8.421 -10.879  -6.534
   65   2HG   PRO  10          1HG       PRO  10  -9.649 -11.537  -7.625
   66   1HD   PRO  10          2HD       PRO  10  -7.027 -11.417  -8.277
   67   2HD   PRO  10          1HD       PRO  10  -8.321 -11.274  -9.483
   68    H    LEU  11           H        LEU  11  -7.050  -6.507  -8.623
   69    HA   LEU  11           HA       LEU  11  -5.594  -6.252  -6.300
   70   1HB   LEU  11          2HB       LEU  11  -5.249  -3.902  -7.002
   71   2HB   LEU  11          1HB       LEU  11  -4.903  -5.106  -8.216
   72    HG   LEU  11           HG       LEU  11  -6.238  -2.873  -8.770
   73   1HD1  LEU  11          1HD1      LEU  11  -5.623  -5.139 -10.097
   74   2HD1  LEU  11          2HD1      LEU  11  -6.510  -3.786 -10.797
   75   3HD1  LEU  11          3HD1      LEU  11  -7.385  -5.183 -10.170
   76   1HD2  LEU  11          1HD2      LEU  11  -8.083  -3.310  -7.231
   77   2HD2  LEU  11          2HD2      LEU  11  -8.430  -4.824  -8.066
   78   3HD2  LEU  11          3HD2      LEU  11  -8.639  -3.289  -8.905
   79    H    CYS  12           H        CYS  12  -5.859  -3.691  -5.452
   80    HA   CYS  12           HA       CYS  12  -6.839  -3.564  -3.132
   81   1HB   CYS  12          2HB       CYS  12  -7.652  -1.290  -3.340
   82   2HB   CYS  12          1HB       CYS  12  -6.190  -1.528  -4.284
   83    H    ARG  13           H        ARG  13  -8.267  -5.462  -3.321
   84    HA   ARG  13           HA       ARG  13 -11.098  -4.703  -3.621
   85   1HB   ARG  13          2HB       ARG  13  -9.912  -6.914  -4.569
   86   2HB   ARG  13          1HB       ARG  13 -10.296  -7.497  -2.956
   87   1HG   ARG  13          2HG       ARG  13 -12.022  -8.068  -4.600
   88   2HG   ARG  13          1HG       ARG  13 -12.641  -7.040  -3.306
   89   1HD   ARG  13          2HD       ARG  13 -11.612  -5.597  -5.648
   90   2HD   ARG  13          1HD       ARG  13 -13.030  -6.597  -5.960
   91    HE   ARG  13           HE       ARG  13 -13.284  -4.928  -3.634
   92   1HH1  ARG  13          1HH1      ARG  13 -13.670  -5.083  -7.098
   93   2HH1  ARG  13          2HH1      ARG  13 -14.846  -3.813  -7.150
   94   1HH2  ARG  13          1HH2      ARG  13 -14.834  -3.258  -3.700
   95   2HH2  ARG  13          2HH2      ARG  13 -15.507  -2.778  -5.221
   96    H    CYS  14           H        CYS  14  -9.558  -3.651  -1.535
   97    HA   CYS  14           HA       CYS  14 -11.005  -4.664   0.772
   98   1HB   CYS  14          2HB       CYS  14  -8.497  -4.228   1.849
   99   2HB   CYS  14          1HB       CYS  14  -9.212  -5.800   1.518
  100    H    ASN  15           H        ASN  15 -11.941  -2.940   1.637
  101    HA   ASN  15           HA       ASN  15 -10.728  -0.298   1.301
  102   1HB   ASN  15          2HB       ASN  15 -13.404  -1.266   1.373
  103   2HB   ASN  15          1HB       ASN  15 -13.197  -0.161   2.720
  104   1HD2  ASN  15          1HD2      ASN  15 -11.793   1.833   1.997
  105   2HD2  ASN  15          2HD2      ASN  15 -12.374   2.618   0.572
  106    H    LYS  16           H        LYS  16 -12.013  -2.395   3.807
  107    HA   LYS  16           HA       LYS  16 -12.012  -1.325   6.123
  108   1HB   LYS  16          2HB       LYS  16 -11.038  -3.231   7.170
  109   2HB   LYS  16          1HB       LYS  16 -11.844  -3.781   5.709
  110   1HG   LYS  16          2HG       LYS  16  -9.969  -4.691   4.967
  111   2HG   LYS  16          1HG       LYS  16  -9.123  -3.148   5.101
  112   1HD   LYS  16          2HD       LYS  16  -8.334  -3.618   7.226
  113   2HD   LYS  16          1HD       LYS  16  -9.607  -4.797   7.548
  114   1HE   LYS  16          2HE       LYS  16  -8.531  -6.474   6.416
  115   2HE   LYS  16          1HE       LYS  16  -7.677  -5.356   5.354
  116   1HZ   LYS  16          1HZ       LYS  16  -6.027  -6.138   6.749
  117   2HZ   LYS  16          2HZ       LYS  16  -7.019  -6.145   8.117
  118   3HZ   LYS  16          3HZ       LYS  16  -6.453  -4.679   7.492
  119    H    MET  17           H        MET  17 -10.760   0.680   5.247
  120    HA   MET  17           HA       MET  17  -7.957   0.819   5.608
  121   1HB   MET  17          2HB       MET  17 -10.047   2.969   5.790
  122   2HB   MET  17          1HB       MET  17  -8.316   3.263   5.776
  123   1HG   MET  17          2HG       MET  17  -8.674   1.711   3.551
  124   2HG   MET  17          1HG       MET  17 -10.139   2.689   3.577
  125   1HE   MET  17          1HE       MET  17  -9.911   3.614   1.630
  126   2HE   MET  17          2HE       MET  17  -8.558   4.499   0.925
  127   3HE   MET  17          3HE       MET  17  -9.717   5.335   1.959
  128    H    LEU  18           H        LEU  18  -8.142  -0.507   7.659
  129    HA   LEU  18           HA       LEU  18  -7.385   1.101   9.835
  130   1HB   LEU  18          2HB       LEU  18  -9.140   0.798  11.376
  131   2HB   LEU  18          1HB       LEU  18  -9.895   1.334   9.890
  132    HG   LEU  18           HG       LEU  18  -9.960  -1.404  11.130
  133   1HD1  LEU  18          1HD1      LEU  18 -12.100   0.491  10.183
  134   2HD1  LEU  18          2HD1      LEU  18 -11.643   0.185  11.860
  135   3HD1  LEU  18          3HD1      LEU  18 -12.373  -1.099  10.895
  136   1HD2  LEU  18          1HD2      LEU  18 -11.075  -2.222   9.122
  137   2HD2  LEU  18          2HD2      LEU  18  -9.430  -1.700   8.758
  138   3HD2  LEU  18          3HD2      LEU  18 -10.797  -0.673   8.325
  139    H    GLY  19           H        GLY  19  -5.973  -0.744   8.684
  140   1HA   GLY  19          2HA       GLY  19  -5.904  -2.910  10.681
  141   2HA   GLY  19          1HA       GLY  19  -5.766  -3.291   8.971
  142    H    ASP  20           H        ASP  20  -3.808  -3.235   8.038
  143    HA   ASP  20           HA       ASP  20  -1.480  -3.064   9.600
  144   1HB   ASP  20          2HB       ASP  20  -1.552  -2.762   6.603
  145   2HB   ASP  20          1HB       ASP  20  -0.288  -3.470   7.599
  146    H    LEU  21           H        LEU  21   0.411  -1.667   8.588
  147    HA   LEU  21           HA       LEU  21  -0.435   1.081   8.090
  148   1HB   LEU  21          2HB       LEU  21  -0.301   1.181  10.443
  149   2HB   LEU  21          1HB       LEU  21   1.136   0.179  10.489
  150    HG   LEU  21           HG       LEU  21   2.517   1.962   9.714
  151   1HD1  LEU  21          1HD1      LEU  21   1.161   4.259   9.453
  152   2HD1  LEU  21          2HD1      LEU  21  -0.056   3.128   8.861
  153   3HD1  LEU  21          3HD1      LEU  21   1.533   3.193   8.098
  154   1HD2  LEU  21          1HD2      LEU  21   1.683   3.845  11.383
  155   2HD2  LEU  21          2HD2      LEU  21   2.381   2.329  11.953
  156   3HD2  LEU  21          3HD2      LEU  21   0.631   2.538  11.927
  157    H    ILE  22           H        ILE  22   0.457   0.762   6.034
  158    HA   ILE  22           HA       ILE  22   3.311   0.202   5.870
  159    HB   ILE  22           HB       ILE  22   2.131  -1.034   4.271
  160   1HG1  ILE  22          2HG1      ILE  22   4.108   0.488   3.468
  161   2HG1  ILE  22          1HG1      ILE  22   3.202  -0.509   2.341
  162   1HG2  ILE  22          1HG2      ILE  22   0.603   1.477   3.711
  163   2HG2  ILE  22          2HG2      ILE  22  -0.006  -0.078   4.279
  164   3HG2  ILE  22          3HG2      ILE  22   0.578   0.089   2.623
  165   1HD1  ILE  22          1HD1      ILE  22   2.153   1.278   1.383
  166   2HD1  ILE  22          2HD1      ILE  22   3.736   1.954   1.760
  167   3HD1  ILE  22          3HD1      ILE  22   2.355   2.305   2.800
  168    H    CYS  23           H        CYS  23   4.781   1.562   4.833
  169    HA   CYS  23           HA       CYS  23   3.952   4.389   4.758
  170   1HB   CYS  23          2HB       CYS  23   5.622   3.858   6.493
  171   2HB   CYS  23          1HB       CYS  23   6.696   3.209   5.260
  172    H    ALA  24           H        ALA  24   3.264   4.276   2.585
  173    HA   ALA  24           HA       ALA  24   5.061   3.331   0.560
  174   1HB   ALA  24          1HB       ALA  24   3.246   4.503  -0.930
  175   2HB   ALA  24          2HB       ALA  24   2.326   4.491   0.574
  176   3HB   ALA  24          3HB       ALA  24   2.912   2.976  -0.116
  177    H    VAL  25           H        VAL  25   5.898   4.585  -1.160
  178    HA   VAL  25           HA       VAL  25   6.109   7.462  -0.744
  179    HB   VAL  25           HB       VAL  25   8.633   5.907  -1.181
  180   1HG1  VAL  25          1HG1      VAL  25   8.663   8.292  -1.663
  181   2HG1  VAL  25          2HG1      VAL  25   9.666   7.927  -0.259
  182   3HG1  VAL  25          3HG1      VAL  25   8.068   8.639  -0.039
  183   1HG2  VAL  25          1HG2      VAL  25   7.981   4.960   0.850
  184   2HG2  VAL  25          2HG2      VAL  25   7.263   6.465   1.426
  185   3HG2  VAL  25          3HG2      VAL  25   9.017   6.307   1.326
  186    H    ILE  26           H        ILE  26   6.532   8.624  -2.540
  187    HA   ILE  26           HA       ILE  26   6.689   7.168  -5.101
  188    HB   ILE  26           HB       ILE  26   5.840   9.610  -5.864
  189   1HG1  ILE  26          2HG1      ILE  26   5.616  10.142  -3.353
  190   2HG1  ILE  26          1HG1      ILE  26   4.298  10.599  -4.420
  191   1HG2  ILE  26          1HG2      ILE  26   3.692   7.727  -5.077
  192   2HG2  ILE  26          2HG2      ILE  26   4.935   7.162  -6.188
  193   3HG2  ILE  26          3HG2      ILE  26   3.966   8.573  -6.596
  194   1HD1  ILE  26          1HD1      ILE  26   3.130   8.505  -3.719
  195   2HD1  ILE  26          2HD1      ILE  26   3.363   9.694  -2.438
  196   3HD1  ILE  26          3HD1      ILE  26   4.403   8.273  -2.521
  197    H    GLY  27           H        GLY  27   8.984   7.208  -4.943
  198   1HA   GLY  27          2HA       GLY  27  11.024   8.009  -5.627
  199   2HA   GLY  27          1HA       GLY  27  10.183   9.418  -6.254
  200    H    ASP  28           H        ASP  28   9.190  10.713  -4.234
  201    HA   ASP  28           HA       ASP  28  11.086  10.885  -2.053
  202   1HB   ASP  28          2HB       ASP  28  10.656  13.172  -3.983
  203   2HB   ASP  28          1HB       ASP  28  11.475  13.320  -2.430
  204    H    ALA  29           H        ALA  29   8.126  10.431  -2.623
  205    HA   ALA  29           HA       ALA  29   7.175  12.386  -0.627
  206   1HB   ALA  29          1HB       ALA  29   5.730  13.217  -2.092
  207   2HB   ALA  29          2HB       ALA  29   4.944  11.639  -2.164
  208   3HB   ALA  29          3HB       ALA  29   6.225  12.040  -3.308
  209    H    LYS  30           H        LYS  30   7.246  11.060   1.111
  210    HA   LYS  30           HA       LYS  30   6.002   8.422   0.933
  211   1HB   LYS  30          2HB       LYS  30   6.963   8.241   3.322
  212   2HB   LYS  30          1HB       LYS  30   8.078   8.221   1.965
  213   1HG   LYS  30          2HG       LYS  30   8.709  10.485   2.344
  214   2HG   LYS  30          1HG       LYS  30   7.435  10.697   3.544
  215   1HD   LYS  30          2HD       LYS  30   9.005  10.199   5.061
  216   2HD   LYS  30          1HD       LYS  30   8.833   8.533   4.509
  217   1HE   LYS  30          2HE       LYS  30  11.041   8.676   4.118
  218   2HE   LYS  30          1HE       LYS  30  10.544   9.521   2.652
  219   1HZ   LYS  30          1HZ       LYS  30  12.248  10.528   4.429
  220   2HZ   LYS  30          2HZ       LYS  30  10.802  11.166   5.031
  221   3HZ   LYS  30          3HZ       LYS  30  11.268  11.486   3.437
  222    H    GLU  31           H        GLU  31   4.421   7.704   2.363
  223    HA   GLU  31           HA       GLU  31   3.183   9.487   4.255
  224   1HB   GLU  31          2HB       GLU  31   2.186  10.310   2.175
  225   2HB   GLU  31          1HB       GLU  31   1.677   8.679   1.757
  226   1HG   GLU  31          2HG       GLU  31   0.690   9.346   4.354
  227   2HG   GLU  31          1HG       GLU  31   0.265  10.622   3.214
  228    H    GLU  32           H        GLU  32   1.808   8.393   5.702
  229    HA   GLU  32           HA       GLU  32   2.077   5.491   5.615
  230   1HB   GLU  32          2HB       GLU  32   0.757   7.009   7.838
  231   2HB   GLU  32          1HB       GLU  32   1.584   5.459   7.899
  232   1HG   GLU  32          2HG       GLU  32   3.712   6.486   7.743
  233   2HG   GLU  32          1HG       GLU  32   2.996   8.043   7.329
  234    H    HIS  33           H        HIS  33   0.447   4.072   5.543
  235    HA   HIS  33           HA       HIS  33  -2.305   4.866   5.781
  236   1HB   HIS  33          2HB       HIS  33  -2.990   4.264   3.519
  237   2HB   HIS  33          1HB       HIS  33  -1.817   5.580   3.471
  238    HD1  HIS  33           1HD      HIS  33  -2.328   2.058   2.456
  239    HD2  HIS  33           2HD      HIS  33   0.739   4.856   2.503
  240    HE1  HIS  33           1HE      HIS  33  -0.509   1.090   1.023
  241    HE2  HIS  33           2HE      HIS  33   1.249   2.879   0.929
  242    H    ARG  34           H        ARG  34  -3.702   3.117   5.966
  243    HA   ARG  34           HA       ARG  34  -2.386   0.633   6.676
  244   1HB   ARG  34          2HB       ARG  34  -5.332   1.187   6.900
  245   2HB   ARG  34          1HB       ARG  34  -4.357   0.064   7.838
  246   1HG   ARG  34          2HG       ARG  34  -3.130   2.357   8.486
  247   2HG   ARG  34          1HG       ARG  34  -4.752   2.972   8.164
  248   1HD   ARG  34          2HD       ARG  34  -5.324   2.324  10.212
  249   2HD   ARG  34          1HD       ARG  34  -5.125   0.656   9.683
  250    HE   ARG  34           HE       ARG  34  -3.148   0.543  10.843
  251   1HH1  ARG  34          1HH1      ARG  34  -4.184   3.872  10.654
  252   2HH1  ARG  34          2HH1      ARG  34  -3.002   4.433  11.787
  253   1HH2  ARG  34          1HH2      ARG  34  -1.591   1.283  12.331
  254   2HH2  ARG  34          2HH2      ARG  34  -1.530   2.965  12.738
  255    H    ASN  35           H        ASN  35  -4.255   1.835   4.020
  256    HA   ASN  35           HA       ASN  35  -5.045  -0.835   3.175
  257   1HB   ASN  35          2HB       ASN  35  -5.876   1.866   2.547
  258   2HB   ASN  35          1HB       ASN  35  -5.624   0.922   1.087
  259   1HD2  ASN  35          1HD2      ASN  35  -6.763  -0.095   4.282
  260   2HD2  ASN  35          2HD2      ASN  35  -8.296  -0.679   3.740
  261    H    MET  36           H        MET  36  -2.749  -1.490   3.063
  262    HA   MET  36           HA       MET  36  -0.972  -0.492   1.126
  263   1HB   MET  36          2HB       MET  36   0.083  -1.819   2.684
  264   2HB   MET  36          1HB       MET  36  -1.221  -2.992   2.725
  265   1HG   MET  36          2HG       MET  36  -0.497  -3.866   0.558
  266   2HG   MET  36          1HG       MET  36   0.815  -2.691   0.531
  267   1HE   MET  36          1HE       MET  36   0.075  -6.370   2.874
  268   2HE   MET  36          2HE       MET  36  -0.979  -4.958   2.799
  269   3HE   MET  36          3HE       MET  36   0.185  -5.119   4.114
  270    H    CYS  37           H        CYS  37  -3.807  -2.426   0.825
  271    HA   CYS  37           HA       CYS  37  -2.988  -3.501  -1.742
  272   1HB   CYS  37          2HB       CYS  37  -5.118  -4.631  -1.799
  273   2HB   CYS  37          1HB       CYS  37  -4.382  -4.866  -0.222
  274    H    ALA  38           H        ALA  38  -4.995  -0.943  -0.454
  275    HA   ALA  38           HA       ALA  38  -6.111  -0.211  -2.992
  276   1HB   ALA  38          1HB       ALA  38  -6.991   0.290  -0.577
  277   2HB   ALA  38          2HB       ALA  38  -7.253   1.450  -1.879
  278   3HB   ALA  38          3HB       ALA  38  -5.952   1.708  -0.717
  279    H    LEU  39           H        LEU  39  -3.091   0.116  -1.597
  280    HA   LEU  39           HA       LEU  39  -2.447   2.604  -2.940
  281   1HB   LEU  39          2HB       LEU  39  -1.436   1.207  -0.704
  282   2HB   LEU  39          1HB       LEU  39  -0.145   1.236  -1.885
  283    HG   LEU  39           HG       LEU  39  -0.102   3.156  -0.305
  284   1HD1  LEU  39          1HD1      LEU  39  -0.154   4.908  -2.258
  285   2HD1  LEU  39          2HD1      LEU  39  -0.228   3.436  -3.231
  286   3HD1  LEU  39          3HD1      LEU  39   1.108   3.689  -2.107
  287   1HD2  LEU  39          1HD2      LEU  39  -2.365   4.409  -1.746
  288   2HD2  LEU  39          2HD2      LEU  39  -1.766   4.700  -0.114
  289   3HD2  LEU  39          3HD2      LEU  39  -2.733   3.266  -0.455
  290    H    CYS  40           H        CYS  40  -1.450  -0.787  -3.054
  291    HA   CYS  40           HA       CYS  40   0.283  -0.526  -5.252
  292   1HB   CYS  40          2HB       CYS  40   0.048  -2.516  -3.679
  293   2HB   CYS  40          1HB       CYS  40  -1.346  -2.984  -4.645
  294    H    CYS  41           H        CYS  41  -3.187  -0.730  -5.009
  295    HA   CYS  41           HA       CYS  41  -3.504  -1.281  -7.842
  296   1HB   CYS  41          2HB       CYS  41  -5.453  -2.072  -7.178
  297   2HB   CYS  41          1HB       CYS  41  -5.090  -1.592  -5.537
  298    H    GLU  42           H        GLU  42  -3.845   1.370  -5.588
  299    HA   GLU  42           HA       GLU  42  -4.702   3.168  -7.737
  300   1HB   GLU  42          2HB       GLU  42  -5.754   2.980  -5.355
  301   2HB   GLU  42          1HB       GLU  42  -4.421   4.030  -4.889
  302   1HG   GLU  42          2HG       GLU  42  -5.181   5.788  -6.207
  303   2HG   GLU  42          1HG       GLU  42  -6.201   4.736  -7.186
  304    H    HIS  43           H        HIS  43  -1.784   2.203  -7.104
  305    HA   HIS  43           HA       HIS  43  -0.659   4.884  -7.486
  306   1HB   HIS  43          2HB       HIS  43  -0.017   3.027  -5.275
  307   2HB   HIS  43          1HB       HIS  43   1.332   3.868  -6.015
  308    HD1  HIS  43           1HD      HIS  43   1.715   6.224  -5.270
  309    HD2  HIS  43           2HD      HIS  43  -2.090   4.862  -4.306
  310    HE1  HIS  43           1HE      HIS  43   0.676   8.052  -3.889
  311    HE2  HIS  43           2HE      HIS  43  -1.588   7.163  -3.236
  312    HA   PRO  44           HA       PRO  44   2.057   3.546 -10.606
  313   1HB   PRO  44          2HB       PRO  44   4.440   3.774  -8.833
  314   2HB   PRO  44          1HB       PRO  44   4.143   4.490 -10.420
  315   1HG   PRO  44          2HG       PRO  44   3.975   5.985  -8.233
  316   2HG   PRO  44          1HG       PRO  44   2.805   6.186  -9.552
  317   1HD   PRO  44          2HD       PRO  44   2.479   4.809  -6.917
  318   2HD   PRO  44          1HD       PRO  44   1.316   5.806  -7.814
  319    H    GLY  45           H        GLY  45   1.222   1.372 -10.508
  320   1HA   GLY  45          2HA       GLY  45   1.345  -0.920 -10.187
  321   2HA   GLY  45          1HA       GLY  45   2.955  -0.648 -10.828
  322    H    GLY  46           H        GLY  46   1.865   0.515  -7.698
  323   1HA   GLY  46          2HA       GLY  46   2.349  -0.240  -5.560
  324   2HA   GLY  46          1HA       GLY  46   3.053  -1.687  -6.265
  325    H    PHE  47           H        PHE  47   3.887   1.686  -6.899
  326    HA   PHE  47           HA       PHE  47   6.499   1.673  -7.169
  327   1HB   PHE  47          2HB       PHE  47   6.627   3.875  -5.947
  328   2HB   PHE  47          1HB       PHE  47   5.418   3.760  -7.214
  329    HD1  PHE  47           1HD      PHE  47   3.538   2.053  -5.196
  330    HD2  PHE  47           2HD      PHE  47   5.500   5.815  -5.090
  331    HE1  PHE  47           1HE      PHE  47   1.850   2.878  -3.641
  332    HE2  PHE  47           2HE      PHE  47   3.811   6.647  -3.520
  333    HZ   PHE  47           HZ       PHE  47   1.983   5.190  -2.804
  334    H    GLU  48           H        GLU  48   6.444   3.123  -4.012
  335    HA   GLU  48           HA       GLU  48   7.770   0.683  -2.983
  336   1HB   GLU  48          2HB       GLU  48   9.409   2.207  -1.821
  337   2HB   GLU  48          1HB       GLU  48   9.567   2.104  -3.570
  338   1HG   GLU  48          2HG       GLU  48   8.473   4.227  -3.840
  339   2HG   GLU  48          1HG       GLU  48   8.152   4.317  -2.109
  340    H    TYR  49           H        TYR  49   7.798   0.349  -0.773
  341    HA   TYR  49           HA       TYR  49   6.221   2.058   0.992
  342   1HB   TYR  49          2HB       TYR  49   4.797   0.311   1.751
  343   2HB   TYR  49          1HB       TYR  49   4.544   0.509   0.039
  344    HD1  TYR  49           1HD      TYR  49   4.411  -1.825   2.373
  345    HD2  TYR  49           2HD      TYR  49   6.598  -1.104  -1.197
  346    HE1  TYR  49           1HE      TYR  49   4.762  -4.231   2.120
  347    HE2  TYR  49           2HE      TYR  49   6.967  -3.512  -1.458
  348    HH   TYR  49           HH       TYR  49   6.369  -5.751   1.021
  349    H    SER  50           H        SER  50   6.149   1.149   3.158
  350    HA   SER  50           HA       SER  50   8.333  -0.591   3.914
  351   1HB   SER  50          2HB       SER  50   8.282   2.029   5.320
  352   2HB   SER  50          1HB       SER  50   9.622   0.913   5.066
  353    HG   SER  50           HG       SER  50  10.078   1.868   3.237
  354    H    ASN  51           H        ASN  51   6.465  -1.776   4.489
  355    HA   ASN  51           HA       ASN  51   4.395  -1.031   6.088
  356   1HB   ASN  51          2HB       ASN  51   5.767  -3.607   5.667
  357   2HB   ASN  51          1HB       ASN  51   4.671  -3.499   7.029
  358   1HD2  ASN  51          1HD2      ASN  51   2.521  -3.487   6.691
  359   2HD2  ASN  51          2HD2      ASN  51   1.783  -3.621   5.136
  360    H    GLY  52           H        GLY  52   3.989  -0.745   8.125
  361   1HA   GLY  52          2HA       GLY  52   4.387  -0.840  10.472
  362   2HA   GLY  52          1HA       GLY  52   6.086  -1.146  10.138
  363    HA   PRO  53           HA       PRO  53   5.808   3.298  11.340
  364   1HB   PRO  53          2HB       PRO  53   8.129   3.358  12.731
  365   2HB   PRO  53          1HB       PRO  53   6.609   2.803  13.442
  366   1HG   PRO  53          2HG       PRO  53   8.883   1.198  12.341
  367   2HG   PRO  53          1HG       PRO  53   7.934   0.930  13.815
  368   1HD   PRO  53          2HD       PRO  53   7.498  -0.433  11.503
  369   2HD   PRO  53          1HD       PRO  53   6.211  -0.075  12.671
  370    H    CYS  54           H        CYS  54   6.753   5.001  10.315
  371    HA   CYS  54           HA       CYS  54   9.354   5.064   9.266
  372   1HB   CYS  54          2HB       CYS  54   8.949   3.600   7.546
  373   2HB   CYS  54          1HB       CYS  54   7.235   3.970   7.490
  374    H    GLU  55           H        GLU  55   6.217   6.108   7.930
  375    HA   GLU  55           HA       GLU  55   7.176   8.845   7.832
  376   1HB   GLU  55          2HB       GLU  55   5.065   7.290   6.535
  377   2HB   GLU  55          1HB       GLU  55   4.539   8.896   7.019
  378   1HG   GLU  55          2HG       GLU  55   7.001   8.360   5.382
  379   2HG   GLU  55          1HG       GLU  55   5.421   8.751   4.703
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1   5.817   0.773  -9.940
    2   2H    ALA   1          2H        ALA   1   7.489   0.464  -9.703
    3   3H    ALA   1          3H        ALA   1   6.592   1.308  -8.508
    4    HA   ALA   1           HA       ALA   1   5.243  -0.634  -8.152
    5   1HB   ALA   1          1HB       ALA   1   5.986  -1.439 -10.579
    6   2HB   ALA   1          2HB       ALA   1   5.456  -2.563  -9.328
    7   3HB   ALA   1          3HB       ALA   1   7.177  -2.325  -9.626
    8    H    HIS   2           H        HIS   2   5.763  -1.782  -6.330
    9    HA   HIS   2           HA       HIS   2   8.578  -1.883  -5.532
   10   1HB   HIS   2          2HB       HIS   2   7.046  -0.008  -4.500
   11   2HB   HIS   2          1HB       HIS   2   6.561  -1.335  -3.444
   12    HD1  HIS   2           1HD      HIS   2  10.066  -0.858  -4.765
   13    HD2  HIS   2           2HD      HIS   2   7.959  -0.532  -1.203
   14    HE1  HIS   2           1HE      HIS   2  11.807  -0.533  -2.983
   15    HE2  HIS   2           2HE      HIS   2  10.512  -0.381  -0.827
   16    H    MET   3           H        MET   3   7.880  -2.848  -2.994
   17    HA   MET   3           HA       MET   3   7.937  -5.625  -3.541
   18   1HB   MET   3          2HB       MET   3   8.616  -4.017  -1.404
   19   2HB   MET   3          1HB       MET   3   7.246  -4.931  -0.787
   20   1HG   MET   3          2HG       MET   3   9.361  -6.019  -0.275
   21   2HG   MET   3          1HG       MET   3   8.358  -7.014  -1.328
   22   1HE   MET   3          1HE       MET   3  12.185  -5.261  -1.359
   23   2HE   MET   3          2HE       MET   3  12.416  -6.980  -1.675
   24   3HE   MET   3          3HE       MET   3  11.380  -6.458  -0.345
   25    H    ASP   4           H        ASP   4   6.377  -6.666  -1.401
   26    HA   ASP   4           HA       ASP   4   4.241  -7.783  -2.280
   27   1HB   ASP   4          2HB       ASP   4   4.144  -6.178   0.279
   28   2HB   ASP   4          1HB       ASP   4   3.039  -7.485  -0.139
   29    H    CYS   5           H        CYS   5   2.365  -7.451  -3.270
   30    HA   CYS   5           HA       CYS   5   0.822  -5.055  -2.935
   31   1HB   CYS   5          2HB       CYS   5   2.103  -3.966  -4.503
   32   2HB   CYS   5          1HB       CYS   5   2.577  -5.450  -5.306
   33    H    THR   6           H        THR   6  -1.283  -5.476  -3.245
   34    HA   THR   6           HA       THR   6  -2.474  -7.863  -3.275
   35    HB   THR   6           HB       THR   6  -3.478  -5.445  -4.801
   36    HG1  THR   6           1HG      THR   6  -3.077  -4.818  -2.745
   37   1HG2  THR   6          1HG2      THR   6  -4.847  -7.403  -5.257
   38   2HG2  THR   6          2HG2      THR   6  -5.704  -6.234  -4.254
   39   3HG2  THR   6          3HG2      THR   6  -5.022  -7.688  -3.526
   40    H    GLU   7           H        GLU   7  -1.121  -6.343  -6.208
   41    HA   GLU   7           HA       GLU   7  -2.097  -7.210  -8.389
   42   1HB   GLU   7          2HB       GLU   7   0.477  -6.767  -7.655
   43   2HB   GLU   7          1HB       GLU   7   0.565  -8.444  -8.171
   44   1HG   GLU   7          2HG       GLU   7  -0.939  -6.985 -10.092
   45   2HG   GLU   7          1HG       GLU   7   0.553  -6.109  -9.758
   46    H    PHE   8           H        PHE   8  -3.688  -8.788  -8.056
   47    HA   PHE   8           HA       PHE   8  -2.882 -11.394  -8.852
   48   1HB   PHE   8          2HB       PHE   8  -3.735 -12.702  -7.027
   49   2HB   PHE   8          1HB       PHE   8  -2.520 -11.595  -6.413
   50    HD1  PHE   8           1HD      PHE   8  -4.201 -12.924  -4.555
   51    HD2  PHE   8           2HD      PHE   8  -4.981  -9.370  -6.758
   52    HE1  PHE   8           1HE      PHE   8  -5.757 -12.185  -2.802
   53    HE2  PHE   8           2HE      PHE   8  -6.525  -8.626  -5.007
   54    HZ   PHE   8           HZ       PHE   8  -6.924 -10.029  -3.027
   55    H    ASN   9           H        ASN   9  -5.580 -12.378  -7.659
   56    HA   ASN   9           HA       ASN   9  -7.024 -11.819 -10.018
   57   1HB   ASN   9          2HB       ASN   9  -8.864 -12.858  -8.166
   58   2HB   ASN   9          1HB       ASN   9  -8.019 -13.710  -9.444
   59   1HD2  ASN   9          1HD2      ASN   9  -8.886 -14.345  -6.595
   60   2HD2  ASN   9          2HD2      ASN   9  -7.476 -15.052  -5.889
   61    HA   PRO  10           HA       PRO  10  -9.966  -8.954  -7.763
   62   1HB   PRO  10          2HB       PRO  10 -10.471  -9.051  -5.168
   63   2HB   PRO  10          1HB       PRO  10 -11.013 -10.365  -6.222
   64   1HG   PRO  10          2HG       PRO  10  -8.616 -10.249  -4.426
   65   2HG   PRO  10          1HG       PRO  10  -9.782 -11.567  -4.644
   66   1HD   PRO  10          2HD       PRO  10  -7.321 -11.433  -5.898
   67   2HD   PRO  10          1HD       PRO  10  -8.712 -12.360  -6.486
   68    H    LEU  11           H        LEU  11  -8.338  -7.348  -8.308
   69    HA   LEU  11           HA       LEU  11  -6.260  -6.366  -6.883
   70   1HB   LEU  11          2HB       LEU  11  -8.268  -5.092  -8.651
   71   2HB   LEU  11          1HB       LEU  11  -7.253  -4.018  -7.709
   72    HG   LEU  11           HG       LEU  11  -5.254  -4.931  -8.720
   73   1HD1  LEU  11          1HD1      LEU  11  -7.161  -6.870  -9.994
   74   2HD1  LEU  11          2HD1      LEU  11  -5.740  -7.214  -9.008
   75   3HD1  LEU  11          3HD1      LEU  11  -5.546  -6.565 -10.636
   76   1HD2  LEU  11          1HD2      LEU  11  -5.847  -4.436 -11.179
   77   2HD2  LEU  11          2HD2      LEU  11  -6.055  -3.155  -9.986
   78   3HD2  LEU  11          3HD2      LEU  11  -7.454  -4.063 -10.557
   79    H    CYS  12           H        CYS  12  -6.094  -4.237  -5.661
   80    HA   CYS  12           HA       CYS  12  -6.594  -4.254  -3.162
   81   1HB   CYS  12          2HB       CYS  12  -6.858  -1.879  -3.031
   82   2HB   CYS  12          1HB       CYS  12  -5.767  -2.271  -4.349
   83    H    ARG  13           H        ARG  13  -8.477  -5.848  -3.446
   84    HA   ARG  13           HA       ARG  13 -11.082  -4.548  -3.192
   85   1HB   ARG  13          2HB       ARG  13 -10.157  -7.146  -4.014
   86   2HB   ARG  13          1HB       ARG  13 -11.320  -7.326  -2.708
   87   1HG   ARG  13          2HG       ARG  13 -12.347  -7.403  -4.945
   88   2HG   ARG  13          1HG       ARG  13 -12.977  -6.098  -3.940
   89   1HD   ARG  13          2HD       ARG  13 -12.554  -4.746  -5.664
   90   2HD   ARG  13          1HD       ARG  13 -10.850  -4.929  -5.257
   91    HE   ARG  13           HE       ARG  13 -10.575  -6.287  -7.092
   92   1HH1  ARG  13          1HH1      ARG  13 -13.982  -5.758  -6.543
   93   2HH1  ARG  13          2HH1      ARG  13 -14.458  -6.439  -8.061
   94   1HH2  ARG  13          1HH2      ARG  13 -11.203  -7.186  -9.087
   95   2HH2  ARG  13          2HH2      ARG  13 -12.883  -7.251  -9.503
   96    H    CYS  14           H        CYS  14  -9.238  -3.926  -1.195
   97    HA   CYS  14           HA       CYS  14 -10.490  -5.177   1.132
   98   1HB   CYS  14          2HB       CYS  14  -8.507  -5.585   2.177
   99   2HB   CYS  14          1HB       CYS  14  -7.947  -5.706   0.519
  100    H    ASN  15           H        ASN  15 -11.695  -3.756   2.090
  101    HA   ASN  15           HA       ASN  15 -11.259  -0.913   1.806
  102   1HB   ASN  15          2HB       ASN  15 -13.473  -2.595   2.410
  103   2HB   ASN  15          1HB       ASN  15 -13.275  -1.474   3.745
  104   1HD2  ASN  15          1HD2      ASN  15 -12.276   0.719   2.366
  105   2HD2  ASN  15          2HD2      ASN  15 -13.521   1.348   1.347
  106    H    LYS  16           H        LYS  16 -11.336  -3.252   4.431
  107    HA   LYS  16           HA       LYS  16 -11.091  -2.194   6.743
  108   1HB   LYS  16          2HB       LYS  16  -9.380  -3.731   7.433
  109   2HB   LYS  16          1HB       LYS  16 -10.389  -4.512   6.224
  110   1HG   LYS  16          2HG       LYS  16  -8.275  -3.280   4.833
  111   2HG   LYS  16          1HG       LYS  16  -7.565  -4.100   6.225
  112   1HD   LYS  16          2HD       LYS  16  -9.566  -5.486   4.476
  113   2HD   LYS  16          1HD       LYS  16  -7.862  -5.414   4.023
  114   1HE   LYS  16          2HE       LYS  16  -8.009  -7.421   5.182
  115   2HE   LYS  16          1HE       LYS  16  -7.425  -6.296   6.408
  116   1HZ   LYS  16          1HZ       LYS  16 -10.265  -7.091   6.049
  117   2HZ   LYS  16          2HZ       LYS  16  -9.651  -6.091   7.269
  118   3HZ   LYS  16          3HZ       LYS  16  -9.221  -7.726   7.220
  119    H    MET  17           H        MET  17 -10.634   0.062   5.684
  120    HA   MET  17           HA       MET  17  -7.875   0.862   5.597
  121   1HB   MET  17          2HB       MET  17 -10.250   1.907   4.702
  122   2HB   MET  17          1HB       MET  17  -9.812   2.991   6.012
  123   1HG   MET  17          2HG       MET  17  -7.918   3.737   4.949
  124   2HG   MET  17          1HG       MET  17  -7.768   2.281   3.967
  125   1HE   MET  17          1HE       MET  17  -8.394   5.954   3.637
  126   2HE   MET  17          2HE       MET  17  -9.763   5.496   4.650
  127   3HE   MET  17          3HE       MET  17 -10.039   6.099   3.016
  128    H    LEU  18           H        LEU  18  -8.073  -0.339   7.876
  129    HA   LEU  18           HA       LEU  18  -7.215   1.566   9.776
  130   1HB   LEU  18          2HB       LEU  18  -8.926   1.271  11.463
  131   2HB   LEU  18          1HB       LEU  18  -9.624   1.927   9.995
  132    HG   LEU  18           HG       LEU  18  -9.767  -0.983  10.090
  133   1HD1  LEU  18          1HD1      LEU  18 -11.201  -1.298  11.890
  134   2HD1  LEU  18          2HD1      LEU  18 -11.517   0.428  12.066
  135   3HD1  LEU  18          3HD1      LEU  18  -9.956  -0.235  12.548
  136   1HD2  LEU  18          1HD2      LEU  18 -12.075  -0.546   9.460
  137   2HD2  LEU  18          2HD2      LEU  18 -10.969   0.425   8.487
  138   3HD2  LEU  18          3HD2      LEU  18 -11.861   1.169   9.814
  139    H    GLY  19           H        GLY  19  -5.604  -0.243   9.140
  140   1HA   GLY  19          2HA       GLY  19  -5.626  -2.163  11.339
  141   2HA   GLY  19          1HA       GLY  19  -5.576  -2.830   9.717
  142    H    ASP  20           H        ASP  20  -3.650  -3.112   8.792
  143    HA   ASP  20           HA       ASP  20  -1.271  -2.891  10.175
  144   1HB   ASP  20          2HB       ASP  20  -1.413  -2.767   7.170
  145   2HB   ASP  20          1HB       ASP  20  -0.173  -3.499   8.176
  146    H    LEU  21           H        LEU  21   0.683  -1.710   9.066
  147    HA   LEU  21           HA       LEU  21   0.005   1.090   8.516
  148   1HB   LEU  21          2HB       LEU  21   0.443   1.092  10.866
  149   2HB   LEU  21          1HB       LEU  21   1.874   0.098  10.663
  150    HG   LEU  21           HG       LEU  21   3.074   1.914   9.641
  151   1HD1  LEU  21          1HD1      LEU  21   0.392   3.235   9.614
  152   2HD1  LEU  21          2HD1      LEU  21   1.568   3.063   8.312
  153   3HD1  LEU  21          3HD1      LEU  21   1.868   4.201   9.626
  154   1HD2  LEU  21          1HD2      LEU  21   3.517   2.994  11.566
  155   2HD2  LEU  21          2HD2      LEU  21   2.402   1.811  12.250
  156   3HD2  LEU  21          3HD2      LEU  21   1.829   3.426  11.837
  157    H    ILE  22           H        ILE  22   0.665   0.993   6.424
  158    HA   ILE  22           HA       ILE  22   3.287  -0.076   5.780
  159    HB   ILE  22           HB       ILE  22   1.721  -0.706   4.168
  160   1HG1  ILE  22          2HG1      ILE  22   3.854   0.550   3.333
  161   2HG1  ILE  22          1HG1      ILE  22   2.610   0.028   2.205
  162   1HG2  ILE  22          1HG2      ILE  22  -0.153   0.606   4.634
  163   2HG2  ILE  22          2HG2      ILE  22   0.294   1.008   2.975
  164   3HG2  ILE  22          3HG2      ILE  22   0.714   2.104   4.292
  165   1HD1  ILE  22          1HD1      ILE  22   2.359   2.752   3.343
  166   2HD1  ILE  22          2HD1      ILE  22   1.943   2.144   1.741
  167   3HD1  ILE  22          3HD1      ILE  22   3.624   2.463   2.153
  168    H    CYS  23           H        CYS  23   4.890   1.101   4.681
  169    HA   CYS  23           HA       CYS  23   4.770   4.021   5.147
  170   1HB   CYS  23          2HB       CYS  23   7.313   2.401   5.033
  171   2HB   CYS  23          1HB       CYS  23   7.101   4.045   5.623
  172    H    ALA  24           H        ALA  24   3.990   4.512   3.079
  173    HA   ALA  24           HA       ALA  24   5.524   3.531   0.808
  174   1HB   ALA  24          1HB       ALA  24   3.747   4.682  -0.543
  175   2HB   ALA  24          2HB       ALA  24   2.935   5.045   0.979
  176   3HB   ALA  24          3HB       ALA  24   3.186   3.371   0.491
  177    H    VAL  25           H        VAL  25   6.454   4.813  -0.730
  178    HA   VAL  25           HA       VAL  25   6.734   7.674  -0.261
  179    HB   VAL  25           HB       VAL  25   8.614   6.420   0.856
  180   1HG1  VAL  25          1HG1      VAL  25  10.439   5.629  -0.603
  181   2HG1  VAL  25          2HG1      VAL  25   9.375   5.834  -1.994
  182   3HG1  VAL  25          3HG1      VAL  25   8.971   4.663  -0.739
  183   1HG2  VAL  25          1HG2      VAL  25  10.098   8.130   0.439
  184   2HG2  VAL  25          2HG2      VAL  25   8.592   8.837  -0.146
  185   3HG2  VAL  25          3HG2      VAL  25   9.748   8.152  -1.289
  186    H    ILE  26           H        ILE  26   7.351   8.855  -2.078
  187    HA   ILE  26           HA       ILE  26   7.664   7.448  -4.609
  188    HB   ILE  26           HB       ILE  26   5.876   9.387  -5.377
  189   1HG1  ILE  26          2HG1      ILE  26   5.284   9.616  -2.916
  190   2HG1  ILE  26          1HG1      ILE  26   3.942   9.306  -4.008
  191   1HG2  ILE  26          1HG2      ILE  26   6.234   6.728  -5.743
  192   2HG2  ILE  26          2HG2      ILE  26   4.893   7.664  -6.400
  193   3HG2  ILE  26          3HG2      ILE  26   4.684   6.754  -4.905
  194   1HD1  ILE  26          1HD1      ILE  26   3.351   7.690  -2.613
  195   2HD1  ILE  26          2HD1      ILE  26   4.882   7.786  -1.743
  196   3HD1  ILE  26          3HD1      ILE  26   4.751   6.786  -3.191
  197    H    GLY  27           H        GLY  27   9.710   8.350  -4.658
  198   1HA   GLY  27          2HA       GLY  27  11.265   9.844  -5.437
  199   2HA   GLY  27          1HA       GLY  27   9.926  10.844  -5.979
  200    H    ASP  28           H        ASP  28   8.676  11.709  -3.909
  201    HA   ASP  28           HA       ASP  28  10.469  12.560  -1.805
  202   1HB   ASP  28          2HB       ASP  28   9.105  14.663  -3.490
  203   2HB   ASP  28          1HB       ASP  28  10.274  14.912  -2.196
  204    H    ALA  29           H        ALA  29   7.897  11.054  -2.221
  205    HA   ALA  29           HA       ALA  29   6.298  12.642  -0.318
  206   1HB   ALA  29          1HB       ALA  29   4.698  12.756  -1.866
  207   2HB   ALA  29          2HB       ALA  29   4.462  11.027  -1.612
  208   3HB   ALA  29          3HB       ALA  29   5.515  11.591  -2.908
  209    H    LYS  30           H        LYS  30   7.515  11.425   1.261
  210    HA   LYS  30           HA       LYS  30   6.887   8.580   1.435
  211   1HB   LYS  30          2HB       LYS  30   9.222   9.337   1.786
  212   2HB   LYS  30          1HB       LYS  30   8.691  10.275   3.172
  213   1HG   LYS  30          2HG       LYS  30   8.129   8.315   4.390
  214   2HG   LYS  30          1HG       LYS  30   8.351   7.296   2.966
  215   1HD   LYS  30          2HD       LYS  30  10.257   7.123   4.489
  216   2HD   LYS  30          1HD       LYS  30  10.734   7.833   2.945
  217   1HE   LYS  30          2HE       LYS  30  10.546  10.079   3.975
  218   2HE   LYS  30          1HE       LYS  30  10.197   9.308   5.521
  219   1HZ   LYS  30          1HZ       LYS  30  12.474   9.773   5.555
  220   2HZ   LYS  30          2HZ       LYS  30  12.715   9.238   3.969
  221   3HZ   LYS  30          3HZ       LYS  30  12.394   8.121   5.200
  222    H    GLU  31           H        GLU  31   4.857   8.321   2.218
  223    HA   GLU  31           HA       GLU  31   4.335   9.368   4.904
  224   1HB   GLU  31          2HB       GLU  31   3.131  10.468   2.675
  225   2HB   GLU  31          1HB       GLU  31   1.935   9.306   3.231
  226   1HG   GLU  31          2HG       GLU  31   2.405  10.408   5.561
  227   2HG   GLU  31          1HG       GLU  31   2.970  11.752   4.568
  228    H    GLU  32           H        GLU  32   3.022   8.056   6.192
  229    HA   GLU  32           HA       GLU  32   3.075   5.285   5.554
  230   1HB   GLU  32          2HB       GLU  32   1.413   6.530   7.734
  231   2HB   GLU  32          1HB       GLU  32   2.080   4.905   7.673
  232   1HG   GLU  32          2HG       GLU  32   4.050   5.549   8.506
  233   2HG   GLU  32          1HG       GLU  32   4.093   7.017   7.532
  234    H    HIS  33           H        HIS  33   1.079   3.921   5.853
  235    HA   HIS  33           HA       HIS  33  -1.427   5.075   5.068
  236   1HB   HIS  33          2HB       HIS  33   0.297   4.402   2.992
  237   2HB   HIS  33          1HB       HIS  33  -0.802   3.030   3.097
  238    HD1  HIS  33           1HD      HIS  33  -3.411   3.646   2.900
  239    HD2  HIS  33           2HD      HIS  33  -0.728   6.599   1.746
  240    HE1  HIS  33           1HE      HIS  33  -4.756   5.282   1.547
  241    HE2  HIS  33           2HE      HIS  33  -3.097   7.024   0.799
  242    H    ARG  34           H        ARG  34  -3.122   3.433   4.848
  243    HA   ARG  34           HA       ARG  34  -2.516   1.051   6.473
  244   1HB   ARG  34          2HB       ARG  34  -5.169   2.465   6.254
  245   2HB   ARG  34          1HB       ARG  34  -4.769   1.126   7.322
  246   1HG   ARG  34          2HG       ARG  34  -2.891   2.964   8.029
  247   2HG   ARG  34          1HG       ARG  34  -4.265   3.993   7.624
  248   1HD   ARG  34          2HD       ARG  34  -5.298   3.456   9.519
  249   2HD   ARG  34          1HD       ARG  34  -5.139   1.735   9.174
  250    HE   ARG  34           HE       ARG  34  -3.342   1.646  10.596
  251   1HH1  ARG  34          1HH1      ARG  34  -4.069   4.985   9.886
  252   2HH1  ARG  34          2HH1      ARG  34  -2.976   5.606  11.076
  253   1HH2  ARG  34          1HH2      ARG  34  -1.906   2.462  12.165
  254   2HH2  ARG  34          2HH2      ARG  34  -1.748   4.174  12.370
  255    H    ASN  35           H        ASN  35  -4.618   2.295   3.882
  256    HA   ASN  35           HA       ASN  35  -5.418  -0.364   3.102
  257   1HB   ASN  35          2HB       ASN  35  -6.313   2.289   2.568
  258   2HB   ASN  35          1HB       ASN  35  -5.966   1.518   1.028
  259   1HD2  ASN  35          1HD2      ASN  35  -7.104   0.026   4.009
  260   2HD2  ASN  35          2HD2      ASN  35  -8.611  -0.523   3.370
  261    H    MET  36           H        MET  36  -2.972  -0.758   3.076
  262    HA   MET  36           HA       MET  36  -1.321   0.118   1.037
  263   1HB   MET  36          2HB       MET  36   0.138  -1.518   1.744
  264   2HB   MET  36          1HB       MET  36  -0.898  -1.350   3.152
  265   1HG   MET  36          2HG       MET  36  -1.167  -3.482   1.043
  266   2HG   MET  36          1HG       MET  36  -0.407  -3.689   2.619
  267   1HE   MET  36          1HE       MET  36  -4.288  -5.111   1.823
  268   2HE   MET  36          2HE       MET  36  -2.806  -5.892   2.375
  269   3HE   MET  36          3HE       MET  36  -2.806  -4.962   0.877
  270    H    CYS  37           H        CYS  37  -4.062  -1.926   0.849
  271    HA   CYS  37           HA       CYS  37  -3.217  -3.265  -1.556
  272   1HB   CYS  37          2HB       CYS  37  -5.366  -4.322  -1.580
  273   2HB   CYS  37          1HB       CYS  37  -4.798  -4.310   0.083
  274    H    ALA  38           H        ALA  38  -5.525  -0.701  -0.751
  275    HA   ALA  38           HA       ALA  38  -6.339  -0.161  -3.400
  276   1HB   ALA  38          1HB       ALA  38  -7.542   0.572  -1.344
  277   2HB   ALA  38          2HB       ALA  38  -7.312   1.846  -2.541
  278   3HB   ALA  38          3HB       ALA  38  -6.286   1.786  -1.108
  279    H    LEU  39           H        LEU  39  -3.447   0.480  -1.756
  280    HA   LEU  39           HA       LEU  39  -2.708   2.768  -3.350
  281   1HB   LEU  39          2HB       LEU  39  -1.860   1.510  -0.959
  282   2HB   LEU  39          1HB       LEU  39  -0.486   1.559  -2.042
  283    HG   LEU  39           HG       LEU  39  -1.352   4.096  -2.299
  284   1HD1  LEU  39          1HD1      LEU  39  -2.125   4.991  -0.270
  285   2HD1  LEU  39          2HD1      LEU  39  -1.841   3.480   0.596
  286   3HD1  LEU  39          3HD1      LEU  39  -3.138   3.586  -0.593
  287   1HD2  LEU  39          1HD2      LEU  39   0.902   2.989  -1.530
  288   2HD2  LEU  39          2HD2      LEU  39   0.344   3.477   0.070
  289   3HD2  LEU  39          3HD2      LEU  39   0.568   4.687  -1.193
  290    H    CYS  40           H        CYS  40  -1.890  -0.650  -3.128
  291    HA   CYS  40           HA       CYS  40   0.078  -0.539  -5.165
  292   1HB   CYS  40          2HB       CYS  40   0.568  -2.514  -4.257
  293   2HB   CYS  40          1HB       CYS  40  -0.931  -2.494  -3.340
  294    H    CYS  41           H        CYS  41  -3.384  -1.138  -5.118
  295    HA   CYS  41           HA       CYS  41  -3.470  -2.043  -7.839
  296   1HB   CYS  41          2HB       CYS  41  -5.710  -2.326  -7.510
  297   2HB   CYS  41          1HB       CYS  41  -5.149  -2.347  -5.853
  298    H    GLU  42           H        GLU  42  -3.906   1.018  -6.190
  299    HA   GLU  42           HA       GLU  42  -4.711   2.408  -8.595
  300   1HB   GLU  42          2HB       GLU  42  -4.132   3.290  -5.781
  301   2HB   GLU  42          1HB       GLU  42  -4.444   4.447  -7.066
  302   1HG   GLU  42          2HG       GLU  42  -6.600   3.143  -7.473
  303   2HG   GLU  42          1HG       GLU  42  -6.291   2.394  -5.908
  304    H    HIS  43           H        HIS  43  -1.758   2.086  -6.712
  305    HA   HIS  43           HA       HIS  43  -0.345   4.104  -8.207
  306   1HB   HIS  43          2HB       HIS  43   0.538   2.091  -6.142
  307   2HB   HIS  43          1HB       HIS  43   1.633   3.239  -6.898
  308    HD1  HIS  43           1HD      HIS  43  -0.294   5.696  -6.876
  309    HD2  HIS  43           2HD      HIS  43   0.456   3.217  -3.629
  310    HE1  HIS  43           1HE      HIS  43  -0.841   7.069  -4.845
  311    HE2  HIS  43           2HE      HIS  43  -0.221   5.604  -2.894
  312    HA   PRO  44           HA       PRO  44   1.502   1.756 -11.418
  313   1HB   PRO  44          2HB       PRO  44   4.223   2.610 -10.759
  314   2HB   PRO  44          1HB       PRO  44   3.211   3.071 -12.130
  315   1HG   PRO  44          2HG       PRO  44   3.826   4.797 -10.145
  316   2HG   PRO  44          1HG       PRO  44   2.281   4.857 -11.013
  317   1HD   PRO  44          2HD       PRO  44   2.899   3.682  -8.322
  318   2HD   PRO  44          1HD       PRO  44   1.508   4.668  -8.822
  319    H    GLY  45           H        GLY  45   1.232  -0.380 -10.737
  320   1HA   GLY  45          2HA       GLY  45   1.897  -2.481 -10.089
  321   2HA   GLY  45          1HA       GLY  45   3.533  -1.933 -10.428
  322    H    GLY  46           H        GLY  46   1.753  -0.155  -8.083
  323   1HA   GLY  46          2HA       GLY  46   1.658  -0.478  -5.737
  324   2HA   GLY  46          1HA       GLY  46   2.917  -1.692  -5.876
  325    H    PHE  47           H        PHE  47   2.210   1.526  -5.112
  326    HA   PHE  47           HA       PHE  47   4.506   2.934  -5.742
  327   1HB   PHE  47          2HB       PHE  47   2.390   3.145  -3.724
  328   2HB   PHE  47          1HB       PHE  47   3.919   3.817  -3.184
  329    HD1  PHE  47           1HD      PHE  47   2.322   5.859  -3.072
  330    HD2  PHE  47           2HD      PHE  47   3.673   4.105  -6.706
  331    HE1  PHE  47           1HE      PHE  47   1.828   7.952  -4.264
  332    HE2  PHE  47           2HE      PHE  47   3.181   6.193  -7.902
  333    HZ   PHE  47           HZ       PHE  47   2.258   8.122  -6.682
  334    H    GLU  48           H        GLU  48   6.138   3.689  -3.928
  335    HA   GLU  48           HA       GLU  48   7.568   1.278  -3.189
  336   1HB   GLU  48          2HB       GLU  48   8.673   3.381  -4.010
  337   2HB   GLU  48          1HB       GLU  48   8.235   4.131  -2.483
  338   1HG   GLU  48          2HG       GLU  48  10.119   3.385  -1.626
  339   2HG   GLU  48          1HG       GLU  48   9.504   1.746  -1.807
  340    H    TYR  49           H        TYR  49   6.127   0.335  -1.650
  341    HA   TYR  49           HA       TYR  49   6.204   1.775   0.921
  342   1HB   TYR  49          2HB       TYR  49   4.179   0.571   1.561
  343   2HB   TYR  49          1HB       TYR  49   3.942   1.764   0.320
  344    HD1  TYR  49           1HD      TYR  49   3.663  -1.674   1.274
  345    HD2  TYR  49           2HD      TYR  49   3.560   0.987  -2.033
  346    HE1  TYR  49           1HE      TYR  49   2.480  -3.372  -0.030
  347    HE2  TYR  49           2HE      TYR  49   2.380  -0.701  -3.359
  348    HH   TYR  49           HH       TYR  49   0.758  -3.104  -2.250
  349    H    SER  50           H        SER  50   6.252   0.616   2.787
  350    HA   SER  50           HA       SER  50   7.073  -2.191   2.621
  351   1HB   SER  50          2HB       SER  50   8.875  -1.677   4.337
  352   2HB   SER  50          1HB       SER  50   9.194  -1.117   2.696
  353    HG   SER  50           HG       SER  50   8.434   0.379   4.963
  354    H    ASN  51           H        ASN  51   5.313  -2.969   3.620
  355    HA   ASN  51           HA       ASN  51   3.801  -1.793   5.583
  356   1HB   ASN  51          2HB       ASN  51   4.328  -4.736   5.219
  357   2HB   ASN  51          1HB       ASN  51   3.040  -4.054   6.205
  358   1HD2  ASN  51          1HD2      ASN  51   4.251  -4.414   2.938
  359   2HD2  ASN  51          2HD2      ASN  51   2.749  -4.101   2.144
  360    H    GLY  52           H        GLY  52   3.886  -1.514   7.674
  361   1HA   GLY  52          2HA       GLY  52   4.620  -2.447   9.868
  362   2HA   GLY  52          1HA       GLY  52   6.206  -2.627   9.135
  363    HA   PRO  53           HA       PRO  53   5.956   1.549  11.209
  364   1HB   PRO  53          2HB       PRO  53   7.635   1.161  13.256
  365   2HB   PRO  53          1HB       PRO  53   5.946   0.643  13.343
  366   1HG   PRO  53          2HG       PRO  53   8.401  -0.978  12.805
  367   2HG   PRO  53          1HG       PRO  53   6.994  -1.376  13.806
  368   1HD   PRO  53          2HD       PRO  53   7.383  -2.275  11.226
  369   2HD   PRO  53          1HD       PRO  53   5.801  -2.151  12.020
  370    H    CYS  54           H        CYS  54   7.148   2.949  10.075
  371    HA   CYS  54           HA       CYS  54  10.039   2.747  10.104
  372   1HB   CYS  54          2HB       CYS  54   9.348   3.337   7.388
  373   2HB   CYS  54          1HB       CYS  54  10.342   2.028   8.009
  374    H    GLU  55           H        GLU  55   7.238   4.478   8.773
  375    HA   GLU  55           HA       GLU  55   8.576   6.951   8.448
  376   1HB   GLU  55          2HB       GLU  55   6.128   5.943   7.716
  377   2HB   GLU  55          1HB       GLU  55   5.691   7.107   8.960
  378   1HG   GLU  55          2HG       GLU  55   7.632   8.139   7.049
  379   2HG   GLU  55          1HG       GLU  55   6.102   7.662   6.312
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1  11.255  -1.999   1.381
    2   2H    ALA   1          2H        ALA   1  11.796  -3.547   1.886
    3   3H    ALA   1          3H        ALA   1  10.117  -3.232   1.723
    4    HA   ALA   1           HA       ALA   1  12.042  -3.100  -0.491
    5   1HB   ALA   1          1HB       ALA   1  10.148  -5.345  -0.363
    6   2HB   ALA   1          2HB       ALA   1  11.450  -5.387   0.826
    7   3HB   ALA   1          3HB       ALA   1  11.828  -5.303  -0.894
    8    H    HIS   2           H        HIS   2  11.131  -2.553  -2.416
    9    HA   HIS   2           HA       HIS   2   8.360  -1.621  -2.311
   10   1HB   HIS   2          2HB       HIS   2   8.898  -0.206  -4.172
   11   2HB   HIS   2          1HB       HIS   2  10.191  -0.054  -2.991
   12    HD1  HIS   2           1HD      HIS   2  10.369   0.515  -6.135
   13    HD2  HIS   2           2HD      HIS   2  11.794  -2.837  -4.136
   14    HE1  HIS   2           1HE      HIS   2  12.179  -0.426  -7.604
   15    HE2  HIS   2           2HE      HIS   2  12.990  -2.484  -6.398
   16    H    MET   3           H        MET   3   7.265  -3.582  -2.606
   17    HA   MET   3           HA       MET   3   6.855  -4.343  -5.309
   18   1HB   MET   3          2HB       MET   3   7.575  -6.780  -4.925
   19   2HB   MET   3          1HB       MET   3   8.826  -5.591  -5.260
   20   1HG   MET   3          2HG       MET   3   8.261  -5.904  -2.419
   21   2HG   MET   3          1HG       MET   3   8.823  -7.385  -3.193
   22   1HE   MET   3          1HE       MET   3  10.900  -7.961  -3.806
   23   2HE   MET   3          2HE       MET   3  11.505  -7.605  -2.188
   24   3HE   MET   3          3HE       MET   3  12.404  -7.064  -3.605
   25    H    ASP   4           H        ASP   4   6.466  -5.207  -1.901
   26    HA   ASP   4           HA       ASP   4   4.430  -7.062  -2.083
   27   1HB   ASP   4          2HB       ASP   4   5.699  -5.792  -0.024
   28   2HB   ASP   4          1HB       ASP   4   4.073  -5.126   0.104
   29    H    CYS   5           H        CYS   5   2.236  -7.026  -2.240
   30    HA   CYS   5           HA       CYS   5   0.812  -4.501  -2.407
   31   1HB   CYS   5          2HB       CYS   5   0.774  -6.436  -4.734
   32   2HB   CYS   5          1HB       CYS   5  -0.085  -4.903  -4.625
   33    H    THR   6           H        THR   6  -1.321  -6.202  -3.953
   34    HA   THR   6           HA       THR   6  -2.789  -6.942  -1.658
   35    HB   THR   6           HB       THR   6  -3.190  -6.930  -4.567
   36    HG1  THR   6           1HG      THR   6  -5.014  -6.695  -2.422
   37   1HG2  THR   6          1HG2      THR   6  -3.755  -9.178  -4.581
   38   2HG2  THR   6          2HG2      THR   6  -5.297  -8.379  -4.277
   39   3HG2  THR   6          3HG2      THR   6  -4.413  -9.125  -2.946
   40    H    GLU   7           H        GLU   7  -1.798  -9.096  -4.355
   41    HA   GLU   7           HA       GLU   7  -0.403 -10.943  -2.813
   42   1HB   GLU   7          2HB       GLU   7  -3.357 -11.296  -2.949
   43   2HB   GLU   7          1HB       GLU   7  -2.345 -12.729  -3.063
   44   1HG   GLU   7          2HG       GLU   7  -1.301 -11.318  -0.929
   45   2HG   GLU   7          1HG       GLU   7  -3.047 -11.132  -0.773
   46    H    PHE   8           H        PHE   8  -2.407 -10.213  -5.607
   47    HA   PHE   8           HA       PHE   8  -0.549 -11.634  -7.304
   48   1HB   PHE   8          2HB       PHE   8  -2.316 -13.288  -6.276
   49   2HB   PHE   8          1HB       PHE   8  -3.349 -12.634  -7.539
   50    HD1  PHE   8           1HD      PHE   8  -3.569 -14.301  -9.104
   51    HD2  PHE   8           2HD      PHE   8   0.286 -13.376  -7.566
   52    HE1  PHE   8           1HE      PHE   8  -2.553 -15.855 -10.730
   53    HE2  PHE   8           2HE      PHE   8   1.313 -14.924  -9.186
   54    HZ   PHE   8           HZ       PHE   8  -0.108 -16.165 -10.770
   55    H    ASN   9           H        ASN   9  -2.854 -11.983  -9.298
   56    HA   ASN   9           HA       ASN   9  -2.472  -9.535 -10.667
   57   1HB   ASN   9          2HB       ASN   9  -4.236 -11.931 -11.123
   58   2HB   ASN   9          1HB       ASN   9  -4.375 -10.499 -12.140
   59   1HD2  ASN   9          1HD2      ASN   9  -3.217 -13.420 -12.240
   60   2HD2  ASN   9          2HD2      ASN   9  -1.760 -13.197 -13.141
   61    HA   PRO  10           HA       PRO  10  -7.051  -8.615  -9.411
   62   1HB   PRO  10          2HB       PRO  10  -8.038 -10.049  -7.307
   63   2HB   PRO  10          1HB       PRO  10  -8.290 -10.518  -8.992
   64   1HG   PRO  10          2HG       PRO  10  -6.308 -11.559  -7.011
   65   2HG   PRO  10          1HG       PRO  10  -7.272 -12.447  -8.204
   66   1HD   PRO  10          2HD       PRO  10  -4.666 -11.848  -8.595
   67   2HD   PRO  10          1HD       PRO  10  -5.828 -11.948  -9.930
   68    H    LEU  11           H        LEU  11  -5.187  -7.186  -8.750
   69    HA   LEU  11           HA       LEU  11  -3.988  -6.985  -6.325
   70   1HB   LEU  11          2HB       LEU  11  -5.023  -4.565  -7.751
   71   2HB   LEU  11          1HB       LEU  11  -3.602  -4.698  -6.741
   72    HG   LEU  11           HG       LEU  11  -2.621  -4.613  -8.788
   73   1HD1  LEU  11          1HD1      LEU  11  -1.699  -6.577  -7.960
   74   2HD1  LEU  11          2HD1      LEU  11  -2.170  -6.987  -9.609
   75   3HD1  LEU  11          3HD1      LEU  11  -3.166  -7.507  -8.253
   76   1HD2  LEU  11          1HD2      LEU  11  -4.097  -4.423 -10.452
   77   2HD2  LEU  11          2HD2      LEU  11  -5.211  -5.585  -9.737
   78   3HD2  LEU  11          3HD2      LEU  11  -3.829  -6.150 -10.675
   79    H    CYS  12           H        CYS  12  -4.653  -4.485  -5.334
   80    HA   CYS  12           HA       CYS  12  -5.720  -4.654  -3.047
   81   1HB   CYS  12          2HB       CYS  12  -6.777  -2.504  -3.113
   82   2HB   CYS  12          1HB       CYS  12  -5.326  -2.477  -4.102
   83    H    ARG  13           H        ARG  13  -6.822  -6.734  -3.447
   84    HA   ARG  13           HA       ARG  13  -9.696  -6.465  -3.938
   85   1HB   ARG  13          2HB       ARG  13  -8.096  -8.416  -4.737
   86   2HB   ARG  13          1HB       ARG  13  -8.415  -9.044  -3.125
   87   1HG   ARG  13          2HG       ARG  13 -10.025 -10.080  -4.417
   88   2HG   ARG  13          1HG       ARG  13 -10.898  -8.711  -3.727
   89   1HD   ARG  13          2HD       ARG  13 -11.371  -7.954  -5.760
   90   2HD   ARG  13          1HD       ARG  13  -9.654  -7.884  -6.158
   91    HE   ARG  13           HE       ARG  13 -10.327 -10.517  -6.448
   92   1HH1  ARG  13          1HH1      ARG  13 -11.487  -7.511  -7.789
   93   2HH1  ARG  13          2HH1      ARG  13 -11.973  -8.224  -9.290
   94   1HH2  ARG  13          1HH2      ARG  13 -10.968 -11.457  -8.421
   95   2HH2  ARG  13          2HH2      ARG  13 -11.680 -10.465  -9.649
   96    H    CYS  14           H        CYS  14  -8.461  -5.212  -1.638
   97    HA   CYS  14           HA       CYS  14  -9.905  -6.620   0.480
   98   1HB   CYS  14          2HB       CYS  14  -8.192  -6.402   2.011
   99   2HB   CYS  14          1HB       CYS  14  -7.277  -6.663   0.536
  100    H    ASN  15           H        ASN  15 -11.610  -5.453   0.918
  101    HA   ASN  15           HA       ASN  15 -11.677  -2.596   0.504
  102   1HB   ASN  15          2HB       ASN  15 -13.608  -4.679   0.741
  103   2HB   ASN  15          1HB       ASN  15 -13.961  -3.473   1.963
  104   1HD2  ASN  15          1HD2      ASN  15 -13.004  -1.220   0.540
  105   2HD2  ASN  15          2HD2      ASN  15 -14.099  -0.918  -0.760
  106    H    LYS  16           H        LYS  16 -12.148  -4.763   3.236
  107    HA   LYS  16           HA       LYS  16 -12.623  -3.503   5.407
  108   1HB   LYS  16          2HB       LYS  16 -11.521  -5.780   5.220
  109   2HB   LYS  16          1HB       LYS  16  -9.979  -4.942   5.310
  110   1HG   LYS  16          2HG       LYS  16 -10.122  -5.134   7.513
  111   2HG   LYS  16          1HG       LYS  16 -11.421  -3.941   7.455
  112   1HD   LYS  16          2HD       LYS  16 -12.173  -5.877   8.683
  113   2HD   LYS  16          1HD       LYS  16 -13.045  -5.784   7.151
  114   1HE   LYS  16          2HE       LYS  16 -12.183  -8.074   7.857
  115   2HE   LYS  16          1HE       LYS  16 -11.811  -7.547   6.216
  116   1HZ   LYS  16          1HZ       LYS  16  -9.909  -8.559   7.405
  117   2HZ   LYS  16          2HZ       LYS  16  -9.944  -7.279   8.509
  118   3HZ   LYS  16          3HZ       LYS  16  -9.604  -6.978   6.880
  119    H    MET  17           H        MET  17 -12.171  -1.321   4.332
  120    HA   MET  17           HA       MET  17  -9.810   0.029   4.239
  121   1HB   MET  17          2HB       MET  17 -12.554   0.842   4.987
  122   2HB   MET  17          1HB       MET  17 -11.253   2.000   5.213
  123   1HG   MET  17          2HG       MET  17 -11.743   2.581   3.105
  124   2HG   MET  17          1HG       MET  17 -10.734   1.194   2.700
  125   1HE   MET  17          1HE       MET  17 -14.919   1.787   3.367
  126   2HE   MET  17          2HE       MET  17 -14.893   2.057   1.625
  127   3HE   MET  17          3HE       MET  17 -13.810   2.969   2.675
  128    H    LEU  18           H        LEU  18  -8.833  -1.322   6.054
  129    HA   LEU  18           HA       LEU  18  -8.039   0.395   8.123
  130   1HB   LEU  18          2HB       LEU  18  -8.842  -0.933  10.040
  131   2HB   LEU  18          1HB       LEU  18 -10.137  -0.165   9.145
  132    HG   LEU  18           HG       LEU  18  -9.986  -2.657   7.974
  133   1HD1  LEU  18          1HD1      LEU  18 -10.274  -3.947  10.327
  134   2HD1  LEU  18          2HD1      LEU  18  -8.997  -2.802  10.739
  135   3HD1  LEU  18          3HD1      LEU  18  -8.779  -3.918   9.392
  136   1HD2  LEU  18          1HD2      LEU  18 -12.008  -1.401   8.579
  137   2HD2  LEU  18          2HD2      LEU  18 -11.739  -1.802  10.275
  138   3HD2  LEU  18          3HD2      LEU  18 -12.090  -3.080   9.111
  139    H    GLY  19           H        GLY  19  -6.451  -0.635   6.408
  140   1HA   GLY  19          2HA       GLY  19  -5.461  -3.245   7.176
  141   2HA   GLY  19          1HA       GLY  19  -4.818  -2.218   5.907
  142    H    ASP  20           H        ASP  20  -2.796  -3.099   6.904
  143    HA   ASP  20           HA       ASP  20  -1.949  -2.265   9.462
  144   1HB   ASP  20          2HB       ASP  20  -0.054  -2.825   7.200
  145   2HB   ASP  20          1HB       ASP  20   0.137  -3.169   8.913
  146    H    LEU  21           H        LEU  21   0.227  -0.994   9.574
  147    HA   LEU  21           HA       LEU  21  -0.321   1.638   8.461
  148   1HB   LEU  21          2HB       LEU  21   1.666   2.157  10.104
  149   2HB   LEU  21          1HB       LEU  21   0.026   1.947  10.686
  150    HG   LEU  21           HG       LEU  21   0.556  -0.382  11.281
  151   1HD1  LEU  21          1HD1      LEU  21   3.306   0.378  10.350
  152   2HD1  LEU  21          2HD1      LEU  21   2.281  -0.918   9.736
  153   3HD1  LEU  21          3HD1      LEU  21   2.967  -1.027  11.358
  154   1HD2  LEU  21          1HD2      LEU  21   1.947   1.955  12.454
  155   2HD2  LEU  21          2HD2      LEU  21   2.428   0.356  13.020
  156   3HD2  LEU  21          3HD2      LEU  21   0.749   0.875  13.166
  157    H    ILE  22           H        ILE  22   0.397   0.832   6.341
  158    HA   ILE  22           HA       ILE  22   3.196   0.286   5.951
  159    HB   ILE  22           HB       ILE  22   1.853  -0.796   4.358
  160   1HG1  ILE  22          2HG1      ILE  22   3.823   0.756   3.489
  161   2HG1  ILE  22          1HG1      ILE  22   2.831  -0.195   2.399
  162   1HG2  ILE  22          1HG2      ILE  22   0.288   0.613   2.880
  163   2HG2  ILE  22          2HG2      ILE  22   0.413   1.811   4.167
  164   3HG2  ILE  22          3HG2      ILE  22  -0.230   0.205   4.516
  165   1HD1  ILE  22          1HD1      ILE  22   2.338   2.699   3.034
  166   2HD1  ILE  22          2HD1      ILE  22   1.514   1.717   1.825
  167   3HD1  ILE  22          3HD1      ILE  22   3.221   2.110   1.628
  168    H    CYS  23           H        CYS  23   4.716   1.573   4.922
  169    HA   CYS  23           HA       CYS  23   4.041   4.445   4.819
  170   1HB   CYS  23          2HB       CYS  23   6.800   3.309   5.286
  171   2HB   CYS  23          1HB       CYS  23   6.268   4.973   5.502
  172    H    ALA  24           H        ALA  24   3.422   4.323   2.617
  173    HA   ALA  24           HA       ALA  24   5.278   3.288   0.690
  174   1HB   ALA  24          1HB       ALA  24   3.188   4.851  -0.494
  175   2HB   ALA  24          2HB       ALA  24   2.548   3.725   0.699
  176   3HB   ALA  24          3HB       ALA  24   3.526   3.127  -0.636
  177    H    VAL  25           H        VAL  25   5.901   4.560  -1.210
  178    HA   VAL  25           HA       VAL  25   6.314   7.394  -0.710
  179    HB   VAL  25           HB       VAL  25   8.684   5.695  -1.429
  180   1HG1  VAL  25          1HG1      VAL  25   8.171   8.486  -1.301
  181   2HG1  VAL  25          2HG1      VAL  25   9.672   7.660  -1.719
  182   3HG1  VAL  25          3HG1      VAL  25   9.336   8.079  -0.040
  183   1HG2  VAL  25          1HG2      VAL  25   7.624   6.394   1.279
  184   2HG2  VAL  25          2HG2      VAL  25   9.355   6.189   1.019
  185   3HG2  VAL  25          3HG2      VAL  25   8.250   4.854   0.691
  186    H    ILE  26           H        ILE  26   6.530   8.603  -2.477
  187    HA   ILE  26           HA       ILE  26   6.332   7.252  -5.089
  188    HB   ILE  26           HB       ILE  26   5.489   9.822  -5.551
  189   1HG1  ILE  26          2HG1      ILE  26   5.423  10.122  -3.029
  190   2HG1  ILE  26          1HG1      ILE  26   3.941  10.509  -3.892
  191   1HG2  ILE  26          1HG2      ILE  26   4.581   7.559  -6.274
  192   2HG2  ILE  26          2HG2      ILE  26   3.429   8.880  -6.089
  193   3HG2  ILE  26          3HG2      ILE  26   3.563   7.645  -4.840
  194   1HD1  ILE  26          1HD1      ILE  26   3.874   9.134  -1.683
  195   2HD1  ILE  26          2HD1      ILE  26   4.283   7.784  -2.741
  196   3HD1  ILE  26          3HD1      ILE  26   2.812   8.714  -3.026
  197    H    GLY  27           H        GLY  27   8.599   7.216  -5.312
  198   1HA   GLY  27          2HA       GLY  27  10.544   7.989  -6.265
  199   2HA   GLY  27          1HA       GLY  27   9.697   9.489  -6.621
  200    H    ASP  28           H        ASP  28   9.111  10.624  -4.374
  201    HA   ASP  28           HA       ASP  28  11.267  10.490  -2.462
  202   1HB   ASP  28          2HB       ASP  28  11.941  12.836  -2.729
  203   2HB   ASP  28          1HB       ASP  28  12.243  11.918  -4.201
  204    H    ALA  29           H        ALA  29   8.254  10.309  -2.686
  205    HA   ALA  29           HA       ALA  29   7.681  12.222  -0.513
  206   1HB   ALA  29          1HB       ALA  29   5.232  11.870  -1.678
  207   2HB   ALA  29          2HB       ALA  29   6.310  11.909  -3.073
  208   3HB   ALA  29          3HB       ALA  29   6.295  13.254  -1.933
  209    H    LYS  30           H        LYS  30   7.723  10.872   1.196
  210    HA   LYS  30           HA       LYS  30   6.436   8.272   1.033
  211   1HB   LYS  30          2HB       LYS  30   8.591   8.367   2.126
  212   2HB   LYS  30          1HB       LYS  30   8.019   9.608   3.232
  213   1HG   LYS  30          2HG       LYS  30   6.334   7.894   4.049
  214   2HG   LYS  30          1HG       LYS  30   7.274   6.701   3.151
  215   1HD   LYS  30          2HD       LYS  30   8.464   8.539   5.220
  216   2HD   LYS  30          1HD       LYS  30   7.860   6.922   5.589
  217   1HE   LYS  30          2HE       LYS  30   9.459   6.371   3.490
  218   2HE   LYS  30          1HE       LYS  30  10.304   7.763   4.167
  219   1HZ   LYS  30          1HZ       LYS  30  10.688   5.271   4.997
  220   2HZ   LYS  30          2HZ       LYS  30   9.466   5.735   6.070
  221   3HZ   LYS  30          3HZ       LYS  30  10.905   6.621   5.993
  222    H    GLU  31           H        GLU  31   4.757   7.584   2.374
  223    HA   GLU  31           HA       GLU  31   3.439   9.376   4.189
  224   1HB   GLU  31          2HB       GLU  31   2.710   9.795   1.627
  225   2HB   GLU  31          1HB       GLU  31   1.603   8.492   2.034
  226   1HG   GLU  31          2HG       GLU  31   1.750  10.631   4.029
  227   2HG   GLU  31          1HG       GLU  31   1.129  11.127   2.456
  228    H    GLU  32           H        GLU  32   1.614   8.333   5.288
  229    HA   GLU  32           HA       GLU  32   2.043   5.452   5.445
  230   1HB   GLU  32          2HB       GLU  32   0.941   7.518   7.255
  231   2HB   GLU  32          1HB       GLU  32   0.222   5.918   7.373
  232   1HG   GLU  32          2HG       GLU  32   2.231   4.928   8.020
  233   2HG   GLU  32          1HG       GLU  32   3.191   6.299   7.469
  234    H    HIS  33           H        HIS  33   0.415   3.929   5.287
  235    HA   HIS  33           HA       HIS  33  -2.214   4.818   4.386
  236   1HB   HIS  33          2HB       HIS  33  -0.650   2.760   2.831
  237   2HB   HIS  33          1HB       HIS  33  -2.235   3.415   2.439
  238    HD1  HIS  33           1HD      HIS  33   1.350   4.000   1.993
  239    HD2  HIS  33           2HD      HIS  33  -2.163   6.143   1.523
  240    HE1  HIS  33           1HE      HIS  33   1.945   5.935   0.513
  241    HE2  HIS  33           2HE      HIS  33  -0.167   7.303   0.360
  242    H    ARG  34           H        ARG  34  -3.858   3.414   4.798
  243    HA   ARG  34           HA       ARG  34  -3.292   1.338   6.745
  244   1HB   ARG  34          2HB       ARG  34  -5.621   2.915   5.917
  245   2HB   ARG  34          1HB       ARG  34  -5.983   1.253   6.352
  246   1HG   ARG  34          2HG       ARG  34  -6.214   2.841   8.233
  247   2HG   ARG  34          1HG       ARG  34  -5.049   1.552   8.538
  248   1HD   ARG  34          2HD       ARG  34  -3.521   3.554   7.400
  249   2HD   ARG  34          1HD       ARG  34  -4.661   4.433   8.417
  250    HE   ARG  34           HE       ARG  34  -2.524   2.703   9.287
  251   1HH1  ARG  34          1HH1      ARG  34  -5.556   4.199  10.158
  252   2HH1  ARG  34          2HH1      ARG  34  -5.252   4.111  11.861
  253   1HH2  ARG  34          1HH2      ARG  34  -2.127   2.582  11.525
  254   2HH2  ARG  34          2HH2      ARG  34  -3.306   3.193  12.637
  255    H    ASN  35           H        ASN  35  -5.483   1.453   3.930
  256    HA   ASN  35           HA       ASN  35  -5.327  -1.404   3.621
  257   1HB   ASN  35          2HB       ASN  35  -6.830   0.805   2.280
  258   2HB   ASN  35          1HB       ASN  35  -6.660  -0.733   1.436
  259   1HD2  ASN  35          1HD2      ASN  35  -8.793  -1.316   1.575
  260   2HD2  ASN  35          2HD2      ASN  35  -9.570  -1.717   3.064
  261    H    MET  36           H        MET  36  -3.011  -1.322   3.422
  262    HA   MET  36           HA       MET  36  -1.475  -0.208   1.489
  263   1HB   MET  36          2HB       MET  36  -0.079  -1.353   2.797
  264   2HB   MET  36          1HB       MET  36  -1.350  -2.446   3.303
  265   1HG   MET  36          2HG       MET  36   0.368  -3.764   2.357
  266   2HG   MET  36          1HG       MET  36  -0.963  -3.753   1.210
  267   1HE   MET  36          1HE       MET  36   1.788  -0.398   0.027
  268   2HE   MET  36          2HE       MET  36   1.158  -0.612   1.656
  269   3HE   MET  36          3HE       MET  36   0.048  -0.394   0.305
  270    H    CYS  37           H        CYS  37  -3.780  -2.797   1.096
  271    HA   CYS  37           HA       CYS  37  -2.827  -3.813  -1.356
  272   1HB   CYS  37          2HB       CYS  37  -5.766  -3.744  -1.022
  273   2HB   CYS  37          1HB       CYS  37  -4.716  -5.090  -1.420
  274    H    ALA  38           H        ALA  38  -5.488  -1.549  -0.748
  275    HA   ALA  38           HA       ALA  38  -5.905  -0.759  -3.394
  276   1HB   ALA  38          1HB       ALA  38  -7.333  -0.267  -1.336
  277   2HB   ALA  38          2HB       ALA  38  -7.185   1.015  -2.538
  278   3HB   ALA  38          3HB       ALA  38  -6.240   1.088  -1.050
  279    H    LEU  39           H        LEU  39  -3.292  -0.148  -1.303
  280    HA   LEU  39           HA       LEU  39  -2.470   2.332  -2.415
  281   1HB   LEU  39          2HB       LEU  39  -1.684   0.635  -0.272
  282   2HB   LEU  39          1HB       LEU  39  -0.270   0.919  -1.263
  283    HG   LEU  39           HG       LEU  39  -0.798   2.482   0.744
  284   1HD1  LEU  39          1HD1      LEU  39   1.046   3.187  -0.314
  285   2HD1  LEU  39          2HD1      LEU  39  -0.027   4.442  -0.928
  286   3HD1  LEU  39          3HD1      LEU  39   0.326   3.023  -1.914
  287   1HD2  LEU  39          1HD2      LEU  39  -2.467   3.964   0.597
  288   2HD2  LEU  39          2HD2      LEU  39  -3.121   2.912  -0.653
  289   3HD2  LEU  39          3HD2      LEU  39  -2.136   4.304  -1.099
  290    H    CYS  40           H        CYS  40  -1.277  -1.006  -2.834
  291    HA   CYS  40           HA       CYS  40   0.590  -0.159  -4.838
  292   1HB   CYS  40          2HB       CYS  40   1.028  -2.184  -3.523
  293   2HB   CYS  40          1HB       CYS  40  -0.387  -2.956  -4.236
  294    H    CYS  41           H        CYS  41  -2.729  -1.110  -4.861
  295    HA   CYS  41           HA       CYS  41  -2.750  -1.687  -7.684
  296   1HB   CYS  41          2HB       CYS  41  -4.749  -2.584  -7.314
  297   2HB   CYS  41          1HB       CYS  41  -4.330  -2.451  -5.621
  298    H    GLU  42           H        GLU  42  -3.514   0.976  -5.572
  299    HA   GLU  42           HA       GLU  42  -4.605   2.542  -7.790
  300   1HB   GLU  42          2HB       GLU  42  -5.690   2.501  -5.528
  301   2HB   GLU  42          1HB       GLU  42  -4.300   3.384  -4.912
  302   1HG   GLU  42          2HG       GLU  42  -4.787   5.197  -6.511
  303   2HG   GLU  42          1HG       GLU  42  -6.230   4.322  -7.022
  304    H    HIS  43           H        HIS  43  -1.690   2.381  -5.868
  305    HA   HIS  43           HA       HIS  43  -0.786   4.999  -6.664
  306   1HB   HIS  43          2HB       HIS  43   0.247   2.825  -4.945
  307   2HB   HIS  43          1HB       HIS  43   1.425   3.930  -5.625
  308    HD1  HIS  43           1HD      HIS  43   1.277   6.427  -4.895
  309    HD2  HIS  43           2HD      HIS  43  -1.433   3.915  -3.001
  310    HE1  HIS  43           1HE      HIS  43   0.350   7.763  -2.978
  311    HE2  HIS  43           2HE      HIS  43  -1.374   6.263  -1.919
  312    HA   PRO  44           HA       PRO  44   1.672   4.532 -10.227
  313   1HB   PRO  44          2HB       PRO  44   4.200   4.547  -8.639
  314   2HB   PRO  44          1HB       PRO  44   3.739   5.534 -10.031
  315   1HG   PRO  44          2HG       PRO  44   3.684   6.586  -7.606
  316   2HG   PRO  44          1HG       PRO  44   2.374   6.930  -8.751
  317   1HD   PRO  44          2HD       PRO  44   2.412   5.056  -6.415
  318   2HD   PRO  44          1HD       PRO  44   1.107   6.122  -6.975
  319    H    GLY  45           H        GLY  45   0.960   2.343 -10.543
  320   1HA   GLY  45          2HA       GLY  45   1.218   0.050 -10.731
  321   2HA   GLY  45          1HA       GLY  45   2.774   0.540 -11.378
  322    H    GLY  46           H        GLY  46   1.831   1.010  -8.035
  323   1HA   GLY  46          2HA       GLY  46   2.485  -0.094  -6.109
  324   2HA   GLY  46          1HA       GLY  46   3.175  -1.361  -7.111
  325    H    PHE  47           H        PHE  47   3.753   2.076  -6.360
  326    HA   PHE  47           HA       PHE  47   6.460   2.115  -7.010
  327   1HB   PHE  47          2HB       PHE  47   6.570   4.086  -5.421
  328   2HB   PHE  47          1HB       PHE  47   5.376   4.195  -6.706
  329    HD1  PHE  47           1HD      PHE  47   4.244   1.902  -4.257
  330    HD2  PHE  47           2HD      PHE  47   4.669   6.051  -5.058
  331    HE1  PHE  47           1HE      PHE  47   2.488   2.395  -2.611
  332    HE2  PHE  47           2HE      PHE  47   2.914   6.554  -3.412
  333    HZ   PHE  47           HZ       PHE  47   1.821   4.727  -2.197
  334    H    GLU  48           H        GLU  48   6.455   3.085  -3.736
  335    HA   GLU  48           HA       GLU  48   7.491   0.443  -2.916
  336   1HB   GLU  48          2HB       GLU  48   9.412   1.510  -1.815
  337   2HB   GLU  48          1HB       GLU  48   9.424   1.758  -3.556
  338   1HG   GLU  48          2HG       GLU  48   8.355   4.007  -3.097
  339   2HG   GLU  48          1HG       GLU  48   8.754   3.732  -1.401
  340    H    TYR  49           H        TYR  49   7.495   0.004  -0.691
  341    HA   TYR  49           HA       TYR  49   6.107   1.891   1.069
  342   1HB   TYR  49          2HB       TYR  49   4.488   0.456   1.794
  343   2HB   TYR  49          1HB       TYR  49   4.488   0.152   0.089
  344    HD1  TYR  49           1HD      TYR  49   3.312  -1.655   2.143
  345    HD2  TYR  49           2HD      TYR  49   7.209  -1.548   0.451
  346    HE1  TYR  49           1HE      TYR  49   3.578  -4.026   2.649
  347    HE2  TYR  49           2HE      TYR  49   7.489  -3.933   0.954
  348    HH   TYR  49           HH       TYR  49   5.321  -5.655   2.984
  349    H    SER  50           H        SER  50   6.004   0.994   3.282
  350    HA   SER  50           HA       SER  50   8.208  -0.690   4.077
  351   1HB   SER  50          2HB       SER  50   8.255   1.966   5.394
  352   2HB   SER  50          1HB       SER  50   9.574   0.847   5.060
  353    HG   SER  50           HG       SER  50   9.815   1.682   3.099
  354    H    ASN  51           H        ASN  51   6.403  -1.851   4.815
  355    HA   ASN  51           HA       ASN  51   4.429  -0.899   6.504
  356   1HB   ASN  51          2HB       ASN  51   5.616  -3.646   6.294
  357   2HB   ASN  51          1HB       ASN  51   4.243  -3.270   7.322
  358   1HD2  ASN  51          1HD2      ASN  51   3.559  -5.077   5.708
  359   2HD2  ASN  51          2HD2      ASN  51   2.700  -4.508   4.321
  360    H    GLY  52           H        GLY  52   4.274  -0.431   8.509
  361   1HA   GLY  52          2HA       GLY  52   4.964  -0.981  10.848
  362   2HA   GLY  52          1HA       GLY  52   6.617  -0.873  10.262
  363    HA   PRO  53           HA       PRO  53   5.142   3.288  11.917
  364   1HB   PRO  53          2HB       PRO  53   6.838   3.496  14.012
  365   2HB   PRO  53          1HB       PRO  53   5.268   2.692  14.138
  366   1HG   PRO  53          2HG       PRO  53   7.988   1.491  13.779
  367   2HG   PRO  53          1HG       PRO  53   6.671   0.975  14.849
  368   1HD   PRO  53          2HD       PRO  53   7.186  -0.222  12.467
  369   2HD   PRO  53          1HD       PRO  53   5.553  -0.113  13.154
  370    H    CYS  54           H        CYS  54   6.000   4.477  10.269
  371    HA   CYS  54           HA       CYS  54   8.857   5.121  10.481
  372   1HB   CYS  54          2HB       CYS  54   7.985   5.318   7.733
  373   2HB   CYS  54          1HB       CYS  54   9.347   4.434   8.406
  374    H    GLU  55           H        GLU  55   6.100   6.120   8.448
  375    HA   GLU  55           HA       GLU  55   6.820   8.820   8.337
  376   1HB   GLU  55          2HB       GLU  55   5.099   7.479   6.927
  377   2HB   GLU  55          1HB       GLU  55   3.959   7.918   8.190
  378   1HG   GLU  55          2HG       GLU  55   3.938   9.418   6.211
  379   2HG   GLU  55          1HG       GLU  55   4.228  10.237   7.744