*HEADER   METALLOTHIONEIN                         31-JUL-97   1AQS    
*TITLE    CU-METALLOTHIONEIN FROM SACCHAROMYCES CEREVISIAE, NMR,      
*TITLE   2 10 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CU-METALLOTHIONEIN;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: CU-MT;                                            
*COMPND  5 BIOLOGICAL_UNIT: MONOMER                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;             
*SOURCE  3 ORGANISM_COMMON: BAKER'S YEAST;                            
*SOURCE  4 STRAIN: 2180                                               
*KEYWDS   METALLOTHIONEIN, COPPER DETOXIFICATION, METAL-THIOLATE      
*KEYWDS  2 CLUSTER                                                    
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   C.W.PETERSON,S.S.NARULA,I.M.ARMITAGE                        
*REVDAT  1   24-DEC-97 1AQS    0                                      
 
!NOE data for Cu-MT

set message=off echo=off end
!
class     1a
assign (resid   20 and name CU   )(resid    7 and name SG   )  2.25 0.2 0.2  
assign (resid   30 and name CU   )(resid   11 and name SG   )  2.25 0.2 0.2
assign (resid   38 and name CU   )(resid   14 and name SG   )  2.25 0.2 0.2
!assign (resid   49 and name CU   )(resid   14 and name SG   )  2.25 0.0 0.2
!assign (resid   50 and name CU   )(resid   26 and name SG   )  2.25 0.0 0.2
assign (resid    9 and name CU   )(resid    7 and name SG   )  2.25 0.2 0.2 
assign (resid    9 and name CU   )(resid   24 and name SG   )  2.25 0.2 0.2 
assign (resid   14 and name CU   )(resid   11 and name SG   )  2.25 0.2 0.2 
assign (resid   14 and name CU   )(resid   36 and name SG   )  2.25 0.2 0.2
assign (resid   26 and name CU   )(resid   24 and name SG   )  2.25 0.2 0.2
assign (resid   26 and name CU   )(resid   38 and name SG   )  2.25 0.2 0.2
assign (resid   36 and name CU   )(resid   30 and name SG   )  2.25 0.2 0.2 
assign (resid   36 and name CU   )(resid   26 and name SG   )  2.25 0.2 0.2 
scale     1a 500.
!
class     1b
assign (resid    7 and name SG   )(resid   20 and name SG   )  4.50 0.0 0.0!t?
assign (resid    7 and name SG   )(resid    9 and name SG   )  3.90 0.50 0.50
assign (resid    9 and name SG   )(resid   24 and name SG   )  3.90 0.50 0.50
assign (resid    7 and name SG   )(resid   24 and name SG   )  3.90 0.50 0.50
assign (resid   24 and name SG   )(resid   38 and name SG   )  3.90 0.50 0.50
assign (resid   38 and name SG   )(resid   14 and name SG   )  3.90 0.50 0.50
assign (resid   14 and name SG   )(resid   36 and name SG   )  3.90 0.50 0.50
assign (resid   11 and name SG   )(resid   14 and name SG   )  3.90 0.50 0.50
assign (resid   11 and name SG   )(resid   30 and name SG   )  4.50 0.0 0.0!t?
assign (resid   11 and name SG   )(resid   36 and name SG   )  3.90 0.50 0.50
assign (resid   30 and name SG   )(resid   26 and name SG   )  3.90 0.50 0.50 
assign (resid   30 and name SG   )(resid   36 and name SG   )  3.90 0.50 0.50
assign (resid   26 and name SG   )(resid   38 and name SG   )  3.90 0.50 0.50
assign (resid   26 and name SG   )(resid   36 and name SG   )  3.90 0.50 0.50
assign (resid   26 and name SG   )(resid   24 and name SG   )  3.90 0.50 0.50
assign (resid   20 and name CU   )(resid    9 and name CU   )  2.90 0.40 0.40
assign (resid    9 and name CU   )(resid   26 and name CU   )  2.90 0.40 0.40
assign (resid   26 and name CU   )(resid   38 and name CU   )  2.90 0.40 0.40
assign (resid   38 and name CU   )(resid   14 and name CU   )  2.90 0.40 0.40
assign (resid   14 and name CU   )(resid   30 and name CU   )  2.90 0.40 0.40
assign (resid   30 and name CU   )(resid   36 and name CU   )  2.90 0.40 0.40
assign (resid   36 and name CU   )(resid   14 and name CU   )  2.90 0.40 0.40
assign (resid   36 and name CU   )(resid   26 and name CU   )  2.90 0.40 0.40
scale     1b 1000.
!
class     1c
assign (resid   20 and name CU   )(resid   30 and name CU   )  1.9 0.0 18.0 
assign (resid   20 and name CU   )(resid   26 and name CU   )  1.9 0.0 18.0
assign (resid   20 and name CU   )(resid   14 and name CU   )  1.9 0.0 18.0
assign (resid   20 and name CU   )(resid   36 and name CU   )  1.9 0.0 18.0
assign (resid   20 and name CU   )(resid   38 and name CU   )  1.9 0.0 18.0
!assign (resid   20 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
assign (resid   30 and name CU   )(resid   26 and name CU   )  1.9 0.0 18.0
!assign (resid   30 and name CU   )(resid   14 and name CU   )  1.9 0.0 18.0
!assign (resid   30 and name CU   )(resid   36 and name CU   )  1.9 0.0 18.0
assign (resid   30 and name CU   )(resid   38 and name CU   )  1.9 0.0 18.0
assign (resid   30 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
assign (resid   26 and name CU   )(resid   14 and name CU   )  1.9 0.0 18.0
!assign (resid   26 and name CU   )(resid   36 and name CU   )  1.9 0.0 18.0
!assign (resid   26 and name CU   )(resid   38 and name CU   )  1.9 0.0 18.0
!assign (resid   26 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
!assign (resid   14 and name CU   )(resid   36 and name CU   )  1.9 0.0 18.0
!assign (resid   14 and name CU   )(resid   38 and name CU   )  1.9 0.0 18.0 
assign (resid   14 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
assign (resid   36 and name CU   )(resid   38 and name CU   )  1.9 0.0 18.0
assign (resid   36 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
assign (resid   38 and name CU   )(resid    9 and name CU   )  1.9 0.0 18.0
!
assign (resid    1 and name HA   )(resid    2 and name HN   )  1.8 0.0 1.8
assign (resid    2 and name HA   )(resid    3 and name HN   )  1.8 0.0 2.7
assign (resid    2 and name HD2# )(resid    2 and name HB#  )  1.8 0.0 4.7
assign (resid    3 and name HA   )(resid    4 and name HN   )  1.8 0.0 1.8
assign (resid    3 and name HN   )(resid    4 and name HN   )  1.8 0.0 2.7
assign (resid    3 and name HB#  )(resid    4 and name HN   )  1.8 0.0 3.7
assign (resid    3 and name HN   )(resid    3 and name HB#  )  1.8 0.0 3.7
assign (resid    4 and name HA#  )(resid    5 and name HN   )  1.8 0.0 3.7
assign (resid    5 and name HA   )(resid    6 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HN   )(resid    6 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HB#  )(resid    6 and name HN   )  1.8 0.0 3.7
assign (resid    5 and name HN   )(resid    7 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HN   )(resid    5 and name HB#  )  1.8 0.0 3.7
assign (resid    5 and name HD2  )(resid    5 and name HB#  )  1.8 0.0 4.7
assign (resid    5 and name HE1  )(resid   24 and name HB1  )  1.8 0.0 2.7
assign (resid    5 and name HE1  )(resid   26 and name HB2  )  1.8 0.0 2.7
assign (resid    5 and name HN   )(resid    5 and name HD2  )  1.8 0.0 2.7
assign (resid    5 and name HD2  )(resid    6 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HE1  )(resid   25 and name HA   )  1.8 0.0 2.7
assign (resid    5 and name HD2  )(resid   25 and name HA   )  1.8 0.0 2.7
assign (resid    5 and name HE1  )(resid   24 and name HB2  )  1.8 0.0 2.7
assign (resid    6 and name HN   )(resid    7 and name HN   )  1.8 0.0 2.7
assign (resid    6 and name HB#  )(resid    7 and name HN   )  1.8 0.0 3.7
assign (resid    6 and name HN   )(resid    6 and name HB#  )  1.8 0.0 2.4
assign (resid    7 and name HA   )(resid    8 and name HN   )  1.8 0.0 0.9
assign (resid    7 and name HN   )(resid    8 and name HN   )  1.8 0.0 2.7
assign (resid    7 and name HB#  )(resid    8 and name HN   )  1.8 0.0 3.7
assign (resid    7 and name HN   )(resid    9 and name HN   )  1.8 0.0 2.7
assign (resid    7 and name HN   )(resid    7 and name HB1  )  1.8 0.0 1.4
assign (resid    7 and name HN   )(resid    7 and name HB2  )  1.8 0.0 1.4 
assign (resid    7 and name HA   )(resid   24 and name HB2  )  1.8 0.0 2.7
assign (resid    7 and name HA   )(resid   24 and name HB1  )  1.8 0.0 2.7
assign (resid    7 and name HB1  )(resid   21 and name HA   )  1.8 0.0 1.4
assign (resid    7 and name HB2  )(resid   21 and name HA   )  1.8 0.0 1.4
assign (resid    7 and name HB1  )(resid   24 and name HB2  )  1.8 0.0 1.8
assign (resid    7 and name HB2  )(resid   24 and name HB1  )  1.8 0.0 2.7
assign (resid    8 and name HA   )(resid    9 and name HN   )  1.8 0.0 1.8
assign (resid    8 and name HN   )(resid    9 and name HN   )  1.8 0.0 1.4
assign (resid    8 and name HE2# )(resid    8 and name HG#  )  1.8 0.0 3.4
assign (resid    8 and name HN   )(resid    8 and name HB#  )  1.8 0.0 2.4
assign (resid    8 and name HN   )(resid    8 and name HG#  )  1.8 0.0 3.7
assign (resid    8 and name HE2# )(resid   21 and name HE2# )  1.8 0.0 4.7
assign (resid    9 and name HA   )(resid   10 and name HN   )  1.8 0.0 0.9
assign (resid    9 and name HN   )(resid   10 and name HN   )  1.8 0.0 2.7
assign (resid    9 and name HB1  )(resid   10 and name HN   )  1.8 0.0 1.4
assign (resid    9 and name HA   )(resid   11 and name HN   )  1.8 0.0 1.4
assign (resid    9 and name HB1  )(resid   14 and name HB1  )  1.8 0.0 2.7
assign (resid    9 and name HN   )(resid    9 and name HB1  )  1.8 0.0 1.4
assign (resid    9 and name HN   )(resid    9 and name HB2  )  1.8 0.0 0.9
assign (resid    9 and name HB1  )(resid   14 and name HA   )  1.8 0.0 2.7
assign (resid    9 and name HB1  )(resid   14 and name HB2  )  1.8 0.0 2.7
assign (resid    9 and name HB2  )(resid   14 and name HB2  )  1.8 0.0 1.4
assign (resid    9 and name HB2  )(resid   14 and name HB1  )  1.8 0.0 1.4
assign (resid   10 and name HA   )(resid   11 and name HN   )  1.8 0.0 1.4
assign (resid   10 and name HN   )(resid   11 and name HN   )  1.8 0.0 1.4
assign (resid   10 and name HB#  )(resid   11 and name HN   )  1.8 0.0 2.8
assign (resid   10 and name HN   )(resid   10 and name HB#  )  1.8 0.0 1.9
assign (resid   10 and name HN   )(resid   10 and name HG#  )  1.8 0.0 2.8
assign (resid   10 and name HE2# )(resid   10 and name HG#  )  1.8 0.0 3.8
assign (resid   11 and name HA   )(resid   12 and name HN   )  1.8 0.0 2.7
assign (resid   11 and name HN   )(resid   12 and name HN   )  1.8 0.0 2.7
assign (resid   11 and name HA   )(resid   13 and name HN   )  1.8 0.0 2.7
assign (resid   11 and name HN   )(resid   11 and name HB1  )  1.8 0.0 1.4
assign (resid   11 and name HN   )(resid   11 and name HB2  )  1.8 0.0 0.9
assign (resid   11 and name HB1  )(resid   33 and name HA   )  1.8 0.0 2.7
assign (resid   11 and name HB2  )(resid   33 and name HA   )  1.8 0.0 2.7
assign (resid   11 and name HN   )(resid   14 and name HB1  )  1.8 0.0 2.7
assign (resid   11 and name HN   )(resid   14 and name HB2  )  1.8 0.0 1.8
assign (resid   11 and name HB1  )(resid   12 and name HN   )  1.8 0.0 1.8
assign (resid   11 and name HB2  )(resid   12 and name HN   )  1.8 0.0 1.4
assign (resid   11 and name HB1  )(resid   13 and name HN   )  1.8 0.0 1.8
assign (resid   11 and name HB2  )(resid   13 and name HN   )  1.8 0.0 2.7
assign (resid   12 and name HA#  )(resid   13 and name HN   )  1.8 0.0 3.7
assign (resid   12 and name HN   )(resid   13 and name HN   )  1.8 0.0 1.4
assign (resid   12 and name HN   )(resid   14 and name HN   )  1.8 0.0 2.7
assign (resid   12 and name HN   )(resid   15 and name HN   )  1.8 0.0 2.7
assign (resid   13 and name HA   )(resid   14 and name HN   )  1.8 0.0 1.4
assign (resid   13 and name HB#  )(resid   14 and name HN   )  1.8 0.0 2.4
assign (resid   13 and name HN   )(resid   14 and name HN   )  1.8 0.0 1.4
assign (resid   13 and name HN   )(resid   15 and name HN   )  1.8 0.0 2.7
assign (resid   13 and name HN   )(resid   13 and name HB#  )  1.8 0.0 2.4
assign (resid   14 and name HA   )(resid   15 and name HN   )  1.8 0.0 1.4
assign (resid   14 and name HN   )(resid   15 and name HN   )  1.8 0.0 0.9
assign (resid   14 and name HN   )(resid   14 and name HB1  )  1.8 0.0 1.4
assign (resid   14 and name HN   )(resid   14 and name HB2  )  1.8 0.0 0.9
assign (resid   14 and name HB1  )(resid   15 and name HN   )  1.8 0.0 1.4
assign (resid   14 and name HB2  )(resid   15 and name HN   )  1.8 0.0 0.9
assign (resid   15 and name HA   )(resid   16 and name HN   )  1.8 0.0 2.7
assign (resid   15 and name HN   )(resid   15 and name HB#  )  1.8 0.0 1.9
assign (resid   15 and name HN   )(resid   15 and name HG#  )  1.8 0.0 1.9
assign (resid   16 and name HN   )(resid   16 and name HB#  )  1.8 0.0 2.4
assign (resid   16 and name HD2# )(resid   16 and name HB#  )  1.8 0.0 2.9
assign (resid   17 and name HA   )(resid   18 and name HN   )  1.8 0.0 0.9
assign (resid   17 and name HA   )(resid   19 and name HN   )  1.8 0.0 1.8
assign (resid   18 and name HA   )(resid   19 and name HN   )  1.8 0.0 1.4
assign (resid   18 and name HN   )(resid   19 and name HN   )  1.8 0.0 1.4
assign (resid   18 and name HB#  )(resid   19 and name HN   )  1.8 0.0 2.4
assign (resid   18 and name HA   )(resid   20 and name HN   )  1.8 0.0 1.8
assign (resid   18 and name HN   )(resid   20 and name HN   )  1.8 0.0 2.7
assign (resid   18 and name HA   )(resid   21 and name HN   )  1.8 0.0 1.8
assign (resid   18 and name HN   )(resid   18 and name HB#  )  1.8 0.0 1.9
assign (resid   18 and name HN   )(resid   18 and name HG#  )  1.8 0.0 3.7
assign (resid   19 and name HA   )(resid   20 and name HN   )  1.8 0.0 1.4
assign (resid   19 and name HN   )(resid   20 and name HN   )  1.8 0.0 1.4
assign (resid   19 and name HB#  )(resid   20 and name HN   )  1.8 0.0 2.4
assign (resid   19 and name HN   )(resid   21 and name HN   )  1.8 0.0 2.7
assign (resid   19 and name HN   )(resid   19 and name HB#  )  1.8 0.0 1.9
assign (resid   19 and name HE2# )(resid   19 and name HG#  )  1.8 0.0 3.4
assign (resid   20 and name HA   )(resid   21 and name HN   )  1.8 0.0 1.4
assign (resid   20 and name HN   )(resid   21 and name HN   )  1.8 0.0 1.4
assign (resid   20 and name HB#  )(resid   21 and name HN   )  1.8 0.0 3.7
assign (resid   20 and name HA   )(resid   23 and name HN   )  1.8 0.0 1.8
assign (resid   20 and name HB1  )(resid   24 and name HA   )  1.8 0.0 2.7
assign (resid   20 and name HB2  )(resid   24 and name HA   )  1.8 0.0 2.7
assign (resid   20 and name HB2  )(resid   24 and name HB2  )  1.8 0.0 2.7
assign (resid   20 and name HN   )(resid   20 and name HB1  )  1.8 0.0 1.4
assign (resid   20 and name HN   )(resid   20 and name HB2  )  1.8 0.0 1.8
assign (resid   20 and name HN   )(resid   21 and name HE2# )  1.8 0.0 3.7
assign (resid   21 and name HA   )(resid   22 and name HN   )  1.8 0.0 1.4
assign (resid   21 and name HN   )(resid   22 and name HN   )  1.8 0.0 1.4
assign (resid   21 and name HB#  )(resid   22 and name HN   )  1.8 0.0 2.8
assign (resid   21 and name HE2# )(resid   21 and name HB#  )  1.8 0.0 4.7
assign (resid   21 and name HN   )(resid   21 and name HB#  )  1.8 0.0 2.4
assign (resid   21 and name HN   )(resid   21 and name HG#  )  1.8 0.0 2.4
assign (resid   21 and name HN   )(resid   21 and name HE2# )  1.8 0.0 3.7
assign (resid   21 and name HE2# )(resid   21 and name HG#  )  1.8 0.0 3.4
assign (resid   22 and name HA   )(resid   23 and name HN   )  1.8 0.0 1.4
assign (resid   22 and name HN   )(resid   23 and name HN   )  1.8 0.0 1.4
assign (resid   22 and name HB#  )(resid   23 and name HN   )  1.8 0.0 2.8
assign (resid   22 and name HN   )(resid   22 and name HB#  )  1.8 0.0 2.4
assign (resid   22 and name HN   )(resid   22 and name HG#  )  1.8 0.0 2.4
assign (resid   23 and name HA   )(resid   24 and name HN   )  1.8 0.0 1.4
assign (resid   23 and name HN   )(resid   24 and name HN   )  1.8 0.0 1.8
assign (resid   23 and name HB#  )(resid   24 and name HN   )  1.8 0.0 3.7
assign (resid   23 and name HN   )(resid   23 and name HB#  )  1.8 0.0 2.4
!assign (resid   23 and name HB#  )(resid   40 and name HD2# )  1.8 0.0 3.4 ??
assign (resid   24 and name HA   )(resid   25 and name HN   )  1.8 0.0 1.4
assign (resid   24 and name HA   )(resid   26 and name HN   )  1.8 0.0 2.7
assign (resid   24 and name HN   )(resid   24 and name HB1  )  1.8 0.0 1.4
assign (resid   24 and name HN   )(resid   24 and name HB2  )  1.8 0.0 1.4
assign (resid   24 and name HB1  )(resid   25 and name HN   )  1.8 0.0 2.7
assign (resid   24 and name HB2  )(resid   25 and name HN   )  1.8 0.0 2.7
assign (resid   25 and name HA   )(resid   26 and name HN   )  1.8 0.0 1.8
assign (resid   25 and name HN   )(resid   26 and name HN   )  1.8 0.0 1.8
assign (resid   26 and name HB1  )(resid   30 and name HB1  )  1.8 0.0 1.8
assign (resid   26 and name HA   )(resid   30 and name HB2  )  1.8 0.0 2.7
assign (resid   26 and name HA   )(resid   37 and name HD#  )  1.8 0.0 3.7
assign (resid   26 and name HN   )(resid   26 and name HB2  )  1.8 0.0 0.9
assign (resid   26 and name HN   )(resid   26 and name HB1  )  1.8 0.0 1.8
assign (resid   26 and name HB1  )(resid   27 and name HD#  )  1.8 0.0 3.7
assign (resid   27 and name HA   )(resid   28 and name HN   )  1.8 0.0 0.9
assign (resid   27 and name HD#  )(resid   30 and name HA   )  1.8 0.0 3.7
assign (resid   27 and name HD#  )(resid   30 and name HB1  )  1.8 0.0 3.7
assign (resid   27 and name HD#  )(resid   30 and name HB2  )  1.8 0.0 3.7
assign (resid   28 and name HA   )(resid   29 and name HN   )  1.8 0.0 0.9
assign (resid   28 and name HN   )(resid   29 and name HN   )  1.8 0.0 2.7
assign (resid   28 and name HA   )(resid   30 and name HN   )  1.8 0.0 1.4
assign (resid   28 and name HN   )(resid   28 and name HB   )  1.8 0.0 1.4
assign (resid   28 and name HN   )(resid   28 and name HG2# )  1.8 0.0 2.9
assign (resid   28 and name HG2# )(resid   29 and name HN   )  1.8 0.0 2.9
assign (resid   29 and name HA#  )(resid   30 and name HN   )  1.8 0.0 2.4
assign (resid   29 and name HN   )(resid   30 and name HN   )  1.8 0.0 1.4
assign (resid   30 and name HA   )(resid   31 and name HN   )  1.8 0.0 0.9
assign (resid   30 and name HN   )(resid   31 and name HN   )  1.8 0.0 2.7
assign (resid   30 and name HA   )(resid   32 and name HN   )  1.8 0.0 1.4
assign (resid   30 and name HN   )(resid   30 and name HB1  )  1.8 0.0 0.9
assign (resid   30 and name HN   )(resid   30 and name HB2  )  1.8 0.0 0.9
assign (resid   30 and name HB2  )(resid   31 and name HN   )  1.8 0.0 2.7
assign (resid   31 and name HN   )(resid   32 and name HN   )  1.8 0.0 0.9
assign (resid   31 and name HB#  )(resid   32 and name HN   )  1.8 0.0 2.8
assign (resid   31 and name HN   )(resid   31 and name HB#  )  1.8 0.0 2.4
assign (resid   31 and name HD2# )(resid   31 and name HB#  )  1.8 0.0 2.9
assign (resid   32 and name HA   )(resid   33 and name HN   )  1.8 0.0 1.4
assign (resid   32 and name HN   )(resid   32 and name HB#  )  1.8 0.0 2.4
assign (resid   33 and name HA   )(resid   34 and name HN   )  1.8 0.0 1.4
assign (resid   33 and name HB#  )(resid   34 and name HN   )  1.8 0.0 2.4
assign (resid   33 and name HN   )(resid   33 and name HB#  )  1.8 0.0 2.8
assign (resid   33 and name HA   )(resid   36 and name HB1  )  1.8 0.0 2.7
assign (resid   33 and name HA   )(resid   36 and name HB2  )  1.8 0.0 2.7
assign (resid   34 and name HA   )(resid   35 and name HN   )  1.8 0.0 0.9
assign (resid   34 and name HN   )(resid   35 and name HN   )  1.8 0.0 1.8
assign (resid   34 and name HB#  )(resid   35 and name HN   )  1.8 0.0 3.7
assign (resid   34 and name HA   )(resid   36 and name HN   )  1.8 0.0 1.8
assign (resid   34 and name HN   )(resid   36 and name HN   )  1.8 0.0 2.7
assign (resid   34 and name HN   )(resid   34 and name HB#  )  1.8 0.0 2.4
assign (resid   35 and name HA   )(resid   36 and name HN   )  1.8 0.0 0.9
assign (resid   35 and name HN   )(resid   36 and name HN   )  1.8 0.0 0.9
assign (resid   35 and name HB#  )(resid   36 and name HN   )  1.8 0.0 2.8
assign (resid   35 and name HN   )(resid   35 and name HB#  )  1.8 0.0 2.4
assign (resid   35 and name HN   )(resid   35 and name HG#  )  1.8 0.0 2.8
assign (resid   36 and name HN   )(resid   36 and name HB1  )  1.8 0.0 0.9
assign (resid   36 and name HN   )(resid   36 and name HB2  )  1.8 0.0 0.9
assign (resid   36 and name HA   )(resid   37 and name HG#  )  1.8 0.0 3.7
assign (resid   37 and name HA   )(resid   38 and name HN   )  1.8 0.0 2.7
assign (resid   37 and name HD#  )(resid   38 and name HN   )  1.8 0.0 2.4
assign (resid   38 and name HA   )(resid   39 and name HN   )  1.8 0.0 0.9
assign (resid   38 and name HN   )(resid   39 and name HN   )  1.8 0.0 2.7
assign (resid   38 and name HB2  )(resid   39 and name HN   )  1.8 0.0 1.8
assign (resid   38 and name HN   )(resid   38 and name HB1  )  1.8 0.0 0.9
assign (resid   38 and name HN   )(resid   38 and name HB2  )  1.8 0.0 0.9
assign (resid   39 and name HA#  )(resid   40 and name HN   )  1.8 0.0 2.4
assign (resid   39 and name HN   )(resid   40 and name HN   )  1.8 0.0 1.4
assign (resid   40 and name HN   )(resid   40 and name HD2# )  1.8 0.0 3.7
assign (resid   40 and name HN   )(resid   40 and name HB#  )  1.8 0.0 2.4
assign (resid   40 and name HD2# )(resid   40 and name HB#  )  1.8 0.0 3.4
!assign (resid   41 and name HA   )(resid   42 and name HN   )  1.8 0.0 2.7
!assign (resid   41 and name HN   )(resid   42 and name HN   )  1.8 0.0 2.7
!assign (resid   42 and name HA   )(resid   43 and name HN   )  1.8 0.0 0.9
!assign (resid   42 and name HN   )(resid   43 and name HN   )  1.8 0.0 2.7
!assign (resid   42 and name HB#  )(resid   43 and name HN   )  1.8 0.0 2.4
!assign (resid   42 and name HA   )(resid   44 and name HN   )  1.8 0.0 2.7
!assign (resid   45 and name HB   )(resid   46 and name HN   )  1.8 0.0 2.7
!assign (resid   46 and name HA   )(resid   47 and name HN   )  1.8 0.0 2.7
scale      1c 100.
set messaage=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLN   1          2H        GLN   1  13.472   6.494  -9.627
    2   2H    GLN   1          1H        GLN   1  13.299   7.949 -10.487
    3   3H    GLN   1          3H        GLN   1  14.845   7.308 -10.208
    4    HA   GLN   1           HA       GLN   1  14.817   7.855  -7.946
    5   1HB   GLN   1          2HB       GLN   1  14.331  10.259  -8.077
    6   2HB   GLN   1          1HB       GLN   1  15.059   9.716  -9.589
    7   1HG   GLN   1          2HG       GLN   1  13.135  10.032 -10.787
    8   2HG   GLN   1          1HG       GLN   1  12.099   9.553  -9.442
    9   1HE2  GLN   1          2HE2      GLN   1  11.359  13.069  -9.433
   10   2HE2  GLN   1          1HE2      GLN   1  10.826  11.574 -10.036
   11    H    ASN   2           H        ASN   2  11.658   7.517  -9.359
   12    HA   ASN   2           HA       ASN   2  10.429   7.753  -6.630
   13   1HB   ASN   2          2HB       ASN   2   9.807   9.531  -8.259
   14   2HB   ASN   2          1HB       ASN   2   9.225   8.286  -9.366
   15   1HD2  ASN   2          2HD2      ASN   2   6.292   7.570  -7.426
   16   2HD2  ASN   2          1HD2      ASN   2   7.378   6.903  -8.548
   17    H    GLU   3           H        GLU   3   9.927   5.715  -5.923
   18    HA   GLU   3           HA       GLU   3   8.622   3.837  -7.845
   19   1HB   GLU   3          2HB       GLU   3  11.277   3.694  -7.048
   20   2HB   GLU   3          1HB       GLU   3  10.470   2.575  -5.948
   21   1HG   GLU   3          2HG       GLU   3   9.372   1.507  -7.935
   22   2HG   GLU   3          1HG       GLU   3  10.349   2.543  -8.976
   23    H    GLY   4           H        GLY   4   9.762   3.716  -4.453
   24   1HA   GLY   4          2HA       GLY   4   7.025   2.825  -3.669
   25   2HA   GLY   4          1HA       GLY   4   8.497   2.522  -2.743
   26    H    HIS   5           H        HIS   5   6.367   3.623  -1.386
   27    HA   HIS   5           HA       HIS   5   7.453   6.324  -0.770
   28   1HB   HIS   5          2HB       HIS   5   4.800   6.846  -0.587
   29   2HB   HIS   5          1HB       HIS   5   5.732   7.152  -2.048
   30    HD1  HIS   5           HD1      HIS   5   2.873   5.237  -0.786
   31    HD2  HIS   5           HD2      HIS   5   5.495   4.930  -4.013
   32    HE1  HIS   5           HE1      HIS   5   1.784   3.679  -2.462
   33    H    GLU   6           H        GLU   6   4.346   5.167   0.339
   34    HA   GLU   6           HA       GLU   6   5.439   3.958   2.783
   35   1HB   GLU   6          2HB       GLU   6   4.767   6.780   2.537
   36   2HB   GLU   6          1HB       GLU   6   3.802   6.000   3.791
   37   1HG   GLU   6          2HG       GLU   6   5.984   4.987   4.651
   38   2HG   GLU   6          1HG       GLU   6   6.816   6.106   3.571
   39    H    CYS   7           HN       CNP   7   4.044   2.168   2.273
   40    HA   CYS   7           HA       CNP   7   1.243   2.558   1.759
   41   1HB   CYS   7          2HB       CNP   7   1.992   0.703   0.731
   42   2HB   CYS   7          1HB       CNP   7   3.226   0.351   1.876
   43    H    GLN   8           H        GLN   8   0.561   3.699   3.639
   44    HA   GLN   8           HA       GLN   8   0.840   2.365   6.259
   45   1HB   GLN   8          2HB       GLN   8  -0.236   4.926   5.126
   46   2HB   GLN   8          1HB       GLN   8  -0.949   4.353   6.635
   47   1HG   GLN   8          2HG       GLN   8   2.016   4.777   6.150
   48   2HG   GLN   8          1HG       GLN   8   0.966   5.861   7.063
   49   1HE2  GLN   8          2HE2      GLN   8   2.231   2.363   8.766
   50   2HE2  GLN   8          1HE2      GLN   8   2.503   2.655   7.116
   51    H    CYS   9           HN       CCU   9  -0.532   1.380   3.619
   52    HA   CYS   9           HA       CCU   9  -3.299   1.290   3.774
   53   1HB   CYS   9          2HB       CCU   9  -1.271  -0.816   3.017
   54   2HB   CYS   9          1HB       CCU   9  -2.952  -0.797   2.560
   55    H    GLN  10           H        GLN  10  -4.699   0.435   5.058
   56    HA   GLN  10           HA       GLN  10  -3.836  -1.523   7.154
   57   1HB   GLN  10          2HB       GLN  10  -4.728   0.885   7.682
   58   2HB   GLN  10          1HB       GLN  10  -6.300   0.230   7.223
   59   1HG   GLN  10          2HG       GLN  10  -5.431  -1.733   8.886
   60   2HG   GLN  10          1HG       GLN  10  -4.643  -0.333   9.616
   61   1HE2  GLN  10          2HE2      GLN  10  -8.347  -0.852  10.673
   62   2HE2  GLN  10          1HE2      GLN  10  -7.176  -2.036  10.349
   63    H    CYS  11           HN       CNP  11  -4.947  -1.583   4.209
   64    HA   CYS  11           HA       CNP  11  -7.530  -2.636   4.085
   65   1HB   CYS  11          2HB       CNP  11  -5.011  -3.351   2.562
   66   2HB   CYS  11          1HB       CNP  11  -6.648  -3.547   1.994
   67    H    GLY  12           H        GLY  12  -6.938  -5.212   2.860
   68   1HA   GLY  12          2HA       GLY  12  -6.496  -6.829   5.332
   69   2HA   GLY  12          1HA       GLY  12  -7.521  -7.337   3.985
   70    H    SER  13           H        SER  13  -5.394  -6.121   2.148
   71    HA   SER  13           HA       SER  13  -3.602  -8.510   2.169
   72   1HB   SER  13          2HB       SER  13  -4.884  -8.355   0.158
   73   2HB   SER  13          1HB       SER  13  -4.625  -6.616   0.047
   74    HG   SER  13           HG       SER  13  -3.054  -8.699  -0.782
   75    H    CYS  14           HN       CCU  14  -3.594  -5.402   3.185
   76    HA   CYS  14           HA       CCU  14  -0.831  -4.801   2.356
   77   1HB   CYS  14          2HB       CCU  14  -3.269  -3.358   3.222
   78   2HB   CYS  14          1HB       CCU  14  -1.727  -2.635   3.602
   79    H    LYS  15           H        LYS  15  -2.928  -5.290   5.012
   80    HA   LYS  15           HA       LYS  15  -1.048  -4.691   7.143
   81   1HB   LYS  15          2HB       LYS  15  -3.779  -5.827   6.798
   82   2HB   LYS  15          1HB       LYS  15  -2.947  -6.227   8.301
   83   1HG   LYS  15          2HG       LYS  15  -2.465  -3.487   7.899
   84   2HG   LYS  15          1HG       LYS  15  -4.168  -3.722   7.506
   85   1HD   LYS  15          2HD       LYS  15  -4.440  -3.533   9.766
   86   2HD   LYS  15          1HD       LYS  15  -3.982  -5.236   9.752
   87   1HE   LYS  15          2HE       LYS  15  -1.574  -3.685   9.696
   88   2HE   LYS  15          1HE       LYS  15  -2.600  -3.080  11.013
   89   1HZ   LYS  15          3HZ       LYS  15  -2.217  -5.974  10.519
   90   2HZ   LYS  15          2HZ       LYS  15  -1.175  -5.096  11.533
   91   3HZ   LYS  15          1HZ       LYS  15  -2.828  -5.219  11.910
   92    H    ASN  16           H        ASN  16  -1.862  -7.586   5.301
   93    HA   ASN  16           HA       ASN  16  -0.269  -9.302   7.131
   94   1HB   ASN  16          2HB       ASN  16  -2.007  -9.768   4.693
   95   2HB   ASN  16          1HB       ASN  16  -1.134 -11.066   5.511
   96   1HD2  ASN  16          2HD2      ASN  16  -3.988 -11.420   7.574
   97   2HD2  ASN  16          1HD2      ASN  16  -2.984 -12.142   6.412
   98    H    ASN  17           H        ASN  17   0.106  -7.510   4.214
   99    HA   ASN  17           HA       ASN  17   2.503  -9.121   3.426
  100   1HB   ASN  17          2HB       ASN  17   0.474  -7.408   2.071
  101   2HB   ASN  17          1HB       ASN  17   2.107  -7.377   1.403
  102   1HD2  ASN  17          2HD2      ASN  17  -0.223 -10.645   0.846
  103   2HD2  ASN  17          1HD2      ASN  17  -0.793  -9.281   1.681
  104    H    GLU  18           H        GLU  18   4.062  -8.232   4.874
  105    HA   GLU  18           HA       GLU  18   4.337  -5.310   5.113
  106   1HB   GLU  18          2HB       GLU  18   5.995  -5.900   6.769
  107   2HB   GLU  18          1HB       GLU  18   4.634  -7.008   6.963
  108   1HG   GLU  18          2HG       GLU  18   6.030  -8.457   5.218
  109   2HG   GLU  18          1HG       GLU  18   7.375  -7.539   5.896
  110    H    GLN  19           H        GLN  19   5.136  -7.364   2.728
  111    HA   GLN  19           HA       GLN  19   7.899  -6.441   2.266
  112   1HB   GLN  19          2HB       GLN  19   6.076  -8.536   1.332
  113   2HB   GLN  19          1HB       GLN  19   7.016  -7.819   0.022
  114   1HG   GLN  19          2HG       GLN  19   9.000  -8.630   0.819
  115   2HG   GLN  19          1HG       GLN  19   8.520  -8.434   2.505
  116   1HE2  GLN  19          2HE2      GLN  19   7.809 -11.973   0.600
  117   2HE2  GLN  19          1HE2      GLN  19   8.387 -10.633  -0.267
  118    H    CYS  20           HN       CCU  20   4.929  -5.107   1.820
  119    HA   CYS  20           HA       CCU  20   5.855  -3.513  -0.519
  120   1HB   CYS  20          2HB       CCU  20   3.576  -3.609  -1.320
  121   2HB   CYS  20          1HB       CCU  20   4.099  -5.252  -1.000
  122    H    GLN  21           H        GLN  21   5.391  -3.363   2.673
  123    HA   GLN  21           HA       GLN  21   3.639  -1.045   2.918
  124   1HB   GLN  21          2HB       GLN  21   4.155  -1.256   5.247
  125   2HB   GLN  21          1HB       GLN  21   4.132  -2.903   4.618
  126   1HG   GLN  21          2HG       GLN  21   6.683  -2.521   4.208
  127   2HG   GLN  21          1HG       GLN  21   6.501  -1.207   5.371
  128   1HE2  GLN  21          2HE2      GLN  21   5.077  -4.077   7.586
  129   2HE2  GLN  21          1HE2      GLN  21   4.211  -2.994   6.610
  130    H    LYS  22           H        LYS  22   6.603  -1.337   1.590
  131    HA   LYS  22           HA       LYS  22   7.392   1.440   2.360
  132   1HB   LYS  22          2HB       LYS  22   8.777  -1.114   2.637
  133   2HB   LYS  22          1HB       LYS  22   9.726   0.045   1.706
  134   1HG   LYS  22          2HG       LYS  22   8.603   1.472   3.888
  135   2HG   LYS  22          1HG       LYS  22   9.270  -0.024   4.543
  136   1HD   LYS  22          2HD       LYS  22  11.352   0.797   4.341
  137   2HD   LYS  22          1HD       LYS  22  11.111   1.006   2.606
  138   1HE   LYS  22          2HE       LYS  22   9.963   3.196   3.086
  139   2HE   LYS  22          1HE       LYS  22  10.422   3.003   4.789
  140   1HZ   LYS  22          3HZ       LYS  22  12.713   2.419   3.472
  141   2HZ   LYS  22          2HZ       LYS  22  12.066   3.667   2.515
  142   3HZ   LYS  22          1HZ       LYS  22  12.353   3.923   4.169
  143    H    SER  23           H        SER  23   6.316  -0.484  -0.050
  144    HA   SER  23           HA       SER  23   7.249   1.344  -2.147
  145   1HB   SER  23          2HB       SER  23   8.565  -1.162  -1.540
  146   2HB   SER  23          1HB       SER  23   7.887  -1.211  -3.166
  147    HG   SER  23           HG       SER  23   9.997   0.205  -2.188
  148    H    CYS  24           HN       CNP  24   4.647   0.755  -1.172
  149    HA   CYS  24           HA       CNP  24   3.358  -1.216  -2.870
  150   1HB   CYS  24          2HB       CNP  24   1.685  -0.790  -1.332
  151   2HB   CYS  24          1HB       CNP  24   2.999  -0.092  -0.463
  152    H    SER  25           H        SER  25   1.423  -0.316  -4.305
  153    HA   SER  25           HA       SER  25   2.526   2.016  -5.836
  154   1HB   SER  25          2HB       SER  25   0.753  -0.310  -6.650
  155   2HB   SER  25          1HB       SER  25   1.321   0.954  -7.739
  156    HG   SER  25           HG       SER  25   3.174  -0.434  -6.157
  157    H    CYS  26           HN       CCU  26   0.835   2.496  -3.552
  158    HA   CYS  26           HA       CCU  26  -1.706   3.382  -4.865
  159   1HB   CYS  26          2HB       CCU  26  -1.090   2.907  -1.937
  160   2HB   CYS  26          1HB       CCU  26  -2.674   3.126  -2.669
  161    HA   PRO  27           HA       PRO  27  -0.448   7.515  -3.959
  162   1HB   PRO  27          2HB       PRO  27  -2.892   8.727  -4.061
  163   2HB   PRO  27          1HB       PRO  27  -2.049   8.147  -5.510
  164   1HG   PRO  27          2HG       PRO  27  -4.344   6.973  -4.064
  165   2HG   PRO  27          1HG       PRO  27  -3.938   6.911  -5.783
  166   1HD   PRO  27          2HD       PRO  27  -3.533   4.862  -3.938
  167   2HD   PRO  27          1HD       PRO  27  -2.780   4.982  -5.541
  168    H    THR  28           H        THR  28  -1.755   9.420  -2.487
  169    HA   THR  28           HA       THR  28  -1.620   8.281   0.235
  170    HB   THR  28           HB       THR  28  -0.560  10.474  -0.605
  171    HG1  THR  28           HG1      THR  28  -2.320  10.834   1.573
  172   1HG2  THR  28          2HG2      THR  28  -2.966  11.016  -1.638
  173   2HG2  THR  28          1HG2      THR  28  -3.191  11.770  -0.061
  174   3HG2  THR  28          3HG2      THR  28  -1.875  12.297  -1.110
  175    H    GLY  29           H        GLY  29  -3.756   7.289  -1.146
  176   1HA   GLY  29          2HA       GLY  29  -6.019   8.365   0.439
  177   2HA   GLY  29          1HA       GLY  29  -6.247   8.113  -1.298
  178    H    CYS  30           HN       CCU  30  -4.012   5.999   0.188
  179    HA   CYS  30           HA       CCU  30  -5.942   3.745  -0.123
  180   1HB   CYS  30          2HB       CCU  30  -3.535   4.069  -1.140
  181   2HB   CYS  30          1HB       CCU  30  -3.005   3.496   0.439
  182    H    ASN  31           H        ASN  31  -6.506   5.177   2.125
  183    HA   ASN  31           HA       ASN  31  -5.172   3.764   4.398
  184   1HB   ASN  31          2HB       ASN  31  -6.307   5.616   5.701
  185   2HB   ASN  31          1HB       ASN  31  -5.143   6.183   4.502
  186   1HD2  ASN  31          2HD2      ASN  31  -7.656   8.272   3.182
  187   2HD2  ASN  31          1HD2      ASN  31  -6.082   8.143   3.803
  188    H    SER  32           H        SER  32  -7.566   2.960   2.476
  189    HA   SER  32           HA       SER  32  -9.170   1.739   4.652
  190   1HB   SER  32          2HB       SER  32  -9.902   4.102   3.227
  191   2HB   SER  32          1HB       SER  32 -10.972   2.809   2.696
  192    HG   SER  32           HG       SER  32 -11.497   4.078   4.705
  193    H    ASP  33           H        ASP  33 -10.103  -0.223   3.991
  194    HA   ASP  33           HA       ASP  33  -9.031  -1.559   1.699
  195   1HB   ASP  33          2HB       ASP  33 -10.564  -3.331   2.396
  196   2HB   ASP  33          1HB       ASP  33  -9.866  -2.575   3.828
  197    H    ASP  34           H        ASP  34  -9.526  -0.720  -0.330
  198    HA   ASP  34           HA       ASP  34 -12.335  -0.720  -1.172
  199   1HB   ASP  34          2HB       ASP  34 -12.049   1.527  -2.126
  200   2HB   ASP  34          1HB       ASP  34 -11.821   1.542  -0.380
  201    H    LYS  35           H        LYS  35 -10.973   0.778  -3.421
  202    HA   LYS  35           HA       LYS  35 -10.408  -1.613  -5.011
  203   1HB   LYS  35          2HB       LYS  35 -10.864   1.313  -5.485
  204   2HB   LYS  35          1HB       LYS  35  -9.963   0.420  -6.711
  205   1HG   LYS  35          2HG       LYS  35 -11.880  -1.300  -6.614
  206   2HG   LYS  35          1HG       LYS  35 -12.785  -0.055  -5.751
  207   1HD   LYS  35          2HD       LYS  35 -13.066   1.215  -7.618
  208   2HD   LYS  35          1HD       LYS  35 -11.436   0.884  -8.205
  209   1HE   LYS  35          2HE       LYS  35 -12.725  -0.273  -9.784
  210   2HE   LYS  35          1HE       LYS  35 -12.431  -1.556  -8.595
  211   1HZ   LYS  35          2HZ       LYS  35 -14.573  -0.071  -7.645
  212   2HZ   LYS  35          1HZ       LYS  35 -14.886  -0.331  -9.294
  213   3HZ   LYS  35          3HZ       LYS  35 -14.614  -1.651  -8.267
  214    H    CYS  36           HN       CCU  36  -8.806  -0.868  -2.778
  215    HA   CYS  36           HA       CCU  36  -6.386   0.457  -3.231
  216   1HB   CYS  36          2HB       CCU  36  -6.815  -0.390  -1.079
  217   2HB   CYS  36          1HB       CCU  36  -7.226  -1.990  -1.687
  218    HA   PRO  37           HA       PRO  37  -4.910  -2.313  -6.478
  219   1HB   PRO  37          2HB       PRO  37  -3.688  -0.350  -7.932
  220   2HB   PRO  37          1HB       PRO  37  -5.427  -0.680  -8.041
  221   1HG   PRO  37          2HG       PRO  37  -4.034   1.576  -6.804
  222   2HG   PRO  37          1HG       PRO  37  -5.713   1.442  -7.337
  223   1HD   PRO  37          2HD       PRO  37  -4.680   1.237  -4.670
  224   2HD   PRO  37          1HD       PRO  37  -6.369   1.115  -5.205
  225    H    CYS  38           HN       CCU  38  -3.582  -2.462  -4.107
  226    HA   CYS  38           HA       CCU  38  -0.984  -1.255  -3.991
  227   1HB   CYS  38          2HB       CCU  38  -2.568  -2.553  -2.307
  228   2HB   CYS  38          1HB       CCU  38  -1.618  -3.933  -2.827
  229    H    GLY  39           H        GLY  39   0.761  -3.331  -3.621
  230   1HA   GLY  39          2HA       GLY  39   1.744  -3.884  -6.204
  231   2HA   GLY  39          1HA       GLY  39   2.198  -4.796  -4.764
  232    H    ASN  40           HN       ASN  40   0.317  -6.346  -4.018
  233    HA   ASN  40           HA       ASN  40  -1.241  -7.453  -6.278
  234   1HB   ASN  40          2HB       ASN  40   1.360  -8.295  -5.765
  235   2HB   ASN  40          1HB       ASN  40   0.372  -9.507  -4.950
  236   1HD2  ASN  40          2HD2      ASN  40   0.001  -9.106  -9.033
  237   2HD2  ASN  40          1HD2      ASN  40   0.531  -7.778  -8.118
   
  Start of MODEL    2
    1   1H    GLN   1          1H        GLN   1  12.679   7.508 -10.837
    2   2H    GLN   1          3H        GLN   1  13.205   7.013 -12.371
    3   3H    GLN   1          2H        GLN   1  12.244   8.405 -12.212
    4    HA   GLN   1           HA       GLN   1  10.639   6.926 -12.869
    5   1HB   GLN   1          2HB       GLN   1  10.860   4.526 -12.334
    6   2HB   GLN   1          1HB       GLN   1  12.361   5.143 -13.027
    7   1HG   GLN   1          2HG       GLN   1  12.174   5.382 -10.090
    8   2HG   GLN   1          1HG       GLN   1  12.222   3.724 -10.693
    9   1HE2  GLN   1          2HE2      GLN   1  15.600   5.910 -10.702
   10   2HE2  GLN   1          1HE2      GLN   1  14.176   6.431  -9.941
   11    H    ASN   2           H        ASN   2   8.844   5.707 -11.588
   12    HA   ASN   2           HA       ASN   2   8.771   6.668  -8.746
   13   1HB   ASN   2          2HB       ASN   2   7.440   7.823 -10.800
   14   2HB   ASN   2          1HB       ASN   2   6.270   6.580 -10.357
   15   1HD2  ASN   2          2HD2      ASN   2   6.130   7.954  -6.896
   16   2HD2  ASN   2          1HD2      ASN   2   6.510   6.452  -7.589
   17    H    GLU   3           H        GLU   3   8.985   4.652  -7.734
   18    HA   GLU   3           HA       GLU   3   7.361   2.364  -8.712
   19   1HB   GLU   3          2HB       GLU   3   9.775   2.849  -7.065
   20   2HB   GLU   3          1HB       GLU   3   8.773   1.492  -6.544
   21   1HG   GLU   3          2HG       GLU   3   9.273   0.252  -8.386
   22   2HG   GLU   3          1HG       GLU   3   9.212   1.650  -9.460
   23    H    GLY   4           H        GLY   4   8.133   2.778  -5.323
   24   1HA   GLY   4          2HA       GLY   4   5.244   3.275  -4.747
   25   2HA   GLY   4          1HA       GLY   4   6.125   2.004  -3.907
   26    H    HIS   5           H        HIS   5   5.652   3.133  -1.874
   27    HA   HIS   5           HA       HIS   5   7.759   5.073  -1.215
   28   1HB   HIS   5          2HB       HIS   5   5.730   6.594  -0.335
   29   2HB   HIS   5          1HB       HIS   5   6.359   6.748  -1.972
   30    HD1  HIS   5           HD1      HIS   5   3.934   4.162  -0.515
   31    HD2  HIS   5           HD2      HIS   5   4.136   6.983  -3.563
   32    HE1  HIS   5           HE1      HIS   5   1.789   3.944  -1.841
   33    H    GLU   6           H        GLU   6   4.833   5.287   0.609
   34    HA   GLU   6           HA       GLU   6   5.890   3.275   2.568
   35   1HB   GLU   6          2HB       GLU   6   5.177   4.950   4.319
   36   2HB   GLU   6          1HB       GLU   6   6.502   5.506   3.296
   37   1HG   GLU   6          2HG       GLU   6   4.030   6.199   2.025
   38   2HG   GLU   6          1HG       GLU   6   3.968   6.744   3.701
   39    H    CYS   7           HN       CNP   7   4.275   1.697   2.234
   40    HA   CYS   7           HA       CNP   7   1.514   2.333   1.875
   41   1HB   CYS   7          2HB       CNP   7   2.068   0.341   0.892
   42   2HB   CYS   7          1HB       CNP   7   3.302  -0.042   2.004
   43    H    GLN   8           H        GLN   8   0.937   3.552   3.706
   44    HA   GLN   8           HA       GLN   8   1.234   2.317   6.380
   45   1HB   GLN   8          2HB       GLN   8   0.966   4.925   5.310
   46   2HB   GLN   8          1HB       GLN   8  -0.560   4.607   6.136
   47   1HG   GLN   8          2HG       GLN   8   0.676   5.392   7.922
   48   2HG   GLN   8          1HG       GLN   8   1.077   3.678   8.026
   49   1HE2  GLN   8          2HE2      GLN   8   4.477   4.155   7.194
   50   2HE2  GLN   8          1HE2      GLN   8   3.251   3.047   7.575
   51    H    CYS   9           HN       CCU   9  -0.290   1.307   3.867
   52    HA   CYS   9           HA       CCU   9  -3.067   1.484   4.123
   53   1HB   CYS   9          2HB       CCU   9  -1.220  -0.746   3.290
   54   2HB   CYS   9          1HB       CCU   9  -2.917  -0.662   2.927
   55    H    GLN  10           H        GLN  10  -4.489   0.712   5.450
   56    HA   GLN  10           HA       GLN  10  -3.683  -1.284   7.532
   57   1HB   GLN  10          2HB       GLN  10  -4.595   1.191   7.953
   58   2HB   GLN  10          1HB       GLN  10  -6.156   0.422   7.658
   59   1HG   GLN  10          2HG       GLN  10  -5.269  -1.380   9.356
   60   2HG   GLN  10          1HG       GLN  10  -4.187  -0.084   9.868
   61   1HE2  GLN  10          2HE2      GLN  10  -6.701   1.555  11.699
   62   2HE2  GLN  10          1HE2      GLN  10  -5.046   1.353  11.382
   63    H    CYS  11           HN       CNP  11  -4.861  -1.286   4.574
   64    HA   CYS  11           HA       CNP  11  -7.457  -2.320   4.524
   65   1HB   CYS  11          2HB       CNP  11  -5.031  -3.068   2.874
   66   2HB   CYS  11          1HB       CNP  11  -6.699  -3.168   2.382
   67    H    GLY  12           H        GLY  12  -7.047  -4.867   3.274
   68   1HA   GLY  12          2HA       GLY  12  -6.446  -6.540   5.671
   69   2HA   GLY  12          1HA       GLY  12  -7.583  -6.996   4.400
   70    H    SER  13           H        SER  13  -5.651  -5.869   2.365
   71    HA   SER  13           HA       SER  13  -3.934  -8.297   2.197
   72   1HB   SER  13          2HB       SER  13  -5.054  -8.125   0.181
   73   2HB   SER  13          1HB       SER  13  -5.233  -6.379   0.322
   74    HG   SER  13           HG       SER  13  -3.737  -6.840  -1.285
   75    H    CYS  14           HN       CCU  14  -3.712  -5.251   3.370
   76    HA   CYS  14           HA       CCU  14  -0.967  -4.746   2.434
   77   1HB   CYS  14          2HB       CCU  14  -3.283  -3.234   3.476
   78   2HB   CYS  14          1HB       CCU  14  -1.694  -2.612   3.846
   79    H    LYS  15           H        LYS  15  -2.937  -5.292   5.179
   80    HA   LYS  15           HA       LYS  15  -0.980  -4.868   7.253
   81   1HB   LYS  15          2HB       LYS  15  -2.639  -5.957   8.651
   82   2HB   LYS  15          1HB       LYS  15  -3.499  -4.977   7.464
   83   1HG   LYS  15          2HG       LYS  15  -3.746  -7.016   6.032
   84   2HG   LYS  15          1HG       LYS  15  -3.012  -7.966   7.325
   85   1HD   LYS  15          2HD       LYS  15  -5.592  -6.382   7.478
   86   2HD   LYS  15          1HD       LYS  15  -5.423  -8.136   7.537
   87   1HE   LYS  15          2HE       LYS  15  -4.206  -7.992   9.657
   88   2HE   LYS  15          1HE       LYS  15  -4.253  -6.219   9.587
   89   1HZ   LYS  15          3HZ       LYS  15  -6.789  -7.586   9.206
   90   2HZ   LYS  15          2HZ       LYS  15  -6.142  -7.667  10.775
   91   3HZ   LYS  15          1HZ       LYS  15  -6.447  -6.159  10.056
   92    H    ASN  16           H        ASN  16  -1.924  -7.711   5.341
   93    HA   ASN  16           HA       ASN  16  -0.083  -9.488   6.803
   94   1HB   ASN  16          2HB       ASN  16  -1.936  -9.719   4.420
   95   2HB   ASN  16          1HB       ASN  16  -0.899 -11.053   4.926
   96   1HD2  ASN  16          2HD2      ASN  16  -4.323 -10.394   6.914
   97   2HD2  ASN  16          1HD2      ASN  16  -3.945  -9.626   5.448
   98    H    ASN  17           H        ASN  17  -0.390  -8.585   3.339
   99    HA   ASN  17           HA       ASN  17   2.239  -9.437   2.603
  100   1HB   ASN  17          2HB       ASN  17  -0.072  -8.123   1.479
  101   2HB   ASN  17          1HB       ASN  17   1.389  -7.286   0.951
  102   1HD2  ASN  17          2HD2      ASN  17   2.627 -10.078  -0.922
  103   2HD2  ASN  17          1HD2      ASN  17   3.096  -8.660  -0.115
  104    H    GLU  18           H        GLU  18   3.665  -8.550   4.259
  105    HA   GLU  18           HA       GLU  18   3.842  -5.625   4.543
  106   1HB   GLU  18          2HB       GLU  18   5.509  -6.229   6.246
  107   2HB   GLU  18          1HB       GLU  18   4.057  -7.212   6.438
  108   1HG   GLU  18          2HG       GLU  18   5.566  -8.687   4.646
  109   2HG   GLU  18          1HG       GLU  18   6.781  -8.038   5.749
  110    H    GLN  19           H        GLN  19   4.850  -7.641   2.206
  111    HA   GLN  19           HA       GLN  19   7.638  -6.818   1.930
  112   1HB   GLN  19          2HB       GLN  19   5.701  -8.109  -0.018
  113   2HB   GLN  19          1HB       GLN  19   7.456  -8.070  -0.187
  114   1HG   GLN  19          2HG       GLN  19   7.780  -9.689   1.396
  115   2HG   GLN  19          1HG       GLN  19   6.426  -9.139   2.383
  116   1HE2  GLN  19          2HE2      GLN  19   5.729 -11.831  -0.643
  117   2HE2  GLN  19          1HE2      GLN  19   7.159 -10.916  -0.653
  118    H    CYS  20           HN       CCU  20   4.861  -5.119   1.592
  119    HA   CYS  20           HA       CCU  20   6.036  -3.344  -0.496
  120   1HB   CYS  20          2HB       CCU  20   3.746  -3.109  -1.347
  121   2HB   CYS  20          1HB       CCU  20   4.225  -4.797  -1.369
  122    H    GLN  21           H        GLN  21   5.814  -3.322   2.596
  123    HA   GLN  21           HA       GLN  21   3.915  -1.191   3.188
  124   1HB   GLN  21          2HB       GLN  21   6.287  -2.184   4.799
  125   2HB   GLN  21          1HB       GLN  21   4.842  -1.389   5.422
  126   1HG   GLN  21          2HG       GLN  21   4.332  -3.816   3.809
  127   2HG   GLN  21          1HG       GLN  21   5.166  -4.095   5.336
  128   1HE2  GLN  21          2HE2      GLN  21   1.568  -2.143   5.706
  129   2HE2  GLN  21          1HE2      GLN  21   2.671  -1.635   4.521
  130    H    LYS  22           H        LYS  22   6.702  -1.120   1.482
  131    HA   LYS  22           HA       LYS  22   7.169   1.747   2.130
  132   1HB   LYS  22          2HB       LYS  22   9.583   1.326   2.290
  133   2HB   LYS  22          1HB       LYS  22   8.729   0.317   3.456
  134   1HG   LYS  22          2HG       LYS  22   9.524  -1.553   2.493
  135   2HG   LYS  22          1HG       LYS  22   8.895  -1.052   0.923
  136   1HD   LYS  22          2HD       LYS  22  10.888  -0.079   0.275
  137   2HD   LYS  22          1HD       LYS  22  11.368   0.290   1.932
  138   1HE   LYS  22          2HE       LYS  22  11.122  -2.601   1.210
  139   2HE   LYS  22          1HE       LYS  22  12.522  -1.713   0.575
  140   1HZ   LYS  22          1HZ       LYS  22  11.663  -1.499   3.402
  141   2HZ   LYS  22          3HZ       LYS  22  12.770  -2.676   2.890
  142   3HZ   LYS  22          2HZ       LYS  22  13.145  -1.029   2.716
  143    H    SER  23           H        SER  23   6.305  -0.336  -0.150
  144    HA   SER  23           HA       SER  23   7.523   1.271  -2.332
  145   1HB   SER  23          2HB       SER  23   8.348  -1.356  -1.521
  146   2HB   SER  23          1HB       SER  23   7.593  -1.474  -3.108
  147    HG   SER  23           HG       SER  23   8.998   0.574  -3.421
  148    H    CYS  24           HN       CNP  24   4.784   0.740  -1.079
  149    HA   CYS  24           HA       CNP  24   3.278  -0.737  -3.080
  150   1HB   CYS  24          2HB       CNP  24   1.730  -0.591  -1.378
  151   2HB   CYS  24          1HB       CNP  24   3.124  -0.153  -0.462
  152    H    SER  25           H        SER  25   2.109   0.217  -4.807
  153    HA   SER  25           HA       SER  25   2.753   3.063  -5.386
  154   1HB   SER  25          2HB       SER  25   1.533   0.784  -6.976
  155   2HB   SER  25          1HB       SER  25   1.838   2.388  -7.636
  156    HG   SER  25           HG       SER  25   3.881   0.977  -6.313
  157    H    CYS  26           HN       CCU  26   0.980   3.139  -3.350
  158    HA   CYS  26           HA       CCU  26  -1.726   3.463  -4.589
  159   1HB   CYS  26          2HB       CCU  26  -0.767   3.191  -1.723
  160   2HB   CYS  26          1HB       CCU  26  -2.454   3.352  -2.205
  161    HA   PRO  27           HA       PRO  27  -1.277   7.824  -4.155
  162   1HB   PRO  27          2HB       PRO  27  -3.917   8.537  -4.110
  163   2HB   PRO  27          1HB       PRO  27  -3.089   8.004  -5.587
  164   1HG   PRO  27          2HG       PRO  27  -4.936   6.507  -3.807
  165   2HG   PRO  27          1HG       PRO  27  -4.754   6.435  -5.565
  166   1HD   PRO  27          2HD       PRO  27  -3.732   4.573  -3.818
  167   2HD   PRO  27          1HD       PRO  27  -3.101   4.872  -5.452
  168    H    THR  28           H        THR  28  -2.585   9.637  -2.685
  169    HA   THR  28           HA       THR  28  -2.232   8.662   0.087
  170    HB   THR  28           HB       THR  28  -1.201  10.781  -0.747
  171    HG1  THR  28           HG1      THR  28  -1.730  10.603   1.449
  172   1HG2  THR  28          3HG2      THR  28  -4.078  11.367  -1.327
  173   2HG2  THR  28          2HG2      THR  28  -3.017  12.702  -0.875
  174   3HG2  THR  28          1HG2      THR  28  -2.646  11.722  -2.293
  175    H    GLY  29           H        GLY  29  -4.406   7.579  -1.191
  176   1HA   GLY  29          2HA       GLY  29  -6.616   8.638   0.483
  177   2HA   GLY  29          1HA       GLY  29  -6.922   8.321  -1.232
  178    H    CYS  30           HN       CCU  30  -4.559   6.328   0.227
  179    HA   CYS  30           HA       CCU  30  -6.353   3.979  -0.031
  180   1HB   CYS  30          2HB       CCU  30  -3.875   4.448  -0.848
  181   2HB   CYS  30          1HB       CCU  30  -3.473   3.892   0.774
  182    H    ASN  31           H        ASN  31  -7.190   5.434   2.107
  183    HA   ASN  31           HA       ASN  31  -5.895   4.333   4.553
  184   1HB   ASN  31          2HB       ASN  31  -8.002   6.441   4.000
  185   2HB   ASN  31          1HB       ASN  31  -7.497   5.983   5.627
  186   1HD2  ASN  31          2HD2      ASN  31  -4.152   7.350   5.162
  187   2HD2  ASN  31          1HD2      ASN  31  -4.920   5.999   5.844
  188    H    SER  32           H        SER  32  -7.918   3.030   2.470
  189    HA   SER  32           HA       SER  32  -9.373   1.494   4.527
  190   1HB   SER  32          2HB       SER  32 -11.467   2.123   2.901
  191   2HB   SER  32          1HB       SER  32 -11.087   3.005   4.377
  192    HG   SER  32           HG       SER  32 -10.429   3.628   1.698
  193    H    ASP  33           H        ASP  33 -10.613  -0.332   3.438
  194    HA   ASP  33           HA       ASP  33  -8.988  -1.529   1.330
  195   1HB   ASP  33          2HB       ASP  33 -10.723  -3.352   1.614
  196   2HB   ASP  33          1HB       ASP  33  -9.924  -2.872   3.113
  197    H    ASP  34           H        ASP  34  -9.268  -0.352  -0.620
  198    HA   ASP  34           HA       ASP  34 -11.986  -0.338  -1.788
  199   1HB   ASP  34          2HB       ASP  34 -10.844   1.850  -0.918
  200   2HB   ASP  34          1HB       ASP  34  -9.886   1.684  -2.389
  201    H    LYS  35           H        LYS  35 -10.385   0.882  -3.993
  202    HA   LYS  35           HA       LYS  35  -9.838  -1.630  -5.391
  203   1HB   LYS  35          2HB       LYS  35  -9.455   1.235  -6.320
  204   2HB   LYS  35          1HB       LYS  35  -9.623  -0.189  -7.346
  205   1HG   LYS  35          2HG       LYS  35 -11.879  -0.181  -5.645
  206   2HG   LYS  35          1HG       LYS  35 -11.692   1.476  -6.221
  207   1HD   LYS  35          2HD       LYS  35 -12.727   0.772  -8.106
  208   2HD   LYS  35          1HD       LYS  35 -11.204  -0.028  -8.495
  209   1HE   LYS  35          2HE       LYS  35 -12.830  -1.763  -8.643
  210   2HE   LYS  35          1HE       LYS  35 -12.114  -1.989  -7.035
  211   1HZ   LYS  35          2HZ       LYS  35 -13.879  -0.373  -6.245
  212   2HZ   LYS  35          1HZ       LYS  35 -14.654  -0.637  -7.734
  213   3HZ   LYS  35          3HZ       LYS  35 -14.416  -1.930  -6.662
  214    H    CYS  36           HN       CCU  36  -8.363  -0.765  -3.088
  215    HA   CYS  36           HA       CCU  36  -5.824   0.340  -3.465
  216   1HB   CYS  36          2HB       CCU  36  -6.699  -0.297  -1.314
  217   2HB   CYS  36          1HB       CCU  36  -6.842  -1.982  -1.806
  218    HA   PRO  37           HA       PRO  37  -4.397  -2.807  -6.393
  219   1HB   PRO  37          2HB       PRO  37  -2.654  -1.156  -7.689
  220   2HB   PRO  37          1HB       PRO  37  -4.394  -1.177  -8.032
  221   1HG   PRO  37          2HG       PRO  37  -2.791   0.800  -6.538
  222   2HG   PRO  37          1HG       PRO  37  -4.284   1.017  -7.460
  223   1HD   PRO  37          2HD       PRO  37  -4.055   0.843  -4.666
  224   2HD   PRO  37          1HD       PRO  37  -5.555   0.761  -5.613
  225    H    CYS  38           HN       CCU  38  -3.416  -2.931  -3.783
  226    HA   CYS  38           HA       CCU  38  -0.485  -2.576  -3.907
  227   1HB   CYS  38          2HB       CCU  38  -2.370  -2.117  -2.110
  228   2HB   CYS  38          1HB       CCU  38  -1.965  -3.742  -1.626
  229    H    GLY  39           H        GLY  39  -2.337  -4.598  -5.096
  230   1HA   GLY  39          2HA       GLY  39  -0.548  -6.920  -4.832
  231   2HA   GLY  39          1HA       GLY  39  -2.199  -7.194  -4.277
  232    H    ASN  40           HN       ASN  40  -3.806  -6.049  -6.062
  233    HA   ASN  40           HA       ASN  40  -3.233  -7.555  -8.557
  234   1HB   ASN  40          2HB       ASN  40  -5.390  -7.589  -7.109
  235   2HB   ASN  40          1HB       ASN  40  -5.735  -6.024  -7.845
  236   1HD2  ASN  40          2HD2      ASN  40  -6.495  -7.385 -11.041
  237   2HD2  ASN  40          1HD2      ASN  40  -6.146  -5.967 -10.174
   
  Start of MODEL    3
    1   1H    GLN   1          1H        GLN   1   9.474   4.681 -12.266
    2   2H    GLN   1          3H        GLN   1  10.658   5.881 -12.075
    3   3H    GLN   1          2H        GLN   1  10.450   5.128 -13.583
    4    HA   GLN   1           HA       GLN   1  11.448   3.161 -12.910
    5   1HB   GLN   1          2HB       GLN   1  12.862   5.292 -13.012
    6   2HB   GLN   1          1HB       GLN   1  12.813   5.292 -11.249
    7   1HG   GLN   1          2HG       GLN   1  14.814   4.137 -11.789
    8   2HG   GLN   1          1HG       GLN   1  13.658   2.865 -11.396
    9   1HE2  GLN   1          2HE2      GLN   1  15.067   3.212 -15.209
   10   2HE2  GLN   1          1HE2      GLN   1  15.451   4.380 -14.039
   11    H    ASN   2           H        ASN   2  11.252   5.145  -9.920
   12    HA   ASN   2           HA       ASN   2  10.377   2.674  -8.462
   13   1HB   ASN   2          2HB       ASN   2  12.527   4.703  -7.815
   14   2HB   ASN   2          1HB       ASN   2  11.860   3.623  -6.591
   15   1HD2  ASN   2          2HD2      ASN   2  13.889   0.943  -7.605
   16   2HD2  ASN   2          1HD2      ASN   2  12.951   1.667  -6.389
   17    H    GLU   3           H        GLU   3   8.386   3.099  -7.600
   18    HA   GLU   3           HA       GLU   3   7.821   5.893  -6.651
   19   1HB   GLU   3          2HB       GLU   3   6.588   4.317  -8.634
   20   2HB   GLU   3          1HB       GLU   3   5.487   4.270  -7.255
   21   1HG   GLU   3          2HG       GLU   3   4.816   6.371  -7.688
   22   2HG   GLU   3          1HG       GLU   3   6.477   6.948  -7.553
   23    H    GLY   4           H        GLY   4   9.010   4.314  -4.800
   24   1HA   GLY   4          2HA       GLY   4   6.843   3.002  -3.232
   25   2HA   GLY   4          1HA       GLY   4   8.573   2.768  -2.974
   26    H    HIS   5           H        HIS   5   6.897   3.439  -0.814
   27    HA   HIS   5           HA       HIS   5   8.171   5.955   0.027
   28   1HB   HIS   5          2HB       HIS   5   5.656   6.668   0.685
   29   2HB   HIS   5          1HB       HIS   5   6.379   7.105  -0.860
   30    HD1  HIS   5           HD1      HIS   5   3.559   5.261   0.598
   31    HD2  HIS   5           HD2      HIS   5   5.605   5.236  -3.035
   32    HE1  HIS   5           HE1      HIS   5   2.094   4.013  -1.050
   33    H    GLU   6           H        GLU   6   5.155   4.967   1.442
   34    HA   GLU   6           HA       GLU   6   6.446   3.221   3.447
   35   1HB   GLU   6          2HB       GLU   6   6.076   6.053   3.760
   36   2HB   GLU   6          1HB       GLU   6   5.004   5.220   4.886
   37   1HG   GLU   6          2HG       GLU   6   6.977   3.822   5.607
   38   2HG   GLU   6          1HG       GLU   6   8.001   4.869   4.622
   39    H    CYS   7           HN       CNP   7   4.890   1.609   2.846
   40    HA   CYS   7           HA       CNP   7   2.091   2.201   2.664
   41   1HB   CYS   7          2HB       CNP   7   2.723   0.459   1.335
   42   2HB   CYS   7          1HB       CNP   7   3.918  -0.140   2.401
   43    H    GLN   8           H        GLN   8   1.791   3.185   4.760
   44    HA   GLN   8           HA       GLN   8   2.075   1.473   7.147
   45   1HB   GLN   8          2HB       GLN   8   1.675   4.262   6.480
   46   2HB   GLN   8          1HB       GLN   8   0.377   3.738   7.553
   47   1HG   GLN   8          2HG       GLN   8   3.358   3.546   8.050
   48   2HG   GLN   8          1HG       GLN   8   2.181   4.500   8.953
   49   1HE2  GLN   8          2HE2      GLN   8   2.715   0.591   9.870
   50   2HE2  GLN   8          1HE2      GLN   8   3.633   1.354   8.662
   51    H    CYS   9           HN       CCU   9   0.389   1.072   4.515
   52    HA   CYS   9           HA       CCU   9  -2.345   1.238   4.897
   53   1HB   CYS   9          2HB       CCU   9  -0.619  -0.904   3.657
   54   2HB   CYS   9          1HB       CCU   9  -2.312  -0.636   3.334
   55    H    GLN  10           H        GLN  10  -3.754   0.324   6.118
   56    HA   GLN  10           HA       GLN  10  -3.024  -2.073   7.759
   57   1HB   GLN  10          2HB       GLN  10  -4.485   0.486   8.251
   58   2HB   GLN  10          1HB       GLN  10  -5.155  -0.955   9.019
   59   1HG   GLN  10          2HG       GLN  10  -3.459  -1.070  10.513
   60   2HG   GLN  10          1HG       GLN  10  -2.242  -0.793   9.267
   61   1HE2  GLN  10          2HE2      GLN  10  -1.750   2.523  10.306
   62   2HE2  GLN  10          1HE2      GLN  10  -1.115   1.121   9.591
   63    H    CYS  11           HN       CNP  11  -4.224  -1.522   4.949
   64    HA   CYS  11           HA       CNP  11  -6.944  -2.124   4.785
   65   1HB   CYS  11          2HB       CNP  11  -4.646  -3.043   3.037
   66   2HB   CYS  11          1HB       CNP  11  -6.299  -2.804   2.546
   67    H    GLY  12           H        GLY  12  -6.750  -4.567   3.164
   68   1HA   GLY  12          2HA       GLY  12  -6.640  -6.563   5.379
   69   2HA   GLY  12          1HA       GLY  12  -7.639  -6.729   3.932
   70    H    SER  13           H        SER  13  -5.255  -5.577   2.394
   71    HA   SER  13           HA       SER  13  -3.762  -8.161   2.178
   72   1HB   SER  13          2HB       SER  13  -4.646  -6.028   0.251
   73   2HB   SER  13          1HB       SER  13  -3.285  -7.065  -0.165
   74    HG   SER  13           HG       SER  13  -5.709  -8.143   0.792
   75    H    CYS  14           HN       CCU  14  -3.452  -5.195   3.509
   76    HA   CYS  14           HA       CCU  14  -0.623  -4.809   2.769
   77   1HB   CYS  14          2HB       CCU  14  -2.918  -3.194   3.713
   78   2HB   CYS  14          1HB       CCU  14  -1.322  -2.679   4.193
   79    H    LYS  15           H        LYS  15  -2.818  -5.306   5.346
   80    HA   LYS  15           HA       LYS  15  -1.104  -4.983   7.604
   81   1HB   LYS  15          2HB       LYS  15  -3.749  -5.851   6.974
   82   2HB   LYS  15          1HB       LYS  15  -3.031  -7.061   8.038
   83   1HG   LYS  15          2HG       LYS  15  -2.492  -4.265   8.819
   84   2HG   LYS  15          1HG       LYS  15  -4.188  -4.744   8.919
   85   1HD   LYS  15          2HD       LYS  15  -2.651  -6.896   9.965
   86   2HD   LYS  15          1HD       LYS  15  -2.041  -5.413  10.703
   87   1HE   LYS  15          2HE       LYS  15  -4.465  -4.791  11.194
   88   2HE   LYS  15          1HE       LYS  15  -4.890  -6.449  10.728
   89   1HZ   LYS  15          1HZ       LYS  15  -2.619  -6.119  12.526
   90   2HZ   LYS  15          3HZ       LYS  15  -4.153  -5.826  13.188
   91   3HZ   LYS  15          2HZ       LYS  15  -3.804  -7.335  12.490
   92    H    ASN  16           H        ASN  16  -1.798  -7.865   5.610
   93    HA   ASN  16           HA       ASN  16   0.201  -9.423   7.173
   94   1HB   ASN  16          2HB       ASN  16  -2.283  -9.973   6.092
   95   2HB   ASN  16          1HB       ASN  16  -1.186 -10.687   4.909
   96   1HD2  ASN  16          2HD2      ASN  16  -1.906 -12.936   7.984
   97   2HD2  ASN  16          1HD2      ASN  16  -2.967 -11.896   7.163
   98    H    ASN  17           H        ASN  17  -0.386  -8.134   3.921
   99    HA   ASN  17           HA       ASN  17   1.993  -9.426   2.788
  100   1HB   ASN  17          2HB       ASN  17  -0.354  -8.547   1.790
  101   2HB   ASN  17          1HB       ASN  17   0.636  -7.120   1.477
  102   1HD2  ASN  17          2HD2      ASN  17   1.158  -9.166  -1.518
  103   2HD2  ASN  17          1HD2      ASN  17  -0.031  -8.156  -0.851
  104    H    GLU  18           H        GLU  18   3.678  -8.558   4.197
  105    HA   GLU  18           HA       GLU  18   4.090  -5.633   4.243
  106   1HB   GLU  18          2HB       GLU  18   6.004  -6.322   5.702
  107   2HB   GLU  18          1HB       GLU  18   4.459  -6.976   6.248
  108   1HG   GLU  18          2HG       GLU  18   5.017  -9.133   5.691
  109   2HG   GLU  18          1HG       GLU  18   6.006  -8.631   4.319
  110    H    GLN  19           H        GLN  19   4.572  -7.859   1.954
  111    HA   GLN  19           HA       GLN  19   7.336  -7.555   1.228
  112   1HB   GLN  19          2HB       GLN  19   4.955  -8.876   0.333
  113   2HB   GLN  19          1HB       GLN  19   5.696  -8.063  -1.046
  114   1HG   GLN  19          2HG       GLN  19   7.845  -9.148  -0.555
  115   2HG   GLN  19          1HG       GLN  19   7.136  -9.937   0.855
  116   1HE2  GLN  19          2HE2      GLN  19   4.863 -11.837  -1.457
  117   2HE2  GLN  19          1HE2      GLN  19   4.609 -10.695  -0.228
  118    H    CYS  20           HN       CCU  20   4.829  -5.373   1.205
  119    HA   CYS  20           HA       CCU  20   6.218  -3.646  -0.794
  120   1HB   CYS  20          2HB       CCU  20   3.880  -2.907  -1.374
  121   2HB   CYS  20          1HB       CCU  20   4.205  -4.589  -1.773
  122    H    GLN  21           H        GLN  21   6.030  -3.888   2.325
  123    HA   GLN  21           HA       GLN  21   4.588  -1.549   3.200
  124   1HB   GLN  21          2HB       GLN  21   5.711  -3.814   4.298
  125   2HB   GLN  21          1HB       GLN  21   6.798  -2.544   4.864
  126   1HG   GLN  21          2HG       GLN  21   5.280  -1.973   6.410
  127   2HG   GLN  21          1HG       GLN  21   4.160  -1.542   5.117
  128   1HE2  GLN  21          2HE2      GLN  21   2.051  -4.269   5.786
  129   2HE2  GLN  21          1HE2      GLN  21   2.255  -2.740   5.077
  130    H    LYS  22           H        LYS  22   7.283  -1.678   1.341
  131    HA   LYS  22           HA       LYS  22   8.265   0.939   2.395
  132   1HB   LYS  22          2HB       LYS  22   9.665  -1.650   2.024
  133   2HB   LYS  22          1HB       LYS  22  10.545  -0.224   1.473
  134   1HG   LYS  22          2HG       LYS  22   9.874   0.797   3.774
  135   2HG   LYS  22          1HG       LYS  22   9.568  -0.875   4.246
  136   1HD   LYS  22          2HD       LYS  22  12.116  -0.550   2.840
  137   2HD   LYS  22          1HD       LYS  22  12.034   0.393   4.329
  138   1HE   LYS  22          2HE       LYS  22  11.769  -1.503   5.676
  139   2HE   LYS  22          1HE       LYS  22  11.125  -2.480   4.342
  140   1HZ   LYS  22          3HZ       LYS  22  13.877  -1.376   4.367
  141   2HZ   LYS  22          2HZ       LYS  22  13.504  -2.939   4.919
  142   3HZ   LYS  22          1HZ       LYS  22  13.234  -2.521   3.294
  143    H    SER  23           H        SER  23   6.891  -0.604  -0.120
  144    HA   SER  23           HA       SER  23   7.698   1.459  -2.045
  145   1HB   SER  23          2HB       SER  23   8.977  -1.123  -1.908
  146   2HB   SER  23          1HB       SER  23   8.103  -0.985  -3.430
  147    HG   SER  23           HG       SER  23  10.370   0.262  -2.597
  148    H    CYS  24           HN       CNP  24   5.192   0.788  -0.865
  149    HA   CYS  24           HA       CNP  24   3.647  -0.906  -2.639
  150   1HB   CYS  24          2HB       CNP  24   2.173  -0.641  -0.878
  151   2HB   CYS  24          1HB       CNP  24   3.604  -0.100  -0.086
  152    H    SER  25           H        SER  25   1.766   0.001  -3.895
  153    HA   SER  25           HA       SER  25   2.497   2.649  -5.091
  154   1HB   SER  25          2HB       SER  25   0.989   0.206  -6.065
  155   2HB   SER  25          1HB       SER  25   1.029   1.715  -6.973
  156    HG   SER  25           HG       SER  25   2.975   1.232  -7.588
  157    H    CYS  26           HN       CCU  26   1.162   2.883  -2.699
  158    HA   CYS  26           HA       CCU  26  -1.740   2.948  -3.066
  159   1HB   CYS  26          2HB       CCU  26   0.275   3.656  -0.965
  160   2HB   CYS  26          1HB       CCU  26  -1.374   4.258  -0.797
  161    HA   PRO  27           HA       PRO  27  -1.438   7.072  -4.852
  162   1HB   PRO  27          2HB       PRO  27  -4.020   7.128  -5.748
  163   2HB   PRO  27          1HB       PRO  27  -2.722   6.297  -6.627
  164   1HG   PRO  27          2HG       PRO  27  -4.855   5.175  -4.896
  165   2HG   PRO  27          1HG       PRO  27  -4.119   4.507  -6.359
  166   1HD   PRO  27          2HD       PRO  27  -3.506   3.709  -3.793
  167   2HD   PRO  27          1HD       PRO  27  -2.438   3.503  -5.197
  168    H    THR  28           H        THR  28  -3.397   8.923  -4.590
  169    HA   THR  28           HA       THR  28  -3.778   9.062  -1.656
  170    HB   THR  28           HB       THR  28  -2.850  10.969  -2.976
  171    HG1  THR  28           HG1      THR  28  -3.838  11.710  -1.218
  172   1HG2  THR  28          1HG2      THR  28  -4.840  10.254  -4.793
  173   2HG2  THR  28          3HG2      THR  28  -5.394  11.791  -4.131
  174   3HG2  THR  28          2HG2      THR  28  -3.807  11.679  -4.890
  175    H    GLY  29           H        GLY  29  -5.277   7.103  -2.809
  176   1HA   GLY  29          2HA       GLY  29  -8.010   8.069  -2.219
  177   2HA   GLY  29          1HA       GLY  29  -7.755   7.197  -3.738
  178    H    CYS  30           HN       CCU  30  -5.667   6.353  -1.147
  179    HA   CYS  30           HA       CCU  30  -7.014   3.694  -0.955
  180   1HB   CYS  30          2HB       CCU  30  -4.488   4.400  -1.442
  181   2HB   CYS  30          1HB       CCU  30  -4.402   4.397   0.315
  182    H    ASN  31           H        ASN  31  -8.480   5.555   0.385
  183    HA   ASN  31           HA       ASN  31  -7.625   5.650   3.219
  184   1HB   ASN  31          2HB       ASN  31  -8.830   7.439   1.665
  185   2HB   ASN  31          1HB       ASN  31 -10.281   6.585   2.193
  186   1HD2  ASN  31          2HD2      ASN  31  -8.555   9.184   4.704
  187   2HD2  ASN  31          1HD2      ASN  31  -8.168   9.085   3.054
  188    H    SER  32           H        SER  32  -9.246   3.456   1.250
  189    HA   SER  32           HA       SER  32 -10.652   2.289   3.627
  190   1HB   SER  32          2HB       SER  32 -11.616   2.709   0.787
  191   2HB   SER  32          1HB       SER  32 -12.433   1.636   1.919
  192    HG   SER  32           HG       SER  32 -12.774   3.394   3.274
  193    H    ASP  33           H        ASP  33 -11.201  -0.102   3.146
  194    HA   ASP  33           HA       ASP  33  -8.775  -1.435   2.151
  195   1HB   ASP  33          2HB       ASP  33  -9.867  -2.180   4.196
  196   2HB   ASP  33          1HB       ASP  33 -11.401  -2.379   3.346
  197    H    ASP  34           H        ASP  34 -11.209  -0.103   0.508
  198    HA   ASP  34           HA       ASP  34 -11.242  -2.283  -1.537
  199   1HB   ASP  34          2HB       ASP  34 -13.378  -1.871  -0.112
  200   2HB   ASP  34          1HB       ASP  34 -13.531  -0.373  -1.029
  201    H    LYS  35           H        LYS  35  -9.434  -0.195  -1.374
  202    HA   LYS  35           HA       LYS  35  -9.768   1.023  -4.001
  203   1HB   LYS  35          2HB       LYS  35 -10.362   2.425  -1.481
  204   2HB   LYS  35          1HB       LYS  35  -9.168   3.269  -2.468
  205   1HG   LYS  35          2HG       LYS  35 -10.782   2.932  -4.434
  206   2HG   LYS  35          1HG       LYS  35 -11.986   2.481  -3.226
  207   1HD   LYS  35          2HD       LYS  35 -12.363   4.643  -2.736
  208   2HD   LYS  35          1HD       LYS  35 -10.652   4.888  -2.381
  209   1HE   LYS  35          2HE       LYS  35 -10.209   5.207  -4.814
  210   2HE   LYS  35          1HE       LYS  35 -11.950   5.045  -5.127
  211   1HZ   LYS  35          2HZ       LYS  35 -10.972   6.919  -3.071
  212   2HZ   LYS  35          1HZ       LYS  35 -10.992   7.388  -4.704
  213   3HZ   LYS  35          3HZ       LYS  35 -12.437   6.947  -3.933
  214    H    CYS  36           HN       CCU  36  -8.082  -0.816  -2.680
  215    HA   CYS  36           HA       CCU  36  -5.489   0.655  -2.407
  216   1HB   CYS  36          2HB       CCU  36  -6.368  -0.719  -0.536
  217   2HB   CYS  36          1HB       CCU  36  -6.355  -2.133  -1.585
  218    HA   PRO  37           HA       PRO  37  -4.860  -1.564  -6.347
  219   1HB   PRO  37          2HB       PRO  37  -3.620   0.502  -7.635
  220   2HB   PRO  37          1HB       PRO  37  -5.386   0.344  -7.561
  221   1HG   PRO  37          2HG       PRO  37  -3.602   2.189  -6.116
  222   2HG   PRO  37          1HG       PRO  37  -5.302   2.375  -6.565
  223   1HD   PRO  37          2HD       PRO  37  -4.286   1.694  -4.022
  224   2HD   PRO  37          1HD       PRO  37  -5.983   1.654  -4.541
  225    H    CYS  38           HN       CCU  38  -3.297  -1.926  -4.032
  226    HA   CYS  38           HA       CCU  38  -0.550  -1.091  -4.322
  227   1HB   CYS  38          2HB       CCU  38  -2.120  -1.998  -2.366
  228   2HB   CYS  38          1HB       CCU  38  -1.410  -3.530  -2.840
  229    H    GLY  39           H        GLY  39   0.856  -3.413  -3.919
  230   1HA   GLY  39          2HA       GLY  39   1.289  -4.384  -6.575
  231   2HA   GLY  39          1HA       GLY  39   1.960  -5.110  -5.113
  232    H    ASN  40           HN       ASN  40   0.036  -6.193  -3.739
  233    HA   ASN  40           HA       ASN  40  -1.323  -8.055  -5.644
  234   1HB   ASN  40          2HB       ASN  40   0.186  -8.288  -3.209
  235   2HB   ASN  40          1HB       ASN  40  -1.435  -8.924  -2.931
  236   1HD2  ASN  40          2HD2      ASN  40  -1.040 -11.661  -5.192
  237   2HD2  ASN  40          1HD2      ASN  40  -2.178 -10.694  -4.386
   
  Start of MODEL    4
    1   1H    GLN   1          3H        GLN   1  15.036  -0.868 -10.502
    2   2H    GLN   1          2H        GLN   1  16.714  -0.786 -10.253
    3   3H    GLN   1          1H        GLN   1  15.910  -2.281 -10.162
    4    HA   GLN   1           HA       GLN   1  15.053  -1.875  -8.088
    5   1HB   GLN   1          2HB       GLN   1  17.742  -1.209  -8.662
    6   2HB   GLN   1          1HB       GLN   1  17.186  -0.018  -7.485
    7   1HG   GLN   1          2HG       GLN   1  16.196  -2.074  -6.224
    8   2HG   GLN   1          1HG       GLN   1  17.311  -3.015  -7.217
    9   1HE2  GLN   1          2HE2      GLN   1  20.064  -0.819  -5.747
   10   2HE2  GLN   1          1HE2      GLN   1  19.362  -0.851  -7.292
   11    H    ASN   2           H        ASN   2  13.417  -0.633  -7.267
   12    HA   ASN   2           HA       ASN   2  13.635   2.337  -7.415
   13   1HB   ASN   2          2HB       ASN   2  12.407   1.557  -9.403
   14   2HB   ASN   2          1HB       ASN   2  11.301   0.648  -8.372
   15   1HD2  ASN   2          2HD2      ASN   2   9.271   3.445  -7.724
   16   2HD2  ASN   2          1HD2      ASN   2   9.469   1.761  -7.648
   17    H    GLU   3           H        GLU   3  11.822   3.337  -6.033
   18    HA   GLU   3           HA       GLU   3  10.918   1.508  -3.849
   19   1HB   GLU   3          2HB       GLU   3  12.410   4.136  -3.558
   20   2HB   GLU   3          1HB       GLU   3  11.755   3.191  -2.220
   21   1HG   GLU   3          2HG       GLU   3  13.191   1.292  -2.841
   22   2HG   GLU   3          1HG       GLU   3  13.835   2.214  -4.200
   23    H    GLY   4           H        GLY   4   8.781   1.881  -3.435
   24   1HA   GLY   4          2HA       GLY   4   7.316   3.978  -4.754
   25   2HA   GLY   4          1HA       GLY   4   6.671   2.914  -3.502
   26    H    HIS   5           H        HIS   5   6.715   3.608  -1.328
   27    HA   HIS   5           HA       HIS   5   8.073   6.120  -0.606
   28   1HB   HIS   5          2HB       HIS   5   5.522   6.782   0.174
   29   2HB   HIS   5          1HB       HIS   5   6.274   7.358  -1.309
   30    HD1  HIS   5           HD1      HIS   5   3.514   5.212  -0.060
   31    HD2  HIS   5           HD2      HIS   5   5.509   5.823  -3.661
   32    HE1  HIS   5           HE1      HIS   5   2.110   4.103  -1.857
   33    H    GLU   6           H        GLU   6   5.083   5.018   0.803
   34    HA   GLU   6           HA       GLU   6   6.370   3.357   2.854
   35   1HB   GLU   6          2HB       GLU   6   5.622   4.948   4.672
   36   2HB   GLU   6          1HB       GLU   6   6.914   5.586   3.654
   37   1HG   GLU   6          2HG       GLU   6   5.618   7.327   3.066
   38   2HG   GLU   6          1HG       GLU   6   4.397   6.221   2.434
   39    H    CYS   7           HN       CNP   7   4.762   1.761   2.346
   40    HA   CYS   7           HA       CNP   7   1.984   2.449   2.167
   41   1HB   CYS   7          2HB       CNP   7   2.447   0.660   0.899
   42   2HB   CYS   7          1HB       CNP   7   3.729   0.066   1.881
   43    H    GLN   8           H        GLN   8   1.644   3.474   4.189
   44    HA   GLN   8           HA       GLN   8   1.988   1.925   6.665
   45   1HB   GLN   8          2HB       GLN   8   1.288   3.931   7.695
   46   2HB   GLN   8          1HB       GLN   8   2.004   4.545   6.207
   47   1HG   GLN   8          2HG       GLN   8  -0.950   3.990   6.640
   48   2HG   GLN   8          1HG       GLN   8  -0.199   5.586   6.623
   49   1HE2  GLN   8          2HE2      GLN   8  -1.097   3.762   3.119
   50   2HE2  GLN   8          1HE2      GLN   8  -1.503   3.073   4.616
   51    H    CYS   9           HN       CCU   9   0.290   1.244   4.087
   52    HA   CYS   9           HA       CCU   9  -2.444   1.341   4.575
   53   1HB   CYS   9          2HB       CCU   9  -0.742  -0.814   3.329
   54   2HB   CYS   9          1HB       CCU   9  -2.443  -0.555   3.075
   55    H    GLN  10           H        GLN  10  -3.734   0.465   5.923
   56    HA   GLN  10           HA       GLN  10  -2.878  -1.885   7.573
   57   1HB   GLN  10          2HB       GLN  10  -4.284   0.698   8.132
   58   2HB   GLN  10          1HB       GLN  10  -4.845  -0.722   9.014
   59   1HG   GLN  10          2HG       GLN  10  -2.550  -1.151   9.803
   60   2HG   GLN  10          1HG       GLN  10  -1.976   0.257   8.910
   61   1HE2  GLN  10          2HE2      GLN  10  -2.793   1.168  12.512
   62   2HE2  GLN  10          1HE2      GLN  10  -1.861  -0.086  11.847
   63    H    CYS  11           HN       CNP  11  -4.284  -1.426   4.874
   64    HA   CYS  11           HA       CNP  11  -7.026  -1.930   4.927
   65   1HB   CYS  11          2HB       CNP  11  -4.885  -3.021   3.081
   66   2HB   CYS  11          1HB       CNP  11  -6.560  -2.751   2.688
   67    H    GLY  12           H        GLY  12  -6.922  -4.460   3.379
   68   1HA   GLY  12          2HA       GLY  12  -6.828  -6.348   5.687
   69   2HA   GLY  12          1HA       GLY  12  -7.857  -6.557   4.264
   70    H    SER  13           H        SER  13  -5.430  -5.513   2.674
   71    HA   SER  13           HA       SER  13  -3.992  -8.137   2.574
   72   1HB   SER  13          2HB       SER  13  -5.324  -6.444   0.612
   73   2HB   SER  13          1HB       SER  13  -3.657  -6.770   0.148
   74    HG   SER  13           HG       SER  13  -5.825  -8.438   0.250
   75    H    CYS  14           HN       CCU  14  -3.610  -5.102   3.686
   76    HA   CYS  14           HA       CCU  14  -0.816  -4.786   2.787
   77   1HB   CYS  14          2HB       CCU  14  -3.056  -3.080   3.700
   78   2HB   CYS  14          1HB       CCU  14  -1.437  -2.550   4.072
   79    H    LYS  15           H        LYS  15  -2.917  -5.065   5.471
   80    HA   LYS  15           HA       LYS  15  -1.021  -4.643   7.601
   81   1HB   LYS  15          2HB       LYS  15  -3.792  -5.401   7.201
   82   2HB   LYS  15          1HB       LYS  15  -3.065  -6.377   8.478
   83   1HG   LYS  15          2HG       LYS  15  -2.181  -3.671   8.799
   84   2HG   LYS  15          1HG       LYS  15  -3.937  -3.668   8.632
   85   1HD   LYS  15          2HD       LYS  15  -3.026  -5.847  10.339
   86   2HD   LYS  15          1HD       LYS  15  -2.507  -4.276  10.953
   87   1HE   LYS  15          2HE       LYS  15  -4.732  -3.478  11.128
   88   2HE   LYS  15          1HE       LYS  15  -5.360  -4.746  10.057
   89   1HZ   LYS  15          2HZ       LYS  15  -4.340  -6.326  11.794
   90   2HZ   LYS  15          1HZ       LYS  15  -4.391  -4.983  12.834
   91   3HZ   LYS  15          3HZ       LYS  15  -5.824  -5.582  12.153
   92    H    ASN  16           H        ASN  16  -1.744  -7.397   5.566
   93    HA   ASN  16           HA       ASN  16  -0.092  -9.161   7.331
   94   1HB   ASN  16          2HB       ASN  16  -1.205 -10.977   6.110
   95   2HB   ASN  16          1HB       ASN  16  -2.411  -9.849   6.727
   96   1HD2  ASN  16          2HD2      ASN  16  -1.998 -10.359   2.721
   97   2HD2  ASN  16          1HD2      ASN  16  -1.023 -11.206   3.822
   98    H    ASN  17           H        ASN  17  -0.518  -8.181   3.914
   99    HA   ASN  17           HA       ASN  17   1.958  -9.525   3.093
  100   1HB   ASN  17          2HB       ASN  17  -0.389  -8.297   1.932
  101   2HB   ASN  17          1HB       ASN  17   1.063  -7.680   1.143
  102   1HD2  ASN  17          2HD2      ASN  17   0.490 -10.685  -0.795
  103   2HD2  ASN  17          1HD2      ASN  17   0.041  -9.051  -0.723
  104    H    GLU  18           H        GLU  18   3.657  -8.512   4.254
  105    HA   GLU  18           HA       GLU  18   3.920  -5.577   4.211
  106   1HB   GLU  18          2HB       GLU  18   4.569  -7.603   5.961
  107   2HB   GLU  18          1HB       GLU  18   6.129  -7.246   5.216
  108   1HG   GLU  18          2HG       GLU  18   6.305  -5.300   6.340
  109   2HG   GLU  18          1HG       GLU  18   4.686  -4.803   5.843
  110    H    GLN  19           H        GLN  19   4.401  -7.771   1.901
  111    HA   GLN  19           HA       GLN  19   7.142  -7.311   1.114
  112   1HB   GLN  19          2HB       GLN  19   5.162  -9.074   0.481
  113   2HB   GLN  19          1HB       GLN  19   5.110  -8.009  -0.924
  114   1HG   GLN  19          2HG       GLN  19   6.890  -9.111  -1.751
  115   2HG   GLN  19          1HG       GLN  19   7.846  -8.464  -0.416
  116   1HE2  GLN  19          2HE2      GLN  19   7.902 -12.249  -0.342
  117   2HE2  GLN  19          1HE2      GLN  19   8.256 -11.116  -1.556
  118    H    CYS  20           HN       CCU  20   4.498  -5.307   1.156
  119    HA   CYS  20           HA       CCU  20   5.706  -3.528  -0.911
  120   1HB   CYS  20          2HB       CCU  20   3.376  -3.043  -1.591
  121   2HB   CYS  20          1HB       CCU  20   3.767  -4.740  -1.814
  122    H    GLN  21           H        GLN  21   5.624  -3.678   2.178
  123    HA   GLN  21           HA       GLN  21   3.993  -1.360   2.931
  124   1HB   GLN  21          2HB       GLN  21   5.324  -3.606   4.139
  125   2HB   GLN  21          1HB       GLN  21   5.835  -2.128   4.955
  126   1HG   GLN  21          2HG       GLN  21   3.812  -3.045   6.010
  127   2HG   GLN  21          1HG       GLN  21   3.472  -1.484   5.261
  128   1HE2  GLN  21          2HE2      GLN  21   0.687  -3.242   3.862
  129   2HE2  GLN  21          1HE2      GLN  21   1.157  -2.187   5.107
  130    H    LYS  22           H        LYS  22   6.754  -1.504   1.232
  131    HA   LYS  22           HA       LYS  22   7.757   1.061   2.389
  132   1HB   LYS  22          2HB       LYS  22   9.029  -1.555   2.317
  133   2HB   LYS  22          1HB       LYS  22  10.010  -0.341   1.493
  134   1HG   LYS  22          2HG       LYS  22   8.916   0.751   3.938
  135   2HG   LYS  22          1HG       LYS  22   9.795  -0.741   4.274
  136   1HD   LYS  22          2HD       LYS  22  11.724   0.150   2.955
  137   2HD   LYS  22          1HD       LYS  22  10.851   1.671   2.771
  138   1HE   LYS  22          2HE       LYS  22  10.695   1.250   5.497
  139   2HE   LYS  22          1HE       LYS  22  12.317   0.643   5.105
  140   1HZ   LYS  22          2HZ       LYS  22  11.231   3.219   4.103
  141   2HZ   LYS  22          1HZ       LYS  22  12.222   3.091   5.478
  142   3HZ   LYS  22          3HZ       LYS  22  12.825   2.649   3.955
  143    H    SER  23           H        SER  23   6.555  -0.442  -0.249
  144    HA   SER  23           HA       SER  23   7.547   1.629  -2.078
  145   1HB   SER  23          2HB       SER  23   8.392  -0.204  -3.666
  146   2HB   SER  23          1HB       SER  23   9.382   0.095  -2.238
  147    HG   SER  23           HG       SER  23   8.938  -2.145  -2.608
  148    H    CYS  24           HN       CNP  24   4.954   0.943  -1.097
  149    HA   CYS  24           HA       CNP  24   3.541  -0.706  -3.018
  150   1HB   CYS  24          2HB       CNP  24   1.959  -0.486  -1.356
  151   2HB   CYS  24          1HB       CNP  24   3.330   0.046  -0.465
  152    H    SER  25           H        SER  25   1.953   0.142  -4.556
  153    HA   SER  25           HA       SER  25   2.696   2.849  -5.563
  154   1HB   SER  25          2HB       SER  25   1.128   1.748  -7.473
  155   2HB   SER  25          1HB       SER  25   2.852   1.412  -7.347
  156    HG   SER  25           HG       SER  25   1.661  -0.514  -7.442
  157    H    CYS  26           HN       CCU  26   1.113   3.097  -3.326
  158    HA   CYS  26           HA       CCU  26  -1.654   3.534  -4.383
  159   1HB   CYS  26          2HB       CCU  26  -0.557   3.180  -1.579
  160   2HB   CYS  26          1HB       CCU  26  -2.260   3.384  -1.985
  161    HA   PRO  27           HA       PRO  27  -0.778   7.858  -3.866
  162   1HB   PRO  27          2HB       PRO  27  -3.269   8.761  -4.510
  163   2HB   PRO  27          1HB       PRO  27  -2.128   8.155  -5.727
  164   1HG   PRO  27          2HG       PRO  27  -4.522   6.861  -4.578
  165   2HG   PRO  27          1HG       PRO  27  -3.799   6.685  -6.182
  166   1HD   PRO  27          2HD       PRO  27  -3.547   4.888  -4.056
  167   2HD   PRO  27          1HD       PRO  27  -2.548   4.919  -5.523
  168    H    THR  28           H        THR  28  -2.548   9.705  -2.870
  169    HA   THR  28           HA       THR  28  -2.820   8.834  -0.056
  170    HB   THR  28           HB       THR  28  -1.801  11.041  -0.886
  171    HG1  THR  28           HG1      THR  28  -2.891  12.223   0.791
  172   1HG2  THR  28          2HG2      THR  28  -3.878  11.278  -2.492
  173   2HG2  THR  28          1HG2      THR  28  -4.626  12.030  -1.082
  174   3HG2  THR  28          3HG2      THR  28  -3.154  12.715  -1.771
  175    H    GLY  29           H        GLY  29  -4.543   7.515  -1.714
  176   1HA   GLY  29          2HA       GLY  29  -7.160   8.479  -0.702
  177   2HA   GLY  29          1HA       GLY  29  -7.017   8.053  -2.413
  178    H    CYS  30           HN       CCU  30  -4.963   6.321  -0.297
  179    HA   CYS  30           HA       CCU  30  -6.524   3.841  -0.811
  180   1HB   CYS  30          2HB       CCU  30  -3.976   4.356  -1.134
  181   2HB   CYS  30          1HB       CCU  30  -3.874   4.034   0.595
  182    H    ASN  31           H        ASN  31  -7.903   5.345   0.965
  183    HA   ASN  31           HA       ASN  31  -7.194   4.385   3.705
  184   1HB   ASN  31          2HB       ASN  31  -8.945   6.550   2.531
  185   2HB   ASN  31          1HB       ASN  31  -9.097   6.077   4.224
  186   1HD2  ASN  31          2HD2      ASN  31  -5.635   7.148   4.919
  187   2HD2  ASN  31          1HD2      ASN  31  -6.586   5.764   5.166
  188    H    SER  32           H        SER  32  -8.532   2.811   1.407
  189    HA   SER  32           HA       SER  32 -10.905   1.902   2.999
  190   1HB   SER  32          2HB       SER  32 -10.681   2.999   0.283
  191   2HB   SER  32          1HB       SER  32 -11.543   1.463   0.337
  192    HG   SER  32           HG       SER  32 -12.526   3.779   0.893
  193    H    ASP  33           H        ASP  33 -11.570  -0.374   2.265
  194    HA   ASP  33           HA       ASP  33  -9.110  -1.998   1.831
  195   1HB   ASP  33          2HB       ASP  33 -11.872  -2.464   2.963
  196   2HB   ASP  33          1HB       ASP  33 -10.812  -3.820   2.572
  197    H    ASP  34           H        ASP  34 -11.389  -0.642  -0.067
  198    HA   ASP  34           HA       ASP  34 -11.245  -2.880  -2.040
  199   1HB   ASP  34          2HB       ASP  34 -13.613  -1.134  -1.282
  200   2HB   ASP  34          1HB       ASP  34 -13.602  -2.202  -2.686
  201    H    LYS  35           H        LYS  35  -9.540  -0.705  -1.825
  202    HA   LYS  35           HA       LYS  35  -9.762   0.430  -4.501
  203   1HB   LYS  35          2HB       LYS  35 -10.603   1.864  -2.078
  204   2HB   LYS  35          1HB       LYS  35  -9.362   2.737  -2.977
  205   1HG   LYS  35          2HG       LYS  35 -10.751   2.391  -5.059
  206   2HG   LYS  35          1HG       LYS  35 -12.032   1.765  -4.020
  207   1HD   LYS  35          2HD       LYS  35 -10.977   4.283  -3.009
  208   2HD   LYS  35          1HD       LYS  35 -11.590   4.451  -4.654
  209   1HE   LYS  35          2HE       LYS  35 -13.739   4.272  -3.949
  210   2HE   LYS  35          1HE       LYS  35 -13.366   2.825  -2.993
  211   1HZ   LYS  35          3HZ       LYS  35 -12.196   4.391  -1.418
  212   2HZ   LYS  35          2HZ       LYS  35 -12.971   5.663  -2.235
  213   3HZ   LYS  35          1HZ       LYS  35 -13.889   4.482  -1.427
  214    H    CYS  36           HN       CCU  36  -8.083  -1.287  -3.013
  215    HA   CYS  36           HA       CCU  36  -5.584   0.319  -2.646
  216   1HB   CYS  36          2HB       CCU  36  -6.533  -0.999  -0.765
  217   2HB   CYS  36          1HB       CCU  36  -6.370  -2.462  -1.730
  218    HA   PRO  37           HA       PRO  37  -4.548  -2.008  -6.407
  219   1HB   PRO  37          2HB       PRO  37  -3.097   0.007  -7.551
  220   2HB   PRO  37          1HB       PRO  37  -4.864  -0.092  -7.678
  221   1HG   PRO  37          2HG       PRO  37  -3.195   1.711  -6.061
  222   2HG   PRO  37          1HG       PRO  37  -4.836   1.935  -6.675
  223   1HD   PRO  37          2HD       PRO  37  -4.083   1.232  -4.041
  224   2HD   PRO  37          1HD       PRO  37  -5.726   1.265  -4.715
  225    H    CYS  38           HN       CCU  38  -3.267  -2.573  -4.033
  226    HA   CYS  38           HA       CCU  38  -0.404  -1.915  -4.281
  227   1HB   CYS  38          2HB       CCU  38  -2.173  -2.093  -2.308
  228   2HB   CYS  38          1HB       CCU  38  -1.562  -3.727  -2.251
  229    H    GLY  39           H        GLY  39  -2.173  -3.813  -5.783
  230   1HA   GLY  39          2HA       GLY  39  -0.586  -6.324  -5.527
  231   2HA   GLY  39          1HA       GLY  39  -2.169  -6.222  -6.296
  232    H    ASN  40           HN       ASN  40  -1.335  -3.697  -7.708
  233    HA   ASN  40           HA       ASN  40  -0.049  -5.038 -10.010
  234   1HB   ASN  40          2HB       ASN  40  -1.932  -2.940  -9.515
  235   2HB   ASN  40          1HB       ASN  40  -0.582  -2.257 -10.423
  236   1HD2  ASN  40          2HD2      ASN  40  -2.402  -3.503 -13.239
  237   2HD2  ASN  40          1HD2      ASN  40  -2.069  -2.111 -12.325
   
  Start of MODEL    5
    1   1H    GLN   1          3H        GLN   1   6.682   1.171  -9.299
    2   2H    GLN   1          2H        GLN   1   6.316   0.244 -10.676
    3   3H    GLN   1          1H        GLN   1   5.748  -0.237  -9.148
    4    HA   GLN   1           HA       GLN   1   7.819  -0.970  -8.441
    5   1HB   GLN   1          2HB       GLN   1   7.096  -1.444 -11.300
    6   2HB   GLN   1          1HB       GLN   1   8.657  -2.057 -10.753
    7   1HG   GLN   1          2HG       GLN   1   7.695  -3.513  -9.204
    8   2HG   GLN   1          1HG       GLN   1   6.209  -2.569  -9.090
    9   1HE2  GLN   1          2HE2      GLN   1   5.386  -5.546 -11.148
   10   2HE2  GLN   1          1HE2      GLN   1   5.829  -5.253  -9.535
   11    H    ASN   2           H        ASN   2   8.487   1.634  -8.427
   12    HA   ASN   2           HA       ASN   2  11.189   1.652  -9.646
   13   1HB   ASN   2          2HB       ASN   2   9.124   3.822 -10.141
   14   2HB   ASN   2          1HB       ASN   2  10.759   3.764 -10.800
   15   1HD2  ASN   2          2HD2      ASN   2   7.806   1.776 -12.686
   16   2HD2  ASN   2          1HD2      ASN   2   7.509   2.824 -11.382
   17    H    GLU   3           H        GLU   3   8.753   3.390  -7.708
   18    HA   GLU   3           HA       GLU   3  10.835   4.017  -5.691
   19   1HB   GLU   3          2HB       GLU   3   9.612   5.893  -7.628
   20   2HB   GLU   3          1HB       GLU   3   9.639   6.461  -5.958
   21   1HG   GLU   3          2HG       GLU   3  12.050   6.058  -5.829
   22   2HG   GLU   3          1HG       GLU   3  12.048   5.405  -7.467
   23    H    GLY   4           H        GLY   4   9.772   3.143  -3.929
   24   1HA   GLY   4          2HA       GLY   4   6.871   3.214  -3.677
   25   2HA   GLY   4          1HA       GLY   4   8.004   2.633  -2.454
   26    H    HIS   5           H        HIS   5   6.264   3.956  -1.155
   27    HA   HIS   5           HA       HIS   5   7.469   6.643  -0.689
   28   1HB   HIS   5          2HB       HIS   5   4.801   7.160  -0.331
   29   2HB   HIS   5          1HB       HIS   5   5.676   7.512  -1.816
   30    HD1  HIS   5           HD1      HIS   5   2.932   5.459  -0.462
   31    HD2  HIS   5           HD2      HIS   5   5.349   5.404  -3.855
   32    HE1  HIS   5           HE1      HIS   5   1.796   3.930  -2.138
   33    H    GLU   6           H        GLU   6   4.461   5.325   0.582
   34    HA   GLU   6           HA       GLU   6   5.714   4.379   3.068
   35   1HB   GLU   6          2HB       GLU   6   4.557   7.075   2.694
   36   2HB   GLU   6          1HB       GLU   6   3.978   6.223   4.127
   37   1HG   GLU   6          2HG       GLU   6   6.517   5.682   4.501
   38   2HG   GLU   6          1HG       GLU   6   6.780   7.056   3.427
   39    H    CYS   7           HN       CNP   7   4.505   2.418   2.751
   40    HA   CYS   7           HA       CNP   7   1.619   2.633   2.379
   41   1HB   CYS   7          2HB       CNP   7   2.535   1.017   1.044
   42   2HB   CYS   7          1HB       CNP   7   3.679   0.454   2.201
   43    H    GLN   8           H        GLN   8   1.420   3.669   4.523
   44    HA   GLN   8           HA       GLN   8   1.810   1.945   6.874
   45   1HB   GLN   8          2HB       GLN   8   1.146   3.875   8.055
   46   2HB   GLN   8          1HB       GLN   8   1.810   4.597   6.592
   47   1HG   GLN   8          2HG       GLN   8  -1.117   4.055   7.179
   48   2HG   GLN   8          1HG       GLN   8  -0.339   5.633   7.052
   49   1HE2  GLN   8          2HE2      GLN   8  -1.617   3.784   3.703
   50   2HE2  GLN   8          1HE2      GLN   8  -1.951   3.181   5.254
   51    H    CYS   9           HN       CCU   9   0.047   1.581   4.246
   52    HA   CYS   9           HA       CCU   9  -2.641   1.558   4.600
   53   1HB   CYS   9          2HB       CCU   9  -0.782  -0.554   3.510
   54   2HB   CYS   9          1HB       CCU   9  -2.493  -0.452   3.192
   55    H    GLN  10           H        GLN  10  -4.029   0.684   5.875
   56    HA   GLN  10           HA       GLN  10  -3.223  -1.546   7.704
   57   1HB   GLN  10          2HB       GLN  10  -5.319   0.650   7.945
   58   2HB   GLN  10          1HB       GLN  10  -5.024  -0.595   9.159
   59   1HG   GLN  10          2HG       GLN  10  -2.711   0.202   9.433
   60   2HG   GLN  10          1HG       GLN  10  -2.984   1.436   8.203
   61   1HE2  GLN  10          2HE2      GLN  10  -3.653   3.366  11.188
   62   2HE2  GLN  10          1HE2      GLN  10  -2.377   2.885  10.176
   63    H    CYS  11           HN       CNP  11  -4.394  -1.272   4.830
   64    HA   CYS  11           HA       CNP  11  -7.063  -2.078   4.662
   65   1HB   CYS  11          2HB       CNP  11  -4.670  -2.961   3.026
   66   2HB   CYS  11          1HB       CNP  11  -6.325  -2.864   2.490
   67    H    GLY  12           H        GLY  12  -6.689  -4.585   3.221
   68   1HA   GLY  12          2HA       GLY  12  -6.420  -6.436   5.548
   69   2HA   GLY  12          1HA       GLY  12  -7.435  -6.750   4.137
   70    H    SER  13           H        SER  13  -5.192  -5.554   2.450
   71    HA   SER  13           HA       SER  13  -3.547  -8.047   2.336
   72   1HB   SER  13          2HB       SER  13  -4.761  -6.172   0.386
   73   2HB   SER  13          1HB       SER  13  -3.160  -6.770  -0.038
   74    HG   SER  13           HG       SER  13  -3.918  -8.799  -0.085
   75    H    CYS  14           HN       CCU  14  -3.372  -5.002   3.520
   76    HA   CYS  14           HA       CCU  14  -0.569  -4.525   2.744
   77   1HB   CYS  14          2HB       CCU  14  -2.924  -2.975   3.650
   78   2HB   CYS  14          1HB       CCU  14  -1.349  -2.370   4.094
   79    H    LYS  15           H        LYS  15  -2.713  -4.998   5.379
   80    HA   LYS  15           HA       LYS  15  -0.782  -4.657   7.523
   81   1HB   LYS  15          2HB       LYS  15  -3.593  -5.255   7.130
   82   2HB   LYS  15          1HB       LYS  15  -2.908  -6.309   8.367
   83   1HG   LYS  15          2HG       LYS  15  -1.883  -4.220   9.404
   84   2HG   LYS  15          1HG       LYS  15  -2.898  -3.286   8.305
   85   1HD   LYS  15          2HD       LYS  15  -4.351  -3.406  10.084
   86   2HD   LYS  15          1HD       LYS  15  -4.780  -4.924   9.293
   87   1HE   LYS  15          2HE       LYS  15  -3.760  -6.211  10.912
   88   2HE   LYS  15          1HE       LYS  15  -2.495  -5.004  11.217
   89   1HZ   LYS  15          2HZ       LYS  15  -4.562  -3.587  11.946
   90   2HZ   LYS  15          1HZ       LYS  15  -5.237  -5.117  12.244
   91   3HZ   LYS  15          3HZ       LYS  15  -3.810  -4.653  13.034
   92    H    ASN  16           H        ASN  16  -1.974  -7.404   5.633
   93    HA   ASN  16           HA       ASN  16  -0.449  -9.364   7.225
   94   1HB   ASN  16          2HB       ASN  16  -2.549 -10.092   6.376
   95   2HB   ASN  16          1HB       ASN  16  -2.234  -9.401   4.784
   96   1HD2  ASN  16          2HD2      ASN  16  -1.459 -12.812   3.990
   97   2HD2  ASN  16          1HD2      ASN  16  -2.694 -11.649   3.937
   98    H    ASN  17           H        ASN  17  -0.533  -8.859   3.686
   99    HA   ASN  17           HA       ASN  17   2.100  -9.857   3.218
  100   1HB   ASN  17          2HB       ASN  17  -0.125  -8.821   1.791
  101   2HB   ASN  17          1HB       ASN  17   1.279  -7.883   1.281
  102   1HD2  ASN  17          2HD2      ASN  17   1.290 -11.942   0.583
  103   2HD2  ASN  17          1HD2      ASN  17   0.374 -11.329   1.873
  104    H    GLU  18           H        GLU  18   3.733  -8.870   4.436
  105    HA   GLU  18           HA       GLU  18   3.870  -5.932   4.625
  106   1HB   GLU  18          2HB       GLU  18   5.236  -8.319   5.822
  107   2HB   GLU  18          1HB       GLU  18   6.028  -6.745   5.925
  108   1HG   GLU  18          2HG       GLU  18   4.430  -5.876   7.332
  109   2HG   GLU  18          1HG       GLU  18   3.137  -6.856   6.637
  110    H    GLN  19           H        GLN  19   4.564  -7.910   2.186
  111    HA   GLN  19           HA       GLN  19   7.328  -7.097   1.633
  112   1HB   GLN  19          2HB       GLN  19   5.522  -9.131   0.856
  113   2HB   GLN  19          1HB       GLN  19   5.902  -8.223  -0.609
  114   1HG   GLN  19          2HG       GLN  19   8.372  -8.394   0.218
  115   2HG   GLN  19          1HG       GLN  19   7.769  -9.710   1.224
  116   1HE2  GLN  19          2HE2      GLN  19   8.809 -10.881  -2.280
  117   2HE2  GLN  19          1HE2      GLN  19   9.584  -9.817  -1.208
  118    H    CYS  20           HN       CCU  20   4.483  -5.476   1.498
  119    HA   CYS  20           HA       CCU  20   5.409  -3.816  -0.803
  120   1HB   CYS  20          2HB       CCU  20   3.113  -3.644  -1.470
  121   2HB   CYS  20          1HB       CCU  20   3.438  -5.346  -1.224
  122    H    GLN  21           H        GLN  21   5.493  -3.688   2.338
  123    HA   GLN  21           HA       GLN  21   3.898  -1.263   2.859
  124   1HB   GLN  21          2HB       GLN  21   5.954  -2.572   4.648
  125   2HB   GLN  21          1HB       GLN  21   4.531  -1.646   5.126
  126   1HG   GLN  21          2HG       GLN  21   4.522  -4.362   3.776
  127   2HG   GLN  21          1HG       GLN  21   4.113  -4.034   5.459
  128   1HE2  GLN  21          2HE2      GLN  21   1.091  -2.158   4.367
  129   2HE2  GLN  21          1HE2      GLN  21   2.467  -1.808   5.296
  130    H    LYS  22           H        LYS  22   6.691  -1.776   1.269
  131    HA   LYS  22           HA       LYS  22   7.798   0.888   2.060
  132   1HB   LYS  22          2HB       LYS  22   9.079  -1.817   1.898
  133   2HB   LYS  22          1HB       LYS  22  10.050  -0.410   1.457
  134   1HG   LYS  22          2HG       LYS  22   9.310   0.636   3.658
  135   2HG   LYS  22          1HG       LYS  22   8.669  -0.948   4.095
  136   1HD   LYS  22          2HD       LYS  22  10.790  -1.934   4.160
  137   2HD   LYS  22          1HD       LYS  22  11.507  -0.690   3.135
  138   1HE   LYS  22          2HE       LYS  22  12.140   0.459   4.980
  139   2HE   LYS  22          1HE       LYS  22  10.443   0.575   5.488
  140   1HZ   LYS  22          2HZ       LYS  22  12.211  -1.779   5.905
  141   2HZ   LYS  22          1HZ       LYS  22  11.760  -0.668   7.107
  142   3HZ   LYS  22          3HZ       LYS  22  10.586  -1.659   6.388
  143    H    SER  23           H        SER  23   6.345  -0.799  -0.283
  144    HA   SER  23           HA       SER  23   7.360   0.912  -2.440
  145   1HB   SER  23          2HB       SER  23   8.151  -1.907  -2.035
  146   2HB   SER  23          1HB       SER  23   7.590  -1.536  -3.662
  147    HG   SER  23           HG       SER  23   9.623  -0.199  -2.193
  148    H    CYS  24           HN       CNP  24   4.823   0.626  -1.152
  149    HA   CYS  24           HA       CNP  24   3.074  -1.089  -2.721
  150   1HB   CYS  24          2HB       CNP  24   1.729  -0.530  -0.912
  151   2HB   CYS  24          1HB       CNP  24   3.199   0.084  -0.270
  152    H    SER  25           H        SER  25   1.669  -0.302  -4.438
  153    HA   SER  25           HA       SER  25   2.581   2.272  -5.631
  154   1HB   SER  25          2HB       SER  25   1.409   1.327  -7.632
  155   2HB   SER  25          1HB       SER  25   2.632   0.239  -6.983
  156    HG   SER  25           HG       SER  25   0.371  -0.567  -7.475
  157    H    CYS  26           HN       CCU  26   1.001   2.872  -3.464
  158    HA   CYS  26           HA       CCU  26  -1.650   3.545  -4.687
  159   1HB   CYS  26          2HB       CCU  26  -0.932   3.134  -1.775
  160   2HB   CYS  26          1HB       CCU  26  -2.542   3.262  -2.470
  161    HA   PRO  27           HA       PRO  27  -0.469   7.730  -3.881
  162   1HB   PRO  27          2HB       PRO  27  -2.910   8.881  -4.282
  163   2HB   PRO  27          1HB       PRO  27  -1.914   8.264  -5.613
  164   1HG   PRO  27          2HG       PRO  27  -4.326   7.099  -4.365
  165   2HG   PRO  27          1HG       PRO  27  -3.738   6.972  -6.027
  166   1HD   PRO  27          2HD       PRO  27  -3.493   5.019  -4.045
  167   2HD   PRO  27          1HD       PRO  27  -2.594   5.073  -5.575
  168    H    THR  28           H        THR  28  -1.901   9.668  -2.614
  169    HA   THR  28           HA       THR  28  -2.116   8.604   0.137
  170    HB   THR  28           HB       THR  28  -0.822  10.630  -0.229
  171    HG1  THR  28           HG1      THR  28  -1.888  11.976   1.182
  172   1HG2  THR  28          3HG2      THR  28  -3.165  11.310  -1.917
  173   2HG2  THR  28          2HG2      THR  28  -2.430  12.650  -1.038
  174   3HG2  THR  28          1HG2      THR  28  -1.459  11.688  -2.153
  175    H    GLY  29           H        GLY  29  -4.106   7.662  -1.481
  176   1HA   GLY  29          2HA       GLY  29  -6.499   8.869  -0.204
  177   2HA   GLY  29          1HA       GLY  29  -6.526   8.581  -1.951
  178    H    CYS  30           HN       CCU  30  -4.588   6.423  -0.146
  179    HA   CYS  30           HA       CCU  30  -6.450   4.199  -0.766
  180   1HB   CYS  30          2HB       CCU  30  -3.896   4.426  -1.147
  181   2HB   CYS  30          1HB       CCU  30  -3.754   4.020   0.558
  182    H    ASN  31           H        ASN  31  -7.895   5.233   0.989
  183    HA   ASN  31           HA       ASN  31  -7.098   4.307   3.724
  184   1HB   ASN  31          2HB       ASN  31  -8.780   6.500   2.578
  185   2HB   ASN  31          1HB       ASN  31  -9.223   5.868   4.164
  186   1HD2  ASN  31          2HD2      ASN  31  -5.982   8.262   3.806
  187   2HD2  ASN  31          1HD2      ASN  31  -6.980   7.906   2.479
  188    H    SER  32           H        SER  32  -8.508   2.878   1.271
  189    HA   SER  32           HA       SER  32 -10.765   1.757   2.906
  190   1HB   SER  32          2HB       SER  32 -10.613   2.913   0.207
  191   2HB   SER  32          1HB       SER  32 -11.418   1.347   0.248
  192    HG   SER  32           HG       SER  32 -12.570   3.520   0.770
  193    H    ASP  33           H        ASP  33 -11.137  -0.539   2.594
  194    HA   ASP  33           HA       ASP  33  -8.690  -2.017   1.850
  195   1HB   ASP  33          2HB       ASP  33  -9.981  -3.908   2.863
  196   2HB   ASP  33          1HB       ASP  33  -9.854  -2.516   3.939
  197    H    ASP  34           H        ASP  34 -11.223  -0.871   0.142
  198    HA   ASP  34           HA       ASP  34 -11.106  -3.157  -1.779
  199   1HB   ASP  34          2HB       ASP  34 -13.261  -3.174  -0.611
  200   2HB   ASP  34          1HB       ASP  34 -13.483  -1.456  -0.944
  201    H    LYS  35           H        LYS  35  -9.496  -0.895  -1.713
  202    HA   LYS  35           HA       LYS  35  -9.892   0.109  -4.419
  203   1HB   LYS  35          2HB       LYS  35 -10.957   1.527  -2.191
  204   2HB   LYS  35          1HB       LYS  35  -9.525   2.417  -2.711
  205   1HG   LYS  35          2HG       LYS  35 -10.826   1.703  -5.090
  206   2HG   LYS  35          1HG       LYS  35 -12.120   2.207  -4.002
  207   1HD   LYS  35          2HD       LYS  35 -11.073   4.337  -3.611
  208   2HD   LYS  35          1HD       LYS  35  -9.601   3.828  -4.440
  209   1HE   LYS  35          2HE       LYS  35 -10.456   4.416  -6.455
  210   2HE   LYS  35          1HE       LYS  35 -11.946   3.502  -6.148
  211   1HZ   LYS  35          2HZ       LYS  35 -12.383   5.412  -4.465
  212   2HZ   LYS  35          1HZ       LYS  35 -11.300   6.284  -5.441
  213   3HZ   LYS  35          3HZ       LYS  35 -12.723   5.653  -6.112
  214    H    CYS  36           HN       CCU  36  -8.059  -1.477  -2.999
  215    HA   CYS  36           HA       CCU  36  -5.630   0.257  -2.742
  216   1HB   CYS  36          2HB       CCU  36  -6.419  -1.163  -0.842
  217   2HB   CYS  36          1HB       CCU  36  -6.178  -2.588  -1.848
  218    HA   PRO  37           HA       PRO  37  -4.702  -1.987  -6.604
  219   1HB   PRO  37          2HB       PRO  37  -3.560   0.144  -7.877
  220   2HB   PRO  37          1HB       PRO  37  -5.313  -0.131  -7.864
  221   1HG   PRO  37          2HG       PRO  37  -3.705   1.839  -6.376
  222   2HG   PRO  37          1HG       PRO  37  -5.394   1.914  -6.893
  223   1HD   PRO  37          2HD       PRO  37  -4.449   1.334  -4.304
  224   2HD   PRO  37          1HD       PRO  37  -6.114   1.160  -4.895
  225    H    CYS  38           HN       CCU  38  -3.197  -2.226  -4.244
  226    HA   CYS  38           HA       CCU  38  -0.523  -1.194  -4.403
  227   1HB   CYS  38          2HB       CCU  38  -2.086  -2.300  -2.549
  228   2HB   CYS  38          1HB       CCU  38  -1.238  -3.753  -3.050
  229    H    GLY  39           H        GLY  39   1.053  -3.413  -4.031
  230   1HA   GLY  39          2HA       GLY  39   1.601  -4.242  -6.733
  231   2HA   GLY  39          1HA       GLY  39   2.388  -4.883  -5.291
  232    H    ASN  40           HN       ASN  40  -0.676  -5.343  -4.482
  233    HA   ASN  40           HA       ASN  40  -0.644  -8.176  -5.135
  234   1HB   ASN  40          2HB       ASN  40  -2.846  -6.408  -4.021
  235   2HB   ASN  40          1HB       ASN  40  -2.730  -8.161  -3.859
  236   1HD2  ASN  40          2HD2      ASN  40  -1.119  -6.109  -0.961
  237   2HD2  ASN  40          1HD2      ASN  40  -2.491  -5.708  -1.874
   
  Start of MODEL    6
    1   1H    GLN   1          3H        GLN   1   4.826   1.210 -10.095
    2   2H    GLN   1          2H        GLN   1   4.538   0.992 -11.756
    3   3H    GLN   1          1H        GLN   1   3.648   0.104 -10.612
    4    HA   GLN   1           HA       GLN   1   5.260  -1.431 -10.332
    5   1HB   GLN   1          2HB       GLN   1   4.894  -0.592 -12.892
    6   2HB   GLN   1          1HB       GLN   1   6.638  -0.367 -12.739
    7   1HG   GLN   1          2HG       GLN   1   7.008  -2.651 -12.250
    8   2HG   GLN   1          1HG       GLN   1   5.309  -2.932 -11.869
    9   1HE2  GLN   1          2HE2      GLN   1   5.309  -4.311 -15.183
   10   2HE2  GLN   1          1HE2      GLN   1   5.459  -4.718 -13.542
   11    H    ASN   2           H        ASN   2   6.962   1.511 -11.491
   12    HA   ASN   2           HA       ASN   2   9.140   0.892  -9.524
   13   1HB   ASN   2          2HB       ASN   2   9.485   0.878 -12.101
   14   2HB   ASN   2          1HB       ASN   2   9.374   2.634 -11.976
   15   1HD2  ASN   2          2HD2      ASN   2  12.970   1.776 -11.588
   16   2HD2  ASN   2          1HD2      ASN   2  11.814   1.660 -12.826
   17    H    GLU   3           H        GLU   3   6.923   2.251  -8.537
   18    HA   GLU   3           HA       GLU   3   8.094   4.930  -7.990
   19   1HB   GLU   3          2HB       GLU   3   5.612   4.283  -9.492
   20   2HB   GLU   3          1HB       GLU   3   5.476   5.583  -8.306
   21   1HG   GLU   3          2HG       GLU   3   7.793   5.536 -10.223
   22   2HG   GLU   3          1HG       GLU   3   6.231   6.170 -10.742
   23    H    GLY   4           H        GLY   4   7.633   2.369  -6.475
   24   1HA   GLY   4          2HA       GLY   4   5.416   2.728  -4.682
   25   2HA   GLY   4          1HA       GLY   4   6.813   1.694  -4.379
   26    H    HIS   5           H        HIS   5   5.918   3.002  -2.196
   27    HA   HIS   5           HA       HIS   5   8.137   4.859  -1.630
   28   1HB   HIS   5          2HB       HIS   5   6.187   6.453  -0.710
   29   2HB   HIS   5          1HB       HIS   5   6.760   6.565  -2.370
   30    HD1  HIS   5           HD1      HIS   5   4.376   3.986  -0.868
   31    HD2  HIS   5           HD2      HIS   5   4.420   6.953  -3.788
   32    HE1  HIS   5           HE1      HIS   5   2.144   3.862  -2.052
   33    H    GLU   6           H        GLU   6   5.255   5.147   0.265
   34    HA   GLU   6           HA       GLU   6   6.330   3.152   2.225
   35   1HB   GLU   6          2HB       GLU   6   5.886   4.824   3.978
   36   2HB   GLU   6          1HB       GLU   6   6.977   5.493   2.765
   37   1HG   GLU   6          2HG       GLU   6   4.717   6.288   1.639
   38   2HG   GLU   6          1HG       GLU   6   4.097   6.135   3.283
   39    H    CYS   7           HN       CNP   7   4.650   1.616   1.961
   40    HA   CYS   7           HA       CNP   7   1.900   2.363   1.711
   41   1HB   CYS   7          2HB       CNP   7   2.292   0.351   0.724
   42   2HB   CYS   7          1HB       CNP   7   3.589  -0.079   1.751
   43    H    GLN   8           H        GLN   8   1.455   3.611   3.539
   44    HA   GLN   8           HA       GLN   8   1.850   2.438   6.214
   45   1HB   GLN   8          2HB       GLN   8   0.484   4.542   6.830
   46   2HB   GLN   8          1HB       GLN   8   2.053   4.832   6.093
   47   1HG   GLN   8          2HG       GLN   8   0.263   6.278   5.143
   48   2HG   GLN   8          1HG       GLN   8   1.002   5.252   3.923
   49   1HE2  GLN   8          2HE2      GLN   8  -1.981   3.393   3.324
   50   2HE2  GLN   8          1HE2      GLN   8  -0.308   3.469   3.052
   51    H    CYS   9           HN       CCU   9   0.165   1.390   3.786
   52    HA   CYS   9           HA       CCU   9  -2.584   1.549   4.305
   53   1HB   CYS   9          2HB       CCU   9  -0.897  -0.728   3.270
   54   2HB   CYS   9          1HB       CCU   9  -2.595  -0.478   2.994
   55    H    GLN  10           H        GLN  10  -3.850   0.758   5.745
   56    HA   GLN  10           HA       GLN  10  -2.901  -1.395   7.599
   57   1HB   GLN  10          2HB       GLN  10  -4.446  -0.288   9.229
   58   2HB   GLN  10          1HB       GLN  10  -3.187   0.815   8.675
   59   1HG   GLN  10          2HG       GLN  10  -4.691   1.884   7.131
   60   2HG   GLN  10          1HG       GLN  10  -5.931   0.658   7.403
   61   1HE2  GLN  10          2HE2      GLN  10  -5.599   3.780   9.972
   62   2HE2  GLN  10          1HE2      GLN  10  -4.568   3.629   8.631
   63    H    CYS  11           HN       CNP  11  -4.432  -1.144   4.890
   64    HA   CYS  11           HA       CNP  11  -7.140  -1.800   5.136
   65   1HB   CYS  11          2HB       CNP  11  -5.106  -2.873   3.164
   66   2HB   CYS  11          1HB       CNP  11  -6.806  -2.611   2.897
   67    H    GLY  12           H        GLY  12  -7.118  -4.367   3.741
   68   1HA   GLY  12          2HA       GLY  12  -6.572  -6.154   6.071
   69   2HA   GLY  12          1HA       GLY  12  -7.806  -6.462   4.845
   70    H    SER  13           H        SER  13  -5.792  -5.430   2.795
   71    HA   SER  13           HA       SER  13  -4.341  -8.020   2.486
   72   1HB   SER  13          2HB       SER  13  -5.206  -5.846   0.560
   73   2HB   SER  13          1HB       SER  13  -4.235  -7.235   0.079
   74    HG   SER  13           HG       SER  13  -6.598  -7.650   1.529
   75    H    CYS  14           HN       CCU  14  -3.790  -5.004   3.640
   76    HA   CYS  14           HA       CCU  14  -1.065  -4.748   2.540
   77   1HB   CYS  14          2HB       CCU  14  -3.177  -3.015   3.677
   78   2HB   CYS  14          1HB       CCU  14  -1.519  -2.538   3.934
   79    H    LYS  15           H        LYS  15  -2.938  -5.075   5.379
   80    HA   LYS  15           HA       LYS  15  -0.819  -4.823   7.338
   81   1HB   LYS  15          2HB       LYS  15  -2.591  -5.870   8.805
   82   2HB   LYS  15          1HB       LYS  15  -3.157  -4.468   7.897
   83   1HG   LYS  15          2HG       LYS  15  -4.383  -5.776   6.388
   84   2HG   LYS  15          1HG       LYS  15  -3.445  -7.228   6.738
   85   1HD   LYS  15          2HD       LYS  15  -4.698  -6.267   9.156
   86   2HD   LYS  15          1HD       LYS  15  -5.911  -6.472   7.891
   87   1HE   LYS  15          2HE       LYS  15  -4.420  -8.747   7.550
   88   2HE   LYS  15          1HE       LYS  15  -4.324  -8.523   9.308
   89   1HZ   LYS  15          1HZ       LYS  15  -6.866  -7.887   8.869
   90   2HZ   LYS  15          3HZ       LYS  15  -6.650  -9.029   7.633
   91   3HZ   LYS  15          2HZ       LYS  15  -6.361  -9.464   9.251
   92    H    ASN  16           H        ASN  16  -2.039  -7.448   5.361
   93    HA   ASN  16           HA       ASN  16  -0.688  -9.545   6.929
   94   1HB   ASN  16          2HB       ASN  16  -2.904  -9.499   5.432
   95   2HB   ASN  16          1HB       ASN  16  -1.759  -9.927   4.160
   96   1HD2  ASN  16          2HD2      ASN  16  -3.062 -12.905   6.323
   97   2HD2  ASN  16          1HD2      ASN  16  -3.903 -11.490   5.909
   98    H    ASN  17           H        ASN  17  -0.438  -8.408   3.531
   99    HA   ASN  17           HA       ASN  17   2.211  -9.631   3.223
  100   1HB   ASN  17          2HB       ASN  17   0.187  -8.163   1.592
  101   2HB   ASN  17          1HB       ASN  17   1.852  -8.144   1.010
  102   1HD2  ASN  17          2HD2      ASN  17   1.857 -11.570   0.093
  103   2HD2  ASN  17          1HD2      ASN  17   2.791 -10.168   0.300
  104    H    GLU  18           H        GLU  18   3.712  -8.546   4.536
  105    HA   GLU  18           HA       GLU  18   3.803  -5.596   4.563
  106   1HB   GLU  18          2HB       GLU  18   5.019  -7.899   6.035
  107   2HB   GLU  18          1HB       GLU  18   5.888  -6.364   6.053
  108   1HG   GLU  18          2HG       GLU  18   3.183  -5.711   6.509
  109   2HG   GLU  18          1HG       GLU  18   3.511  -7.120   7.518
  110    H    GLN  19           H        GLN  19   4.695  -7.702   2.305
  111    HA   GLN  19           HA       GLN  19   7.501  -7.006   1.929
  112   1HB   GLN  19          2HB       GLN  19   5.439  -8.733   0.766
  113   2HB   GLN  19          1HB       GLN  19   6.527  -8.051  -0.444
  114   1HG   GLN  19          2HG       GLN  19   8.261  -9.331   0.243
  115   2HG   GLN  19          1HG       GLN  19   7.943  -8.982   1.942
  116   1HE2  GLN  19          2HE2      GLN  19   5.680 -12.038   0.363
  117   2HE2  GLN  19          1HE2      GLN  19   5.878 -10.608  -0.530
  118    H    CYS  20           HN       CCU  20   4.716  -5.290   1.517
  119    HA   CYS  20           HA       CCU  20   5.945  -3.589  -0.616
  120   1HB   CYS  20          2HB       CCU  20   3.610  -3.214  -1.361
  121   2HB   CYS  20          1HB       CCU  20   4.055  -4.907  -1.471
  122    H    GLN  21           H        GLN  21   5.670  -3.553   2.513
  123    HA   GLN  21           HA       GLN  21   3.984  -1.228   3.044
  124   1HB   GLN  21          2HB       GLN  21   6.044  -2.797   4.621
  125   2HB   GLN  21          1HB       GLN  21   5.089  -1.486   5.314
  126   1HG   GLN  21          2HG       GLN  21   3.631  -3.642   3.847
  127   2HG   GLN  21          1HG       GLN  21   4.267  -4.020   5.449
  128   1HE2  GLN  21          2HE2      GLN  21   0.860  -1.998   5.256
  129   2HE2  GLN  21          1HE2      GLN  21   1.491  -2.959   4.007
  130    H    LYS  22           H        LYS  22   6.719  -1.303   1.324
  131    HA   LYS  22           HA       LYS  22   7.549   1.401   2.248
  132   1HB   LYS  22          2HB       LYS  22   9.128  -1.143   2.264
  133   2HB   LYS  22          1HB       LYS  22   9.974   0.360   1.892
  134   1HG   LYS  22          2HG       LYS  22   9.855   1.083   4.034
  135   2HG   LYS  22          1HG       LYS  22   8.162   0.612   4.182
  136   1HD   LYS  22          2HD       LYS  22   9.034  -0.937   5.629
  137   2HD   LYS  22          1HD       LYS  22   9.292  -1.838   4.133
  138   1HE   LYS  22          2HE       LYS  22  11.457   0.067   4.704
  139   2HE   LYS  22          1HE       LYS  22  11.287  -1.197   5.938
  140   1HZ   LYS  22          1HZ       LYS  22  11.030  -1.962   3.121
  141   2HZ   LYS  22          3HZ       LYS  22  12.589  -1.654   3.714
  142   3HZ   LYS  22          2HZ       LYS  22  11.632  -2.858   4.434
  143    H    SER  23           H        SER  23   6.432  -0.293  -0.236
  144    HA   SER  23           HA       SER  23   7.684   1.460  -2.241
  145   1HB   SER  23          2HB       SER  23   8.334  -0.683  -3.562
  146   2HB   SER  23          1HB       SER  23   9.369  -0.202  -2.221
  147    HG   SER  23           HG       SER  23   7.180  -1.881  -1.726
  148    H    CYS  24           HN       CNP  24   4.956   0.737  -1.155
  149    HA   CYS  24           HA       CNP  24   3.585  -0.751  -3.238
  150   1HB   CYS  24          2HB       CNP  24   1.962  -0.674  -1.602
  151   2HB   CYS  24          1HB       CNP  24   3.303  -0.199  -0.624
  152    H    SER  25           H        SER  25   1.949   0.295  -4.687
  153    HA   SER  25           HA       SER  25   2.775   3.074  -5.422
  154   1HB   SER  25          2HB       SER  25   2.734   0.894  -6.923
  155   2HB   SER  25          1HB       SER  25   1.027   1.297  -7.090
  156    HG   SER  25           HG       SER  25   2.930   3.327  -7.396
  157    H    CYS  26           HN       CCU  26   1.021   2.953  -3.203
  158    HA   CYS  26           HA       CCU  26  -1.653   3.638  -4.347
  159   1HB   CYS  26          2HB       CCU  26  -0.746   3.067  -1.508
  160   2HB   CYS  26          1HB       CCU  26  -2.413   3.253  -2.046
  161    HA   PRO  27           HA       PRO  27  -0.735   7.850  -3.324
  162   1HB   PRO  27          2HB       PRO  27  -3.222   8.868  -3.813
  163   2HB   PRO  27          1HB       PRO  27  -2.113   8.381  -5.110
  164   1HG   PRO  27          2HG       PRO  27  -4.531   7.035  -4.098
  165   2HG   PRO  27          1HG       PRO  27  -3.789   6.975  -5.701
  166   1HD   PRO  27          2HD       PRO  27  -3.603   5.017  -3.686
  167   2HD   PRO  27          1HD       PRO  27  -2.656   5.092  -5.187
  168    H    THR  28           H        THR  28  -2.334   9.637  -2.045
  169    HA   THR  28           HA       THR  28  -2.649   8.420   0.632
  170    HB   THR  28           HB       THR  28  -1.473  10.627   0.102
  171    HG1  THR  28           HG1      THR  28  -2.581  11.704   1.884
  172   1HG2  THR  28          3HG2      THR  28  -3.636  11.157  -1.416
  173   2HG2  THR  28          2HG2      THR  28  -4.127  11.962   0.074
  174   3HG2  THR  28          1HG2      THR  28  -2.624  12.424  -0.726
  175    H    GLY  29           H        GLY  29  -4.485   7.458  -1.152
  176   1HA   GLY  29          2HA       GLY  29  -7.016   8.500   0.007
  177   2HA   GLY  29          1HA       GLY  29  -6.914   8.246  -1.742
  178    H    CYS  30           HN       CCU  30  -5.020   6.166   0.219
  179    HA   CYS  30           HA       CCU  30  -6.756   3.870  -0.542
  180   1HB   CYS  30          2HB       CCU  30  -4.153   4.309  -0.820
  181   2HB   CYS  30          1HB       CCU  30  -4.099   3.671   0.818
  182    H    ASN  31           H        ASN  31  -7.977   5.285   1.432
  183    HA   ASN  31           HA       ASN  31  -7.227   4.135   4.067
  184   1HB   ASN  31          2HB       ASN  31  -8.103   6.577   3.267
  185   2HB   ASN  31          1HB       ASN  31  -9.641   5.828   3.699
  186   1HD2  ASN  31          2HD2      ASN  31  -8.608   7.188   6.903
  187   2HD2  ASN  31          1HD2      ASN  31  -9.386   7.653   5.468
  188    H    SER  32           H        SER  32  -9.127   3.222   1.446
  189    HA   SER  32           HA       SER  32 -11.254   1.960   3.108
  190   1HB   SER  32          2HB       SER  32 -10.960   1.874   0.107
  191   2HB   SER  32          1HB       SER  32 -12.436   1.797   1.064
  192    HG   SER  32           HG       SER  32 -11.072   3.950   0.127
  193    H    ASP  33           H        ASP  33 -11.692  -0.210   1.227
  194    HA   ASP  33           HA       ASP  33  -9.201  -1.837   1.517
  195   1HB   ASP  33          2HB       ASP  33 -10.997  -2.014   3.401
  196   2HB   ASP  33          1HB       ASP  33 -11.938  -2.903   2.200
  197    H    ASP  34           H        ASP  34 -11.415  -0.666  -0.569
  198    HA   ASP  34           HA       ASP  34 -11.154  -3.045  -2.355
  199   1HB   ASP  34          2HB       ASP  34 -13.500  -2.427  -3.155
  200   2HB   ASP  34          1HB       ASP  34 -13.419  -3.055  -1.508
  201    H    LYS  35           H        LYS  35  -9.535  -0.785  -2.221
  202    HA   LYS  35           HA       LYS  35  -9.615   0.075  -5.001
  203   1HB   LYS  35          2HB       LYS  35 -10.896   1.623  -2.967
  204   2HB   LYS  35          1HB       LYS  35  -9.427   2.485  -3.429
  205   1HG   LYS  35          2HG       LYS  35 -10.081   2.394  -5.787
  206   2HG   LYS  35          1HG       LYS  35 -11.519   1.460  -5.371
  207   1HD   LYS  35          2HD       LYS  35 -12.540   3.490  -5.291
  208   2HD   LYS  35          1HD       LYS  35 -11.782   3.614  -3.702
  209   1HE   LYS  35          2HE       LYS  35  -9.863   4.795  -4.666
  210   2HE   LYS  35          1HE       LYS  35 -10.539   4.602  -6.296
  211   1HZ   LYS  35          2HZ       LYS  35 -12.641   5.593  -5.005
  212   2HZ   LYS  35          1HZ       LYS  35 -11.395   6.354  -4.137
  213   3HZ   LYS  35          3HZ       LYS  35 -11.510   6.569  -5.814
  214    H    CYS  36           HN       CCU  36  -7.982  -1.426  -3.274
  215    HA   CYS  36           HA       CCU  36  -5.584   0.311  -2.832
  216   1HB   CYS  36          2HB       CCU  36  -6.612  -0.984  -0.963
  217   2HB   CYS  36          1HB       CCU  36  -6.281  -2.471  -1.849
  218    HA   PRO  37           HA       PRO  37  -4.181  -2.128  -6.401
  219   1HB   PRO  37          2HB       PRO  37  -2.739  -0.110  -7.542
  220   2HB   PRO  37          1HB       PRO  37  -4.488  -0.287  -7.779
  221   1HG   PRO  37          2HG       PRO  37  -3.001   1.643  -6.124
  222   2HG   PRO  37          1HG       PRO  37  -4.590   1.791  -6.884
  223   1HD   PRO  37          2HD       PRO  37  -4.059   1.242  -4.169
  224   2HD   PRO  37          1HD       PRO  37  -5.632   1.150  -4.988
  225    H    CYS  38           HN       CCU  38  -3.048  -2.386  -3.835
  226    HA   CYS  38           HA       CCU  38  -0.280  -1.535  -3.720
  227   1HB   CYS  38          2HB       CCU  38  -2.138  -2.304  -1.972
  228   2HB   CYS  38          1HB       CCU  38  -1.382  -3.866  -2.221
  229    H    GLY  39           H        GLY  39   1.028  -3.819  -2.939
  230   1HA   GLY  39          2HA       GLY  39   1.850  -4.975  -5.427
  231   2HA   GLY  39          1HA       GLY  39   2.299  -5.585  -3.833
  232    H    ASN  40           HN       ASN  40   0.105  -6.507  -2.690
  233    HA   ASN  40           HA       ASN  40  -0.742  -8.718  -4.471
  234   1HB   ASN  40          2HB       ASN  40   0.121  -9.055  -2.149
  235   2HB   ASN  40          1HB       ASN  40  -1.259  -8.147  -1.532
  236   1HD2  ASN  40          2HD2      ASN  40  -1.953 -11.906  -1.645
  237   2HD2  ASN  40          1HD2      ASN  40  -0.611 -11.038  -1.070
   
  Start of MODEL    7
    1   1H    GLN   1          2H        GLN   1  11.506   1.661 -13.023
    2   2H    GLN   1          1H        GLN   1  11.110   2.255 -14.565
    3   3H    GLN   1          3H        GLN   1  11.441   3.336 -13.301
    4    HA   GLN   1           HA       GLN   1   9.089   3.313 -13.541
    5   1HB   GLN   1          2HB       GLN   1   7.983   1.015 -13.481
    6   2HB   GLN   1          1HB       GLN   1   8.957   1.339 -14.916
    7   1HG   GLN   1          2HG       GLN   1  10.618  -0.132 -14.295
    8   2HG   GLN   1          1HG       GLN   1  10.332   0.109 -12.570
    9   1HE2  GLN   1          2HE2      GLN   1   8.839  -3.164 -14.131
   10   2HE2  GLN   1          1HE2      GLN   1  10.226  -2.334 -14.651
   11    H    ASN   2           H        ASN   2  10.812   3.701 -11.340
   12    HA   ASN   2           HA       ASN   2   9.928   2.021  -9.095
   13   1HB   ASN   2          2HB       ASN   2  12.097   3.665  -9.751
   14   2HB   ASN   2          1HB       ASN   2  11.266   4.536  -8.463
   15   1HD2  ASN   2          2HD2      ASN   2  12.199   2.235  -5.949
   16   2HD2  ASN   2          1HD2      ASN   2  11.342   3.649  -6.330
   17    H    GLU   3           H        GLU   3   7.952   2.386  -8.150
   18    HA   GLU   3           HA       GLU   3   7.045   5.222  -7.834
   19   1HB   GLU   3          2HB       GLU   3   5.619   2.836  -9.015
   20   2HB   GLU   3          1HB       GLU   3   4.718   4.204  -8.362
   21   1HG   GLU   3          2HG       GLU   3   6.434   5.583  -9.869
   22   2HG   GLU   3          1HG       GLU   3   6.472   4.070 -10.775
   23    H    GLY   4           H        GLY   4   8.024   2.630  -6.190
   24   1HA   GLY   4          2HA       GLY   4   5.792   2.377  -4.286
   25   2HA   GLY   4          1HA       GLY   4   7.348   1.551  -4.175
   26    H    HIS   5           H        HIS   5   6.149   2.873  -1.937
   27    HA   HIS   5           HA       HIS   5   8.344   4.734  -1.301
   28   1HB   HIS   5          2HB       HIS   5   6.361   6.366  -0.530
   29   2HB   HIS   5          1HB       HIS   5   7.034   6.435  -2.155
   30    HD1  HIS   5           HD1      HIS   5   4.479   3.980  -0.697
   31    HD2  HIS   5           HD2      HIS   5   4.831   6.768  -3.766
   32    HE1  HIS   5           HE1      HIS   5   2.317   3.887  -2.012
   33    H    GLU   6           H        GLU   6   5.362   5.102   0.424
   34    HA   GLU   6           HA       GLU   6   6.335   3.166   2.497
   35   1HB   GLU   6          2HB       GLU   6   6.306   6.003   2.550
   36   2HB   GLU   6          1HB       GLU   6   5.029   5.465   3.641
   37   1HG   GLU   6          2HG       GLU   6   6.511   4.655   5.147
   38   2HG   GLU   6          1HG       GLU   6   7.484   3.884   3.894
   39    H    CYS   7           HN       CNP   7   4.680   1.614   2.189
   40    HA   CYS   7           HA       CNP   7   1.919   2.395   1.888
   41   1HB   CYS   7          2HB       CNP   7   2.286   0.462   0.781
   42   2HB   CYS   7          1HB       CNP   7   3.594  -0.051   1.766
   43    H    GLN   8           H        GLN   8   1.499   3.539   3.824
   44    HA   GLN   8           HA       GLN   8   1.870   2.123   6.393
   45   1HB   GLN   8          2HB       GLN   8   1.882   4.755   5.679
   46   2HB   GLN   8          1HB       GLN   8   0.184   4.572   6.121
   47   1HG   GLN   8          2HG       GLN   8   1.640   5.265   8.045
   48   2HG   GLN   8          1HG       GLN   8   0.789   3.745   8.324
   49   1HE2  GLN   8          2HE2      GLN   8   3.752   1.820   8.520
   50   2HE2  GLN   8          1HE2      GLN   8   2.055   1.820   8.554
   51    H    CYS   9           HN       CCU   9   0.179   1.306   3.918
   52    HA   CYS   9           HA       CCU   9  -2.564   1.566   4.322
   53   1HB   CYS   9          2HB       CCU   9  -0.864  -0.732   3.354
   54   2HB   CYS   9          1HB       CCU   9  -2.579  -0.561   3.105
   55    H    GLN  10           H        GLN  10  -3.910   0.900   5.750
   56    HA   GLN  10           HA       GLN  10  -3.124  -1.215   7.719
   57   1HB   GLN  10          2HB       GLN  10  -4.396   1.454   7.883
   58   2HB   GLN  10          1HB       GLN  10  -5.217   0.204   8.819
   59   1HG   GLN  10          2HG       GLN  10  -2.793  -0.392   9.632
   60   2HG   GLN  10          1HG       GLN  10  -2.415   1.250   9.109
   61   1HE2  GLN  10          2HE2      GLN  10  -4.870   0.687  12.350
   62   2HE2  GLN  10          1HE2      GLN  10  -4.573  -0.604  11.289
   63    H    CYS  11           HN       CNP  11  -4.530  -1.068   4.934
   64    HA   CYS  11           HA       CNP  11  -7.262  -1.653   5.101
   65   1HB   CYS  11          2HB       CNP  11  -5.144  -2.826   3.285
   66   2HB   CYS  11          1HB       CNP  11  -6.835  -2.619   2.926
   67    H    GLY  12           H        GLY  12  -7.012  -4.315   3.752
   68   1HA   GLY  12          2HA       GLY  12  -6.674  -6.007   6.192
   69   2HA   GLY  12          1HA       GLY  12  -7.928  -6.306   4.983
   70    H    SER  13           H        SER  13  -5.736  -5.372   2.971
   71    HA   SER  13           HA       SER  13  -4.427  -8.052   2.759
   72   1HB   SER  13          2HB       SER  13  -5.787  -6.209   0.903
   73   2HB   SER  13          1HB       SER  13  -4.275  -6.864   0.280
   74    HG   SER  13           HG       SER  13  -5.114  -8.824   0.275
   75    H    CYS  14           HN       CCU  14  -3.799  -4.973   3.690
   76    HA   CYS  14           HA       CCU  14  -1.117  -4.804   2.488
   77   1HB   CYS  14          2HB       CCU  14  -3.138  -3.019   3.708
   78   2HB   CYS  14          1HB       CCU  14  -1.461  -2.572   3.905
   79    H    LYS  15           H        LYS  15  -2.832  -5.067   5.439
   80    HA   LYS  15           HA       LYS  15  -0.622  -4.797   7.276
   81   1HB   LYS  15          2HB       LYS  15  -3.459  -5.579   7.269
   82   2HB   LYS  15          1HB       LYS  15  -2.510  -6.392   8.515
   83   1HG   LYS  15          2HG       LYS  15  -1.618  -3.743   8.586
   84   2HG   LYS  15          1HG       LYS  15  -3.365  -3.612   8.377
   85   1HD   LYS  15          2HD       LYS  15  -1.947  -5.233  10.514
   86   2HD   LYS  15          1HD       LYS  15  -2.803  -3.710  10.766
   87   1HE   LYS  15          2HE       LYS  15  -4.847  -4.944   9.705
   88   2HE   LYS  15          1HE       LYS  15  -3.945  -6.421  10.103
   89   1HZ   LYS  15          1HZ       LYS  15  -4.350  -4.222  12.049
   90   2HZ   LYS  15          3HZ       LYS  15  -5.427  -5.526  11.920
   91   3HZ   LYS  15          2HZ       LYS  15  -3.808  -5.802  12.356
   92    H    ASN  16           H        ASN  16  -1.906  -7.484   5.404
   93    HA   ASN  16           HA       ASN  16  -0.196  -9.447   6.828
   94   1HB   ASN  16          2HB       ASN  16  -2.456  -9.444   4.868
   95   2HB   ASN  16          1HB       ASN  16  -1.387 -10.848   4.881
   96   1HD2  ASN  16          2HD2      ASN  16  -4.116 -10.439   7.807
   97   2HD2  ASN  16          1HD2      ASN  16  -4.087  -9.436   6.438
   98    H    ASN  17           H        ASN  17  -0.137  -7.423   4.032
   99    HA   ASN  17           HA       ASN  17   2.001  -9.061   2.739
  100   1HB   ASN  17          2HB       ASN  17  -0.131  -7.224   1.922
  101   2HB   ASN  17          1HB       ASN  17   1.412  -6.849   1.154
  102   1HD2  ASN  17          2HD2      ASN  17   0.489  -9.330  -1.217
  103   2HD2  ASN  17          1HD2      ASN  17   0.692  -7.668  -0.941
  104    H    GLU  18           H        GLU  18   3.621  -8.415   4.394
  105    HA   GLU  18           HA       GLU  18   4.291  -5.575   4.682
  106   1HB   GLU  18          2HB       GLU  18   6.095  -6.528   6.104
  107   2HB   GLU  18          1HB       GLU  18   4.515  -7.196   6.514
  108   1HG   GLU  18          2HG       GLU  18   4.991  -9.266   5.568
  109   2HG   GLU  18          1HG       GLU  18   6.198  -8.600   4.469
  110    H    GLN  19           H        GLN  19   4.698  -7.599   2.179
  111    HA   GLN  19           HA       GLN  19   7.523  -7.079   1.580
  112   1HB   GLN  19          2HB       GLN  19   5.395  -8.823   0.733
  113   2HB   GLN  19          1HB       GLN  19   6.095  -8.036  -0.681
  114   1HG   GLN  19          2HG       GLN  19   7.245 -10.182  -0.053
  115   2HG   GLN  19          1HG       GLN  19   8.319  -8.782  -0.069
  116   1HE2  GLN  19          2HE2      GLN  19   7.495 -10.659   3.467
  117   2HE2  GLN  19          1HE2      GLN  19   6.636 -11.069   2.062
  118    H    CYS  20           HN       CCU  20   4.822  -5.209   1.463
  119    HA   CYS  20           HA       CCU  20   5.952  -3.508  -0.701
  120   1HB   CYS  20          2HB       CCU  20   3.641  -3.210  -1.484
  121   2HB   CYS  20          1HB       CCU  20   4.091  -4.904  -1.543
  122    H    GLN  21           H        GLN  21   5.607  -3.591   2.441
  123    HA   GLN  21           HA       GLN  21   3.909  -1.283   3.000
  124   1HB   GLN  21          2HB       GLN  21   4.663  -1.679   5.278
  125   2HB   GLN  21          1HB       GLN  21   4.341  -3.236   4.513
  126   1HG   GLN  21          2HG       GLN  21   6.787  -3.374   3.936
  127   2HG   GLN  21          1HG       GLN  21   7.042  -1.926   4.908
  128   1HE2  GLN  21          2HE2      GLN  21   5.418  -4.555   7.460
  129   2HE2  GLN  21          1HE2      GLN  21   4.510  -3.723   6.296
  130    H    LYS  22           H        LYS  22   6.704  -1.357   1.379
  131    HA   LYS  22           HA       LYS  22   7.532   1.325   2.373
  132   1HB   LYS  22          2HB       LYS  22   9.906   0.513   2.326
  133   2HB   LYS  22          1HB       LYS  22   8.922  -0.312   3.535
  134   1HG   LYS  22          2HG       LYS  22   8.778  -2.281   2.262
  135   2HG   LYS  22          1HG       LYS  22   9.193  -1.452   0.761
  136   1HD   LYS  22          2HD       LYS  22  11.203  -1.430   2.975
  137   2HD   LYS  22          1HD       LYS  22  10.994  -2.924   2.059
  138   1HE   LYS  22          2HE       LYS  22  11.062  -1.000   0.063
  139   2HE   LYS  22          1HE       LYS  22  12.261  -0.411   1.231
  140   1HZ   LYS  22          2HZ       LYS  22  12.884  -2.923   1.339
  141   2HZ   LYS  22          1HZ       LYS  22  12.172  -2.976  -0.204
  142   3HZ   LYS  22          3HZ       LYS  22  13.495  -1.954   0.084
  143    H    SER  23           H        SER  23   6.427  -0.328  -0.149
  144    HA   SER  23           HA       SER  23   7.670   1.466  -2.121
  145   1HB   SER  23          2HB       SER  23   8.466  -1.340  -1.684
  146   2HB   SER  23          1HB       SER  23   8.095  -0.955  -3.362
  147    HG   SER  23           HG       SER  23  10.296  -0.420  -2.063
  148    H    CYS  24           HN       CNP  24   4.939   0.788  -1.084
  149    HA   CYS  24           HA       CNP  24   3.581  -0.725  -3.153
  150   1HB   CYS  24          2HB       CNP  24   1.939  -0.620  -1.538
  151   2HB   CYS  24          1HB       CNP  24   3.267  -0.132  -0.554
  152    H    SER  25           H        SER  25   1.875   0.326  -4.542
  153    HA   SER  25           HA       SER  25   2.760   3.067  -5.374
  154   1HB   SER  25          2HB       SER  25   1.224   2.077  -7.404
  155   2HB   SER  25          1HB       SER  25   2.961   1.818  -7.278
  156    HG   SER  25           HG       SER  25   0.828   0.113  -6.576
  157    H    CYS  26           HN       CCU  26   1.045   3.020  -3.167
  158    HA   CYS  26           HA       CCU  26  -1.663   3.606  -4.296
  159   1HB   CYS  26          2HB       CCU  26  -0.661   3.099  -1.476
  160   2HB   CYS  26          1HB       CCU  26  -2.350   3.322  -1.931
  161    HA   PRO  27           HA       PRO  27  -0.756   7.881  -3.561
  162   1HB   PRO  27          2HB       PRO  27  -3.264   8.845  -4.055
  163   2HB   PRO  27          1HB       PRO  27  -2.169   8.313  -5.346
  164   1HG   PRO  27          2HG       PRO  27  -4.511   6.933  -4.168
  165   2HG   PRO  27          1HG       PRO  27  -3.895   6.903  -5.825
  166   1HD   PRO  27          2HD       PRO  27  -3.517   4.904  -3.945
  167   2HD   PRO  27          1HD       PRO  27  -2.529   5.139  -5.402
  168    H    THR  28           H        THR  28  -2.365   9.705  -2.345
  169    HA   THR  28           HA       THR  28  -2.599   8.616   0.395
  170    HB   THR  28           HB       THR  28  -1.446  10.775  -0.126
  171    HG1  THR  28           HG1      THR  28  -2.920  12.051   1.347
  172   1HG2  THR  28          2HG2      THR  28  -3.921  11.196  -1.584
  173   2HG2  THR  28          1HG2      THR  28  -3.595  12.534  -0.482
  174   3HG2  THR  28          3HG2      THR  28  -2.398  12.078  -1.695
  175    H    GLY  29           H        GLY  29  -4.454   7.536  -1.290
  176   1HA   GLY  29          2HA       GLY  29  -6.972   8.556  -0.101
  177   2HA   GLY  29          1HA       GLY  29  -6.913   8.281  -1.848
  178    H    CYS  30           HN       CCU  30  -4.892   6.251   0.016
  179    HA   CYS  30           HA       CCU  30  -6.612   3.917  -0.650
  180   1HB   CYS  30          2HB       CCU  30  -4.066   4.321  -1.043
  181   2HB   CYS  30          1HB       CCU  30  -3.900   3.849   0.644
  182    H    ASN  31           H        ASN  31  -7.988   5.071   1.218
  183    HA   ASN  31           HA       ASN  31  -7.158   3.979   3.879
  184   1HB   ASN  31          2HB       ASN  31  -7.567   6.355   3.853
  185   2HB   ASN  31          1HB       ASN  31  -9.083   6.139   2.977
  186   1HD2  ASN  31          2HD2      ASN  31  -9.205   4.640   6.797
  187   2HD2  ASN  31          1HD2      ASN  31  -7.927   4.206   5.768
  188    H    SER  32           H        SER  32  -8.869   2.933   1.312
  189    HA   SER  32           HA       SER  32 -11.164   1.867   2.912
  190   1HB   SER  32          2HB       SER  32 -12.227   1.592   0.755
  191   2HB   SER  32          1HB       SER  32 -11.506   3.199   0.786
  192    HG   SER  32           HG       SER  32 -11.093   1.824  -1.127
  193    H    ASP  33           H        ASP  33 -11.768  -0.377   1.439
  194    HA   ASP  33           HA       ASP  33  -9.297  -2.067   1.639
  195   1HB   ASP  33          2HB       ASP  33 -12.153  -2.589   2.518
  196   2HB   ASP  33          1HB       ASP  33 -10.898  -3.827   2.498
  197    H    ASP  34           H        ASP  34 -11.437  -0.824  -0.484
  198    HA   ASP  34           HA       ASP  34 -11.175  -3.180  -2.294
  199   1HB   ASP  34          2HB       ASP  34 -13.610  -1.706  -1.376
  200   2HB   ASP  34          1HB       ASP  34 -13.582  -2.248  -3.054
  201    H    LYS  35           H        LYS  35  -9.597  -0.892  -2.139
  202    HA   LYS  35           HA       LYS  35  -9.733   0.021  -4.901
  203   1HB   LYS  35          2HB       LYS  35 -11.157   1.456  -2.991
  204   2HB   LYS  35          1HB       LYS  35  -9.622   2.322  -3.069
  205   1HG   LYS  35          2HG       LYS  35 -10.097   1.937  -5.718
  206   2HG   LYS  35          1HG       LYS  35 -11.750   2.064  -5.113
  207   1HD   LYS  35          2HD       LYS  35 -10.028   4.068  -3.897
  208   2HD   LYS  35          1HD       LYS  35 -10.015   4.194  -5.657
  209   1HE   LYS  35          2HE       LYS  35 -12.005   5.277  -5.495
  210   2HE   LYS  35          1HE       LYS  35 -12.716   3.742  -4.958
  211   1HZ   LYS  35          3HZ       LYS  35 -11.189   5.448  -3.092
  212   2HZ   LYS  35          2HZ       LYS  35 -12.841   5.732  -3.368
  213   3HZ   LYS  35          1HZ       LYS  35 -12.327   4.241  -2.735
  214    H    CYS  36           HN       CCU  36  -8.050  -1.461  -3.184
  215    HA   CYS  36           HA       CCU  36  -5.668   0.309  -2.796
  216   1HB   CYS  36          2HB       CCU  36  -6.641  -0.948  -0.892
  217   2HB   CYS  36          1HB       CCU  36  -6.376  -2.453  -1.766
  218    HA   PRO  37           HA       PRO  37  -4.301  -2.154  -6.370
  219   1HB   PRO  37          2HB       PRO  37  -2.877  -0.138  -7.539
  220   2HB   PRO  37          1HB       PRO  37  -4.629  -0.321  -7.756
  221   1HG   PRO  37          2HG       PRO  37  -3.126   1.613  -6.112
  222   2HG   PRO  37          1HG       PRO  37  -4.712   1.769  -6.876
  223   1HD   PRO  37          2HD       PRO  37  -4.207   1.243  -4.161
  224   2HD   PRO  37          1HD       PRO  37  -5.772   1.112  -4.993
  225    H    CYS  38           HN       CCU  38  -3.128  -2.441  -3.844
  226    HA   CYS  38           HA       CCU  38  -0.355  -1.570  -3.771
  227   1HB   CYS  38          2HB       CCU  38  -2.198  -2.308  -1.988
  228   2HB   CYS  38          1HB       CCU  38  -1.444  -3.875  -2.220
  229    H    GLY  39           H        GLY  39   0.952  -3.845  -2.970
  230   1HA   GLY  39          2HA       GLY  39   1.607  -5.103  -5.496
  231   2HA   GLY  39          1HA       GLY  39   2.277  -5.547  -3.924
  232    H    ASN  40           HN       ASN  40  -0.633  -5.792  -2.955
  233    HA   ASN  40           HA       ASN  40  -0.880  -8.649  -3.370
  234   1HB   ASN  40          2HB       ASN  40  -1.630  -6.956  -1.457
  235   2HB   ASN  40          1HB       ASN  40  -3.119  -6.908  -2.402
  236   1HD2  ASN  40          2HD2      ASN  40  -3.013 -10.747  -1.978
  237   2HD2  ASN  40          1HD2      ASN  40  -2.527  -9.803  -3.303
   
  Start of MODEL    8
    1   1H    GLN   1          1H        GLN   1  16.014   4.358  -0.569
    2   2H    GLN   1          3H        GLN   1  15.029   4.885   0.707
    3   3H    GLN   1          2H        GLN   1  15.626   3.295   0.697
    4    HA   GLN   1           HA       GLN   1  14.287   2.738  -1.219
    5   1HB   GLN   1          2HB       GLN   1  13.305   2.388   0.938
    6   2HB   GLN   1          1HB       GLN   1  12.986   4.112   1.145
    7   1HG   GLN   1          2HG       GLN   1  11.763   3.162  -1.296
    8   2HG   GLN   1          1HG       GLN   1  11.235   2.180   0.069
    9   1HE2  GLN   1          2HE2      GLN   1   9.926   6.001  -0.277
   10   2HE2  GLN   1          1HE2      GLN   1  10.958   5.311  -1.434
   11    H    ASN   2           H        ASN   2  14.003   3.715  -3.197
   12    HA   ASN   2           HA       ASN   2  12.639   6.386  -3.243
   13   1HB   ASN   2          2HB       ASN   2  14.138   6.833  -5.243
   14   2HB   ASN   2          1HB       ASN   2  14.990   6.710  -3.703
   15   1HD2  ASN   2          2HD2      ASN   2  17.110   4.360  -5.284
   16   2HD2  ASN   2          1HD2      ASN   2  16.987   5.875  -4.527
   17    H    GLU   3           H        GLU   3  11.706   3.507  -3.627
   18    HA   GLU   3           HA       GLU   3  10.974   3.485  -6.507
   19   1HB   GLU   3          2HB       GLU   3  11.284   1.593  -4.286
   20   2HB   GLU   3          1HB       GLU   3   9.834   1.293  -5.244
   21   1HG   GLU   3          2HG       GLU   3  12.443   1.817  -6.637
   22   2HG   GLU   3          1HG       GLU   3  12.115   0.214  -5.979
   23    H    GLY   4           H        GLY   4   9.088   2.640  -3.587
   24   1HA   GLY   4          2HA       GLY   4   6.738   3.972  -4.826
   25   2HA   GLY   4          1HA       GLY   4   6.676   2.824  -3.488
   26    H    HIS   5           H        HIS   5   6.369   3.698  -1.494
   27    HA   HIS   5           HA       HIS   5   7.571   6.299  -0.790
   28   1HB   HIS   5          2HB       HIS   5   4.983   6.813  -0.042
   29   2HB   HIS   5          1HB       HIS   5   5.701   7.396  -1.540
   30    HD1  HIS   5           HD1      HIS   5   3.084   5.102  -0.239
   31    HD2  HIS   5           HD2      HIS   5   5.044   5.764  -3.848
   32    HE1  HIS   5           HE1      HIS   5   1.775   3.843  -2.007
   33    H    GLU   6           H        GLU   6   4.646   5.080   0.650
   34    HA   GLU   6           HA       GLU   6   6.016   3.484   2.697
   35   1HB   GLU   6          2HB       GLU   6   6.104   6.154   3.058
   36   2HB   GLU   6          1HB       GLU   6   4.517   5.836   3.761
   37   1HG   GLU   6          2HG       GLU   6   5.589   5.227   5.650
   38   2HG   GLU   6          1HG       GLU   6   6.146   3.801   4.773
   39    H    CYS   7           HN       CNP   7   4.450   1.839   2.187
   40    HA   CYS   7           HA       CNP   7   1.666   2.366   1.987
   41   1HB   CYS   7          2HB       CNP   7   2.263   0.467   0.892
   42   2HB   CYS   7          1HB       CNP   7   3.528   0.046   1.962
   43    H    GLN   8           H        GLN   8   1.236   3.552   3.898
   44    HA   GLN   8           HA       GLN   8   1.569   2.212   6.506
   45   1HB   GLN   8          2HB       GLN   8   1.706   4.736   6.057
   46   2HB   GLN   8          1HB       GLN   8  -0.027   4.687   5.728
   47   1HG   GLN   8          2HG       GLN   8   0.566   5.329   8.100
   48   2HG   GLN   8          1HG       GLN   8  -0.503   3.932   7.970
   49   1HE2  GLN   8          2HE2      GLN   8   1.898   1.633   9.236
   50   2HE2  GLN   8          1HE2      GLN   8   0.419   1.792   8.419
   51    H    CYS   9           HN       CCU   9  -0.054   1.370   3.928
   52    HA   CYS   9           HA       CCU   9  -2.795   1.471   4.258
   53   1HB   CYS   9          2HB       CCU   9  -0.963  -0.757   3.372
   54   2HB   CYS   9          1HB       CCU   9  -2.667  -0.648   3.031
   55    H    GLN  10           H        GLN  10  -4.190   0.689   5.603
   56    HA   GLN  10           HA       GLN  10  -3.350  -1.319   7.659
   57   1HB   GLN  10          2HB       GLN  10  -5.391   0.927   7.583
   58   2HB   GLN  10          1HB       GLN  10  -5.382  -0.293   8.856
   59   1HG   GLN  10          2HG       GLN  10  -3.210   0.361   9.603
   60   2HG   GLN  10          1HG       GLN  10  -2.937   1.345   8.164
   61   1HE2  GLN  10          2HE2      GLN  10  -4.019   3.578  11.000
   62   2HE2  GLN  10          1HE2      GLN  10  -2.750   2.468  10.805
   63    H    CYS  11           HN       CNP  11  -4.608  -1.272   4.731
   64    HA   CYS  11           HA       CNP  11  -7.212  -2.280   4.737
   65   1HB   CYS  11          2HB       CNP  11  -4.841  -3.068   3.021
   66   2HB   CYS  11          1HB       CNP  11  -6.524  -3.113   2.568
   67    H    GLY  12           H        GLY  12  -6.967  -4.818   3.518
   68   1HA   GLY  12          2HA       GLY  12  -6.279  -6.502   5.878
   69   2HA   GLY  12          1HA       GLY  12  -7.425  -6.958   4.612
   70    H    SER  13           H        SER  13  -5.560  -5.857   2.538
   71    HA   SER  13           HA       SER  13  -3.832  -8.264   2.339
   72   1HB   SER  13          2HB       SER  13  -5.520  -6.960   0.595
   73   2HB   SER  13          1HB       SER  13  -3.946  -6.329   0.120
   74    HG   SER  13           HG       SER  13  -3.270  -8.347  -0.345
   75    H    CYS  14           HN       CCU  14  -3.565  -5.238   3.564
   76    HA   CYS  14           HA       CCU  14  -0.807  -4.781   2.623
   77   1HB   CYS  14          2HB       CCU  14  -3.096  -3.198   3.636
   78   2HB   CYS  14          1HB       CCU  14  -1.493  -2.612   3.987
   79    H    LYS  15           H        LYS  15  -2.829  -5.223   5.348
   80    HA   LYS  15           HA       LYS  15  -0.790  -4.899   7.403
   81   1HB   LYS  15          2HB       LYS  15  -3.645  -5.465   7.136
   82   2HB   LYS  15          1HB       LYS  15  -2.904  -6.419   8.423
   83   1HG   LYS  15          2HG       LYS  15  -1.757  -4.058   8.971
   84   2HG   LYS  15          1HG       LYS  15  -3.228  -3.463   8.201
   85   1HD   LYS  15          2HD       LYS  15  -4.628  -4.530   9.786
   86   2HD   LYS  15          1HD       LYS  15  -3.324  -5.572  10.358
   87   1HE   LYS  15          2HE       LYS  15  -2.494  -3.968  11.764
   88   2HE   LYS  15          1HE       LYS  15  -2.808  -2.659  10.606
   89   1HZ   LYS  15          3HZ       LYS  15  -5.013  -4.122  11.926
   90   2HZ   LYS  15          2HZ       LYS  15  -4.293  -2.769  12.658
   91   3HZ   LYS  15          1HZ       LYS  15  -5.064  -2.613  11.152
   92    H    ASN  16           H        ASN  16  -1.968  -7.541   5.423
   93    HA   ASN  16           HA       ASN  16  -0.566  -9.585   7.052
   94   1HB   ASN  16          2HB       ASN  16  -2.883  -9.763   5.914
   95   2HB   ASN  16          1HB       ASN  16  -1.985  -9.929   4.403
   96   1HD2  ASN  16          2HD2      ASN  16  -2.162 -13.411   5.242
   97   2HD2  ASN  16          1HD2      ASN  16  -2.909 -12.191   4.329
   98    H    ASN  17           H        ASN  17  -0.386  -8.056   3.838
   99    HA   ASN  17           HA       ASN  17   2.111  -9.535   3.211
  100   1HB   ASN  17          2HB       ASN  17   0.021  -7.966   1.803
  101   2HB   ASN  17          1HB       ASN  17   1.647  -7.838   1.132
  102   1HD2  ASN  17          2HD2      ASN  17   1.724 -11.563   0.753
  103   2HD2  ASN  17          1HD2      ASN  17   2.639 -10.437   1.633
  104    H    GLU  18           H        GLU  18   3.669  -8.566   4.587
  105    HA   GLU  18           HA       GLU  18   3.925  -5.627   4.669
  106   1HB   GLU  18          2HB       GLU  18   4.408  -7.769   6.388
  107   2HB   GLU  18          1HB       GLU  18   6.022  -7.247   5.906
  108   1HG   GLU  18          2HG       GLU  18   5.720  -5.084   6.764
  109   2HG   GLU  18          1HG       GLU  18   3.961  -5.223   6.750
  110    H    GLN  19           H        GLN  19   4.701  -7.765   2.384
  111    HA   GLN  19           HA       GLN  19   7.528  -7.150   1.973
  112   1HB   GLN  19          2HB       GLN  19   5.349  -8.719   0.678
  113   2HB   GLN  19          1HB       GLN  19   6.708  -8.248  -0.343
  114   1HG   GLN  19          2HG       GLN  19   7.154  -9.520   2.355
  115   2HG   GLN  19          1HG       GLN  19   6.887 -10.503   0.914
  116   1HE2  GLN  19          2HE2      GLN  19  10.405  -8.453   1.339
  117   2HE2  GLN  19          1HE2      GLN  19   9.103  -8.124   2.376
  118    H    CYS  20           HN       CCU  20   4.854  -5.292   1.675
  119    HA   CYS  20           HA       CCU  20   6.057  -3.678  -0.528
  120   1HB   CYS  20          2HB       CCU  20   3.752  -3.355  -1.329
  121   2HB   CYS  20          1HB       CCU  20   4.172  -5.060  -1.327
  122    H    GLN  21           H        GLN  21   5.912  -3.490   2.557
  123    HA   GLN  21           HA       GLN  21   4.141  -1.203   3.039
  124   1HB   GLN  21          2HB       GLN  21   6.315  -2.532   4.688
  125   2HB   GLN  21          1HB       GLN  21   5.143  -1.368   5.305
  126   1HG   GLN  21          2HG       GLN  21   3.916  -3.595   3.833
  127   2HG   GLN  21          1HG       GLN  21   4.785  -4.099   5.283
  128   1HE2  GLN  21          2HE2      GLN  21   1.210  -2.340   5.696
  129   2HE2  GLN  21          1HE2      GLN  21   1.801  -2.905   4.209
  130    H    LYS  22           H        LYS  22   6.824  -1.283   1.259
  131    HA   LYS  22           HA       LYS  22   7.658   1.447   2.120
  132   1HB   LYS  22          2HB       LYS  22  10.039   0.695   1.909
  133   2HB   LYS  22          1HB       LYS  22   9.172  -0.141   3.197
  134   1HG   LYS  22          2HG       LYS  22   9.528  -2.131   2.209
  135   2HG   LYS  22          1HG       LYS  22   8.808  -1.552   0.706
  136   1HD   LYS  22          2HD       LYS  22  10.907  -1.806  -0.134
  137   2HD   LYS  22          1HD       LYS  22  11.221  -0.265   0.664
  138   1HE   LYS  22          2HE       LYS  22  11.846  -1.616   2.748
  139   2HE   LYS  22          1HE       LYS  22  11.841  -3.046   1.697
  140   1HZ   LYS  22          1HZ       LYS  22  13.350  -1.880   0.190
  141   2HZ   LYS  22          3HZ       LYS  22  13.395  -0.552   1.244
  142   3HZ   LYS  22          2HZ       LYS  22  14.036  -2.047   1.735
  143    H    SER  23           H        SER  23   6.459  -0.336  -0.290
  144    HA   SER  23           HA       SER  23   7.426   1.496  -2.374
  145   1HB   SER  23          2HB       SER  23   9.152  -0.355  -2.076
  146   2HB   SER  23          1HB       SER  23   7.917  -1.486  -2.621
  147    HG   SER  23           HG       SER  23   7.982   0.572  -4.311
  148    H    CYS  24           HN       CNP  24   4.836   0.790  -1.178
  149    HA   CYS  24           HA       CNP  24   3.406  -0.949  -3.006
  150   1HB   CYS  24          2HB       CNP  24   1.861  -0.723  -1.310
  151   2HB   CYS  24          1HB       CNP  24   3.239  -0.134  -0.457
  152    H    SER  25           H        SER  25   2.212  -0.275  -4.817
  153    HA   SER  25           HA       SER  25   2.678   2.455  -5.798
  154   1HB   SER  25          2HB       SER  25   1.521  -0.122  -6.794
  155   2HB   SER  25          1HB       SER  25   1.136   1.359  -7.664
  156    HG   SER  25           HG       SER  25   3.024   0.464  -8.495
  157    H    CYS  26           HN       CCU  26   1.215   2.959  -3.599
  158    HA   CYS  26           HA       CCU  26  -1.591   3.319  -4.585
  159   1HB   CYS  26          2HB       CCU  26  -0.450   2.942  -1.803
  160   2HB   CYS  26          1HB       CCU  26  -2.150   3.222  -2.162
  161    HA   PRO  27           HA       PRO  27  -0.718   7.622  -4.053
  162   1HB   PRO  27          2HB       PRO  27  -3.275   8.542  -4.336
  163   2HB   PRO  27          1HB       PRO  27  -2.307   7.964  -5.706
  164   1HG   PRO  27          2HG       PRO  27  -4.526   6.639  -4.270
  165   2HG   PRO  27          1HG       PRO  27  -4.029   6.503  -5.962
  166   1HD   PRO  27          2HD       PRO  27  -3.492   4.650  -3.945
  167   2HD   PRO  27          1HD       PRO  27  -2.685   4.735  -5.525
  168    H    THR  28           H        THR  28  -2.164   9.491  -2.728
  169    HA   THR  28           HA       THR  28  -2.177   8.452   0.045
  170    HB   THR  28           HB       THR  28  -0.977  10.529  -0.473
  171    HG1  THR  28           HG1      THR  28  -1.749  10.798   1.491
  172   1HG2  THR  28          2HG2      THR  28  -3.644  11.325  -1.636
  173   2HG2  THR  28          1HG2      THR  28  -2.446  12.530  -1.166
  174   3HG2  THR  28          3HG2      THR  28  -2.060  11.344  -2.413
  175    H    GLY  29           H        GLY  29  -4.209   7.430  -1.465
  176   1HA   GLY  29          2HA       GLY  29  -6.573   8.545  -0.061
  177   2HA   GLY  29          1HA       GLY  29  -6.682   8.266  -1.806
  178    H    CYS  30           HN       CCU  30  -4.582   6.176  -0.096
  179    HA   CYS  30           HA       CCU  30  -6.350   3.878  -0.683
  180   1HB   CYS  30          2HB       CCU  30  -3.784   4.233  -1.026
  181   2HB   CYS  30          1HB       CCU  30  -3.670   3.785   0.672
  182    H    ASN  31           H        ASN  31  -7.588   5.325   1.245
  183    HA   ASN  31           HA       ASN  31  -6.859   4.192   3.897
  184   1HB   ASN  31          2HB       ASN  31  -8.446   6.457   2.799
  185   2HB   ASN  31          1HB       ASN  31  -9.017   5.771   4.321
  186   1HD2  ASN  31          2HD2      ASN  31  -6.223   8.406   4.747
  187   2HD2  ASN  31          1HD2      ASN  31  -7.538   8.404   3.674
  188    H    SER  32           H        SER  32  -8.849   3.438   1.262
  189    HA   SER  32           HA       SER  32 -10.935   2.116   2.929
  190   1HB   SER  32          2HB       SER  32 -11.078   3.599   0.674
  191   2HB   SER  32          1HB       SER  32 -10.909   2.001  -0.049
  192    HG   SER  32           HG       SER  32 -13.098   2.562   0.367
  193    H    ASP  33           H        ASP  33 -11.465  -0.180   2.399
  194    HA   ASP  33           HA       ASP  33  -8.984  -1.726   1.842
  195   1HB   ASP  33          2HB       ASP  33 -10.391  -2.030   3.922
  196   2HB   ASP  33          1HB       ASP  33 -11.679  -2.642   2.884
  197    H    ASP  34           H        ASP  34 -11.395  -0.516   0.025
  198    HA   ASP  34           HA       ASP  34 -11.325  -2.855  -1.832
  199   1HB   ASP  34          2HB       ASP  34 -13.662  -1.086  -1.038
  200   2HB   ASP  34          1HB       ASP  34 -13.720  -2.207  -2.398
  201    H    LYS  35           H        LYS  35  -9.662  -0.623  -1.771
  202    HA   LYS  35           HA       LYS  35  -9.943   0.304  -4.519
  203   1HB   LYS  35          2HB       LYS  35 -10.956   1.837  -2.291
  204   2HB   LYS  35          1HB       LYS  35  -9.589   2.694  -3.003
  205   1HG   LYS  35          2HG       LYS  35 -10.618   2.835  -5.117
  206   2HG   LYS  35          1HG       LYS  35 -11.762   1.544  -4.746
  207   1HD   LYS  35          2HD       LYS  35 -12.829   3.012  -3.044
  208   2HD   LYS  35          1HD       LYS  35 -11.728   4.311  -3.505
  209   1HE   LYS  35          2HE       LYS  35 -12.608   4.060  -5.887
  210   2HE   LYS  35          1HE       LYS  35 -13.876   3.020  -5.210
  211   1HZ   LYS  35          2HZ       LYS  35 -13.305   5.561  -3.871
  212   2HZ   LYS  35          1HZ       LYS  35 -14.183   5.614  -5.325
  213   3HZ   LYS  35          3HZ       LYS  35 -14.775   4.719  -4.011
  214    H    CYS  36           HN       CCU  36  -8.196  -1.271  -2.995
  215    HA   CYS  36           HA       CCU  36  -5.746   0.410  -2.634
  216   1HB   CYS  36          2HB       CCU  36  -6.607  -0.985  -0.789
  217   2HB   CYS  36          1HB       CCU  36  -6.484  -2.413  -1.810
  218    HA   PRO  37           HA       PRO  37  -4.652  -1.761  -6.485
  219   1HB   PRO  37          2HB       PRO  37  -3.297   0.337  -7.591
  220   2HB   PRO  37          1HB       PRO  37  -5.060   0.171  -7.701
  221   1HG   PRO  37          2HG       PRO  37  -3.443   1.993  -6.045
  222   2HG   PRO  37          1HG       PRO  37  -5.094   2.176  -6.651
  223   1HD   PRO  37          2HD       PRO  37  -4.316   1.437  -4.038
  224   2HD   PRO  37          1HD       PRO  37  -5.957   1.411  -4.716
  225    H    CYS  38           HN       CCU  38  -3.319  -2.260  -4.087
  226    HA   CYS  38           HA       CCU  38  -0.550  -1.394  -4.107
  227   1HB   CYS  38          2HB       CCU  38  -2.265  -2.324  -2.293
  228   2HB   CYS  38          1HB       CCU  38  -1.533  -3.854  -2.733
  229    H    GLY  39           H        GLY  39   0.815  -3.728  -3.634
  230   1HA   GLY  39          2HA       GLY  39   1.309  -4.702  -6.318
  231   2HA   GLY  39          1HA       GLY  39   2.087  -5.298  -4.851
  232    H    ASN  40           HN       ASN  40  -0.477  -5.907  -3.526
  233    HA   ASN  40           HA       ASN  40  -1.807  -7.901  -5.238
  234   1HB   ASN  40          2HB       ASN  40   0.209  -9.092  -4.656
  235   2HB   ASN  40          1HB       ASN  40   0.070  -8.608  -2.966
  236   1HD2  ASN  40          2HD2      ASN  40  -2.864 -11.214  -4.194
  237   2HD2  ASN  40          1HD2      ASN  40  -2.500  -9.859  -5.151
   
  Start of MODEL    9
    1   1H    GLN   1          3H        GLN   1   6.261  -1.163 -10.063
    2   2H    GLN   1          2H        GLN   1   6.080  -0.249 -11.484
    3   3H    GLN   1          1H        GLN   1   7.034  -1.655 -11.490
    4    HA   GLN   1           HA       GLN   1   8.530   0.187 -11.431
    5   1HB   GLN   1          2HB       GLN   1   6.350   1.116  -9.664
    6   2HB   GLN   1          1HB       GLN   1   7.967   1.588  -9.142
    7   1HG   GLN   1          2HG       GLN   1   7.174   3.322 -10.608
    8   2HG   GLN   1          1HG       GLN   1   8.383   2.404 -11.506
    9   1HE2  GLN   1          2HE2      GLN   1   4.470   1.553 -12.465
   10   2HE2  GLN   1          1HE2      GLN   1   4.899   1.738 -10.834
   11    H    ASN   2           H        ASN   2  10.195   0.617  -9.561
   12    HA   ASN   2           HA       ASN   2  10.516  -1.944  -8.070
   13   1HB   ASN   2          2HB       ASN   2  12.326   0.307  -8.961
   14   2HB   ASN   2          1HB       ASN   2  12.879  -0.926  -7.827
   15   1HD2  ASN   2          2HD2      ASN   2  12.324  -1.899 -11.761
   16   2HD2  ASN   2          1HD2      ASN   2  11.779  -0.404 -11.169
   17    H    GLU   3           H        GLU   3  10.479   1.583  -7.582
   18    HA   GLU   3           HA       GLU   3  10.465   1.123  -4.622
   19   1HB   GLU   3          2HB       GLU   3  12.047   2.705  -6.207
   20   2HB   GLU   3          1HB       GLU   3  10.789   3.846  -5.729
   21   1HG   GLU   3          2HG       GLU   3  11.538   3.937  -3.597
   22   2HG   GLU   3          1HG       GLU   3  11.712   2.184  -3.501
   23    H    GLY   4           H        GLY   4   9.173   3.078  -3.541
   24   1HA   GLY   4          2HA       GLY   4   6.818   3.953  -5.053
   25   2HA   GLY   4          1HA       GLY   4   6.467   2.773  -3.788
   26    H    HIS   5           H        HIS   5   6.272   3.515  -1.701
   27    HA   HIS   5           HA       HIS   5   7.566   6.049  -0.906
   28   1HB   HIS   5          2HB       HIS   5   5.020   6.609  -0.088
   29   2HB   HIS   5          1HB       HIS   5   5.703   7.201  -1.599
   30    HD1  HIS   5           HD1      HIS   5   3.055   4.981  -0.256
   31    HD2  HIS   5           HD2      HIS   5   4.948   5.601  -3.910
   32    HE1  HIS   5           HE1      HIS   5   1.659   3.783  -1.998
   33    H    GLU   6           H        GLU   6   4.648   4.864   0.570
   34    HA   GLU   6           HA       GLU   6   6.032   3.150   2.512
   35   1HB   GLU   6          2HB       GLU   6   5.255   4.736   4.387
   36   2HB   GLU   6          1HB       GLU   6   6.635   5.271   3.426
   37   1HG   GLU   6          2HG       GLU   6   4.098   6.060   2.219
   38   2HG   GLU   6          1HG       GLU   6   4.283   6.707   3.850
   39    H    CYS   7           HN       CNP   7   4.380   1.579   1.963
   40    HA   CYS   7           HA       CNP   7   1.613   2.201   1.906
   41   1HB   CYS   7          2HB       CNP   7   2.073   0.348   0.732
   42   2HB   CYS   7          1HB       CNP   7   3.384  -0.173   1.720
   43    H    GLN   8           H        GLN   8   1.284   3.318   3.888
   44    HA   GLN   8           HA       GLN   8   1.651   1.800   6.400
   45   1HB   GLN   8          2HB       GLN   8   0.350   4.481   5.745
   46   2HB   GLN   8          1HB       GLN   8   0.706   3.887   7.369
   47   1HG   GLN   8          2HG       GLN   8   2.730   4.499   5.193
   48   2HG   GLN   8          1HG       GLN   8   2.477   5.417   6.679
   49   1HE2  GLN   8          2HE2      GLN   8   4.712   2.013   6.769
   50   2HE2  GLN   8          1HE2      GLN   8   3.970   2.530   5.332
   51    H    CYS   9           HN       CCU   9  -0.059   1.172   3.876
   52    HA   CYS   9           HA       CCU   9  -2.781   1.444   4.176
   53   1HB   CYS   9          2HB       CCU   9  -1.029  -0.848   3.314
   54   2HB   CYS   9          1HB       CCU   9  -2.740  -0.766   3.023
   55    H    GLN  10           H        GLN  10  -4.252   0.767   5.497
   56    HA   GLN  10           HA       GLN  10  -3.573  -1.229   7.620
   57   1HB   GLN  10          2HB       GLN  10  -4.957   1.342   7.497
   58   2HB   GLN  10          1HB       GLN  10  -5.980   0.098   8.216
   59   1HG   GLN  10          2HG       GLN  10  -4.457  -0.327   9.957
   60   2HG   GLN  10          1HG       GLN  10  -3.112   0.410   9.084
   61   1HE2  GLN  10          2HE2      GLN  10  -5.313   2.692  11.542
   62   2HE2  GLN  10          1HE2      GLN  10  -5.427   0.999  11.502
   63    H    CYS  11           HN       CNP  11  -4.682  -1.255   4.646
   64    HA   CYS  11           HA       CNP  11  -7.319  -2.181   4.558
   65   1HB   CYS  11          2HB       CNP  11  -4.888  -3.079   2.990
   66   2HB   CYS  11          1HB       CNP  11  -6.545  -3.113   2.455
   67    H    GLY  12           H        GLY  12  -7.035  -4.780   3.415
   68   1HA   GLY  12          2HA       GLY  12  -6.513  -6.392   5.871
   69   2HA   GLY  12          1HA       GLY  12  -7.645  -6.853   4.594
   70    H    SER  13           H        SER  13  -5.667  -5.880   2.542
   71    HA   SER  13           HA       SER  13  -4.031  -8.362   2.480
   72   1HB   SER  13          2HB       SER  13  -4.996  -6.331   0.475
   73   2HB   SER  13          1HB       SER  13  -3.703  -7.453   0.058
   74    HG   SER  13           HG       SER  13  -6.372  -8.007   0.822
   75    H    CYS  14           HN       CCU  14  -3.702  -5.272   3.544
   76    HA   CYS  14           HA       CCU  14  -0.910  -4.934   2.671
   77   1HB   CYS  14          2HB       CCU  14  -3.166  -3.276   3.620
   78   2HB   CYS  14          1HB       CCU  14  -1.556  -2.732   4.012
   79    H    LYS  15           H        LYS  15  -2.968  -5.332   5.363
   80    HA   LYS  15           HA       LYS  15  -1.067  -4.935   7.494
   81   1HB   LYS  15          2HB       LYS  15  -2.837  -5.969   8.845
   82   2HB   LYS  15          1HB       LYS  15  -3.561  -4.874   7.666
   83   1HG   LYS  15          2HG       LYS  15  -4.747  -6.567   6.783
   84   2HG   LYS  15          1HG       LYS  15  -3.263  -7.464   6.462
   85   1HD   LYS  15          2HD       LYS  15  -3.370  -8.632   8.475
   86   2HD   LYS  15          1HD       LYS  15  -4.357  -7.396   9.257
   87   1HE   LYS  15          2HE       LYS  15  -5.996  -8.186   7.187
   88   2HE   LYS  15          1HE       LYS  15  -5.207  -9.709   7.641
   89   1HZ   LYS  15          1HZ       LYS  15  -5.654  -9.064  10.005
   90   2HZ   LYS  15          3HZ       LYS  15  -6.649  -7.822   9.420
   91   3HZ   LYS  15          2HZ       LYS  15  -7.040  -9.444   9.097
   92    H    ASN  16           H        ASN  16  -1.365  -7.431   5.194
   93    HA   ASN  16           HA       ASN  16   0.100  -9.349   6.979
   94   1HB   ASN  16          2HB       ASN  16  -1.999  -9.586   4.866
   95   2HB   ASN  16          1HB       ASN  16  -0.826 -10.897   4.992
   96   1HD2  ASN  16          2HD2      ASN  16  -1.924 -11.870   8.291
   97   2HD2  ASN  16          1HD2      ASN  16  -0.538 -11.794   7.313
   98    H    ASN  17           H        ASN  17   0.000  -7.791   3.807
   99    HA   ASN  17           HA       ASN  17   2.372  -9.209   2.817
  100   1HB   ASN  17          2HB       ASN  17   0.255  -8.142   1.620
  101   2HB   ASN  17          1HB       ASN  17   1.258  -6.691   1.629
  102   1HD2  ASN  17          2HD2      ASN  17   1.930  -8.920  -1.419
  103   2HD2  ASN  17          1HD2      ASN  17   0.465  -8.433  -0.713
  104    H    GLU  18           H        GLU  18   4.099  -8.657   4.229
  105    HA   GLU  18           HA       GLU  18   4.669  -5.811   4.793
  106   1HB   GLU  18          2HB       GLU  18   5.586  -8.512   5.685
  107   2HB   GLU  18          1HB       GLU  18   6.707  -7.165   5.888
  108   1HG   GLU  18          2HG       GLU  18   5.520  -6.328   7.613
  109   2HG   GLU  18          1HG       GLU  18   4.011  -6.435   6.707
  110    H    GLN  19           H        GLN  19   5.053  -7.511   2.094
  111    HA   GLN  19           HA       GLN  19   7.912  -6.880   1.609
  112   1HB   GLN  19          2HB       GLN  19   6.199  -8.938   0.893
  113   2HB   GLN  19          1HB       GLN  19   6.290  -7.973  -0.581
  114   1HG   GLN  19          2HG       GLN  19   8.602  -9.168   0.969
  115   2HG   GLN  19          1HG       GLN  19   8.083  -9.585  -0.665
  116   1HE2  GLN  19          2HE2      GLN  19   9.578  -6.700  -2.160
  117   2HE2  GLN  19          1HE2      GLN  19   8.387  -7.891  -2.367
  118    H    CYS  20           HN       CCU  20   5.107  -5.204   1.493
  119    HA   CYS  20           HA       CCU  20   6.098  -3.416  -0.657
  120   1HB   CYS  20          2HB       CCU  20   3.863  -3.399  -1.582
  121   2HB   CYS  20          1HB       CCU  20   4.389  -5.067  -1.472
  122    H    GLN  21           H        GLN  21   5.538  -3.606   2.491
  123    HA   GLN  21           HA       GLN  21   3.645  -1.453   2.937
  124   1HB   GLN  21          2HB       GLN  21   4.449  -1.691   5.304
  125   2HB   GLN  21          1HB       GLN  21   3.920  -3.203   4.577
  126   1HG   GLN  21          2HG       GLN  21   5.987  -3.611   5.764
  127   2HG   GLN  21          1HG       GLN  21   6.327  -3.711   4.042
  128   1HE2  GLN  21          2HE2      GLN  21   8.987  -1.482   4.657
  129   2HE2  GLN  21          1HE2      GLN  21   8.528  -3.040   4.171
  130    H    LYS  22           H        LYS  22   6.538  -1.208   1.521
  131    HA   LYS  22           HA       LYS  22   6.955   1.544   2.581
  132   1HB   LYS  22          2HB       LYS  22   8.654  -0.785   2.941
  133   2HB   LYS  22          1HB       LYS  22   9.515   0.505   2.106
  134   1HG   LYS  22          2HG       LYS  22   7.913   1.570   4.278
  135   2HG   LYS  22          1HG       LYS  22   9.035   0.343   4.865
  136   1HD   LYS  22          2HD       LYS  22  10.924   1.503   4.015
  137   2HD   LYS  22          1HD       LYS  22   9.925   2.547   3.003
  138   1HE   LYS  22          2HE       LYS  22   8.913   3.506   5.107
  139   2HE   LYS  22          1HE       LYS  22  10.114   2.585   6.034
  140   1HZ   LYS  22          2HZ       LYS  22  11.813   3.596   4.491
  141   2HZ   LYS  22          1HZ       LYS  22  10.601   4.675   3.989
  142   3HZ   LYS  22          3HZ       LYS  22  11.107   4.664   5.607
  143    H    SER  23           H        SER  23   6.244  -0.218  -0.017
  144    HA   SER  23           HA       SER  23   7.294   1.778  -1.906
  145   1HB   SER  23          2HB       SER  23   8.686   0.249  -3.119
  146   2HB   SER  23          1HB       SER  23   9.102   0.019  -1.423
  147    HG   SER  23           HG       SER  23   7.629  -1.614  -3.164
  148    H    CYS  24           HN       CNP  24   4.659   0.875  -1.068
  149    HA   CYS  24           HA       CNP  24   3.569  -0.927  -3.056
  150   1HB   CYS  24          2HB       CNP  24   1.814  -0.812  -1.562
  151   2HB   CYS  24          1HB       CNP  24   3.083  -0.235  -0.550
  152    H    SER  25           H        SER  25   1.835  -0.220  -4.583
  153    HA   SER  25           HA       SER  25   2.543   2.385  -5.826
  154   1HB   SER  25          2HB       SER  25   1.097  -0.127  -6.656
  155   2HB   SER  25          1HB       SER  25   1.030   1.328  -7.647
  156    HG   SER  25           HG       SER  25   2.819   0.429  -8.392
  157    H    CYS  26           HN       CCU  26   1.094   2.836  -3.501
  158    HA   CYS  26           HA       CCU  26  -1.678   3.401  -4.492
  159   1HB   CYS  26          2HB       CCU  26  -0.533   2.933  -1.725
  160   2HB   CYS  26          1HB       CCU  26  -2.217   3.332  -2.051
  161    HA   PRO  27           HA       PRO  27  -0.628   7.659  -3.931
  162   1HB   PRO  27          2HB       PRO  27  -3.142   8.680  -4.238
  163   2HB   PRO  27          1HB       PRO  27  -2.192   8.048  -5.596
  164   1HG   PRO  27          2HG       PRO  27  -4.499   6.862  -4.200
  165   2HG   PRO  27          1HG       PRO  27  -3.937   6.628  -5.860
  166   1HD   PRO  27          2HD       PRO  27  -3.554   4.878  -3.684
  167   2HD   PRO  27          1HD       PRO  27  -2.788   4.773  -5.283
  168    H    THR  28           H        THR  28  -2.024   9.602  -2.653
  169    HA   THR  28           HA       THR  28  -2.100   8.620   0.139
  170    HB   THR  28           HB       THR  28  -0.849  10.687  -0.622
  171    HG1  THR  28           HG1      THR  28  -2.957  11.005   1.246
  172   1HG2  THR  28          3HG2      THR  28  -3.462  11.254  -1.719
  173   2HG2  THR  28          2HG2      THR  28  -2.960  12.552  -0.637
  174   3HG2  THR  28          1HG2      THR  28  -1.936  12.094  -1.997
  175    H    GLY  29           H        GLY  29  -4.152   7.666  -1.413
  176   1HA   GLY  29          2HA       GLY  29  -6.495   8.898  -0.062
  177   2HA   GLY  29          1HA       GLY  29  -6.586   8.563  -1.797
  178    H    CYS  30           HN       CCU  30  -4.597   6.473   0.044
  179    HA   CYS  30           HA       CCU  30  -6.408   4.202  -0.505
  180   1HB   CYS  30          2HB       CCU  30  -3.794   4.554  -0.740
  181   2HB   CYS  30          1HB       CCU  30  -3.794   4.035   0.941
  182    H    ASN  31           H        ASN  31  -7.685   5.722   1.325
  183    HA   ASN  31           HA       ASN  31  -7.019   4.727   4.049
  184   1HB   ASN  31          2HB       ASN  31  -7.627   7.156   3.295
  185   2HB   ASN  31          1HB       ASN  31  -9.286   6.559   3.287
  186   1HD2  ASN  31          2HD2      ASN  31  -7.619   7.541   6.789
  187   2HD2  ASN  31          1HD2      ASN  31  -6.954   7.966   5.287
  188    H    SER  32           H        SER  32  -8.517   3.321   1.588
  189    HA   SER  32           HA       SER  32 -10.805   2.305   3.247
  190   1HB   SER  32          2HB       SER  32 -10.823   3.620   0.807
  191   2HB   SER  32          1HB       SER  32 -10.927   1.927   0.335
  192    HG   SER  32           HG       SER  32 -12.525   3.021   2.396
  193    H    ASP  33           H        ASP  33 -11.467   0.052   1.864
  194    HA   ASP  33           HA       ASP  33  -8.928  -1.539   1.734
  195   1HB   ASP  33          2HB       ASP  33 -10.427  -1.700   3.839
  196   2HB   ASP  33          1HB       ASP  33 -11.566  -2.554   2.797
  197    H    ASP  34           H        ASP  34 -11.323  -0.395  -0.118
  198    HA   ASP  34           HA       ASP  34 -11.330  -2.842  -1.831
  199   1HB   ASP  34          2HB       ASP  34 -13.688  -2.363  -2.364
  200   2HB   ASP  34          1HB       ASP  34 -13.497  -2.511  -0.617
  201    H    LYS  35           H        LYS  35  -9.589  -0.678  -1.915
  202    HA   LYS  35           HA       LYS  35  -9.869   0.101  -4.705
  203   1HB   LYS  35          2HB       LYS  35 -11.242   1.731  -3.214
  204   2HB   LYS  35          1HB       LYS  35  -9.676   2.297  -2.629
  205   1HG   LYS  35          2HG       LYS  35  -8.997   2.961  -4.836
  206   2HG   LYS  35          1HG       LYS  35 -10.392   2.165  -5.565
  207   1HD   LYS  35          2HD       LYS  35 -11.366   3.969  -3.582
  208   2HD   LYS  35          1HD       LYS  35 -10.206   4.844  -4.581
  209   1HE   LYS  35          2HE       LYS  35 -11.846   5.049  -6.135
  210   2HE   LYS  35          1HE       LYS  35 -11.734   3.295  -6.385
  211   1HZ   LYS  35          2HZ       LYS  35 -13.292   4.560  -4.195
  212   2HZ   LYS  35          1HZ       LYS  35 -13.975   4.063  -5.669
  213   3HZ   LYS  35          3HZ       LYS  35 -13.281   2.917  -4.629
  214    H    CYS  36           HN       CCU  36  -8.156  -1.449  -3.099
  215    HA   CYS  36           HA       CCU  36  -5.643   0.179  -2.949
  216   1HB   CYS  36          2HB       CCU  36  -6.549  -1.029  -0.945
  217   2HB   CYS  36          1HB       CCU  36  -6.318  -2.547  -1.809
  218    HA   PRO  37           HA       PRO  37  -4.741  -2.443  -6.553
  219   1HB   PRO  37          2HB       PRO  37  -3.401  -0.513  -7.948
  220   2HB   PRO  37          1HB       PRO  37  -5.168  -0.662  -7.974
  221   1HG   PRO  37          2HG       PRO  37  -3.469   1.313  -6.604
  222   2HG   PRO  37          1HG       PRO  37  -5.138   1.453  -7.169
  223   1HD   PRO  37          2HD       PRO  37  -4.275   1.016  -4.516
  224   2HD   PRO  37          1HD       PRO  37  -5.941   0.936  -5.127
  225    H    CYS  38           HN       CCU  38  -3.327  -2.578  -4.110
  226    HA   CYS  38           HA       CCU  38  -0.564  -1.794  -4.294
  227   1HB   CYS  38          2HB       CCU  38  -2.249  -2.558  -2.375
  228   2HB   CYS  38          1HB       CCU  38  -1.533  -4.125  -2.703
  229    H    GLY  39           H        GLY  39   0.798  -4.094  -3.651
  230   1HA   GLY  39          2HA       GLY  39   1.319  -5.253  -6.235
  231   2HA   GLY  39          1HA       GLY  39   2.015  -5.805  -4.712
  232    H    ASN  40           HN       ASN  40   0.299  -6.960  -3.252
  233    HA   ASN  40           HA       ASN  40  -1.431  -8.699  -4.982
  234   1HB   ASN  40          2HB       ASN  40   0.828  -9.273  -3.217
  235   2HB   ASN  40          1HB       ASN  40  -0.602 -10.213  -2.788
  236   1HD2  ASN  40          2HD2      ASN  40   1.521 -11.507  -5.845
  237   2HD2  ASN  40          1HD2      ASN  40   2.104 -10.573  -4.552
   
  Start of MODEL   10
    1   1H    GLN   1          1H        GLN   1   6.209  -2.793 -10.857
    2   2H    GLN   1          3H        GLN   1   6.656  -3.357 -12.392
    3   3H    GLN   1          2H        GLN   1   6.678  -4.414 -11.062
    4    HA   GLN   1           HA       GLN   1   8.632  -3.594 -10.238
    5   1HB   GLN   1          2HB       GLN   1   8.642  -2.959 -13.208
    6   2HB   GLN   1          1HB       GLN   1  10.079  -3.240 -12.224
    7   1HG   GLN   1          2HG       GLN   1   8.164  -5.382 -11.854
    8   2HG   GLN   1          1HG       GLN   1   8.551  -5.185 -13.564
    9   1HE2  GLN   1          2HE2      GLN   1  11.814  -5.791 -11.132
   10   2HE2  GLN   1          1HE2      GLN   1  10.612  -4.694 -10.647
   11    H    ASN   2           H        ASN   2   7.330  -1.635  -9.196
   12    HA   ASN   2           HA       ASN   2   8.628   0.877 -10.187
   13   1HB   ASN   2          2HB       ASN   2   6.422   1.986  -9.565
   14   2HB   ASN   2          1HB       ASN   2   6.343   0.909 -10.960
   15   1HD2  ASN   2          2HD2      ASN   2   3.640  -0.711  -9.364
   16   2HD2  ASN   2          1HD2      ASN   2   4.180   0.150 -10.723
   17    H    GLU   3           H        GLU   3   9.282   2.284  -8.513
   18    HA   GLU   3           HA       GLU   3   9.454   1.091  -5.823
   19   1HB   GLU   3          2HB       GLU   3  10.700   3.257  -7.421
   20   2HB   GLU   3          1HB       GLU   3  10.619   3.552  -5.685
   21   1HG   GLU   3          2HG       GLU   3  11.427   0.895  -5.860
   22   2HG   GLU   3          1HG       GLU   3  12.310   1.689  -7.165
   23    H    GLY   4           H        GLY   4   7.692   1.374  -4.502
   24   1HA   GLY   4          2HA       GLY   4   5.888   3.655  -4.839
   25   2HA   GLY   4          1HA       GLY   4   5.731   2.379  -3.632
   26    H    HIS   5           H        HIS   5   5.997   3.108  -1.581
   27    HA   HIS   5           HA       HIS   5   8.239   4.902  -0.927
   28   1HB   HIS   5          2HB       HIS   5   6.331   6.384   0.247
   29   2HB   HIS   5          1HB       HIS   5   6.853   6.685  -1.407
   30    HD1  HIS   5           HD1      HIS   5   4.469   3.983  -0.109
   31    HD2  HIS   5           HD2      HIS   5   4.498   7.218  -2.726
   32    HE1  HIS   5           HE1      HIS   5   2.204   4.016  -1.236
   33    H    GLU   6           H        GLU   6   5.413   4.964   1.089
   34    HA   GLU   6           HA       GLU   6   6.569   2.780   2.785
   35   1HB   GLU   6          2HB       GLU   6   6.084   4.254   4.736
   36   2HB   GLU   6          1HB       GLU   6   7.245   4.987   3.628
   37   1HG   GLU   6          2HG       GLU   6   4.790   5.815   2.624
   38   2HG   GLU   6          1HG       GLU   6   4.566   5.892   4.371
   39    H    CYS   7           HN       CNP   7   4.905   1.256   2.432
   40    HA   CYS   7           HA       CNP   7   2.138   2.027   2.348
   41   1HB   CYS   7          2HB       CNP   7   2.503   0.188   1.054
   42   2HB   CYS   7          1HB       CNP   7   3.805  -0.413   1.992
   43    H    GLN   8           H        GLN   8   1.936   3.058   4.406
   44    HA   GLN   8           HA       GLN   8   2.282   1.372   6.812
   45   1HB   GLN   8          2HB       GLN   8   0.992   4.109   6.474
   46   2HB   GLN   8          1HB       GLN   8   1.622   3.413   7.967
   47   1HG   GLN   8          2HG       GLN   8   3.181   4.368   5.557
   48   2HG   GLN   8          1HG       GLN   8   3.300   4.935   7.222
   49   1HE2  GLN   8          2HE2      GLN   8   4.744   1.486   8.010
   50   2HE2  GLN   8          1HE2      GLN   8   3.229   2.166   8.359
   51    H    CYS   9           HN       CCU   9   0.467   0.966   4.322
   52    HA   CYS   9           HA       CCU   9  -2.230   1.371   4.765
   53   1HB   CYS   9          2HB       CCU   9  -0.652  -0.941   3.640
   54   2HB   CYS   9          1HB       CCU   9  -2.372  -0.723   3.443
   55    H    GLN  10           H        GLN  10  -3.655   0.692   6.122
   56    HA   GLN  10           HA       GLN  10  -3.008  -1.523   8.028
   57   1HB   GLN  10          2HB       GLN  10  -4.384   1.115   8.164
   58   2HB   GLN  10          1HB       GLN  10  -5.132  -0.186   9.092
   59   1HG   GLN  10          2HG       GLN  10  -2.804  -0.655  10.040
   60   2HG   GLN  10          1HG       GLN  10  -2.317   0.888   9.337
   61   1HE2  GLN  10          2HE2      GLN  10  -3.331   2.194  12.501
   62   2HE2  GLN  10          1HE2      GLN  10  -1.993   1.736  11.564
   63    H    CYS  11           HN       CNP  11  -4.296  -1.226   5.157
   64    HA   CYS  11           HA       CNP  11  -7.016  -1.868   5.178
   65   1HB   CYS  11          2HB       CNP  11  -4.797  -2.923   3.404
   66   2HB   CYS  11          1HB       CNP  11  -6.475  -2.727   2.979
   67    H    GLY  12           H        GLY  12  -7.000  -4.413   3.822
   68   1HA   GLY  12          2HA       GLY  12  -6.586  -6.230   6.155
   69   2HA   GLY  12          1HA       GLY  12  -7.786  -6.494   4.886
   70    H    SER  13           H        SER  13  -5.697  -5.525   2.893
   71    HA   SER  13           HA       SER  13  -4.302  -8.145   2.633
   72   1HB   SER  13          2HB       SER  13  -4.529  -7.837   0.335
   73   2HB   SER  13          1HB       SER  13  -5.938  -6.950   0.909
   74    HG   SER  13           HG       SER  13  -4.686  -5.720  -0.559
   75    H    CYS  14           HN       CCU  14  -3.704  -5.120   3.771
   76    HA   CYS  14           HA       CCU  14  -0.940  -4.954   2.757
   77   1HB   CYS  14          2HB       CCU  14  -3.016  -3.161   3.880
   78   2HB   CYS  14          1HB       CCU  14  -1.352  -2.749   4.190
   79    H    LYS  15           H        LYS  15  -2.885  -5.253   5.553
   80    HA   LYS  15           HA       LYS  15  -0.846  -5.052   7.579
   81   1HB   LYS  15          2HB       LYS  15  -2.601  -5.901   9.021
   82   2HB   LYS  15          1HB       LYS  15  -3.356  -4.842   7.828
   83   1HG   LYS  15          2HG       LYS  15  -4.757  -6.634   7.561
   84   2HG   LYS  15          1HG       LYS  15  -3.473  -7.186   6.486
   85   1HD   LYS  15          2HD       LYS  15  -3.239  -9.003   7.793
   86   2HD   LYS  15          1HD       LYS  15  -2.676  -7.942   9.084
   87   1HE   LYS  15          2HE       LYS  15  -4.506  -8.749  10.208
   88   2HE   LYS  15          1HE       LYS  15  -5.399  -7.572   9.224
   89   1HZ   LYS  15          1HZ       LYS  15  -4.711 -10.143   8.007
   90   2HZ   LYS  15          3HZ       LYS  15  -5.976 -10.127   9.137
   91   3HZ   LYS  15          2HZ       LYS  15  -6.067  -9.152   7.749
   92    H    ASN  16           H        ASN  16  -1.446  -7.454   5.245
   93    HA   ASN  16           HA       ASN  16   0.002  -9.501   6.895
   94   1HB   ASN  16          2HB       ASN  16  -2.496  -9.693   5.924
   95   2HB   ASN  16          1HB       ASN  16  -1.615 -10.238   4.496
   96   1HD2  ASN  16          2HD2      ASN  16  -1.815 -12.632   7.782
   97   2HD2  ASN  16          1HD2      ASN  16  -2.495 -11.078   7.795
   98    H    ASN  17           H        ASN  17  -0.197  -7.828   3.795
   99    HA   ASN  17           HA       ASN  17   2.062  -9.415   2.695
  100   1HB   ASN  17          2HB       ASN  17  -0.034  -7.535   1.715
  101   2HB   ASN  17          1HB       ASN  17   1.477  -7.581   0.809
  102   1HD2  ASN  17          2HD2      ASN  17   1.033 -11.054  -0.145
  103   2HD2  ASN  17          1HD2      ASN  17   2.247  -9.962   0.316
  104    H    GLU  18           H        GLU  18   3.795  -8.633   4.053
  105    HA   GLU  18           HA       GLU  18   4.316  -5.732   4.164
  106   1HB   GLU  18          2HB       GLU  18   5.932  -8.097   5.165
  107   2HB   GLU  18          1HB       GLU  18   6.084  -6.420   5.691
  108   1HG   GLU  18          2HG       GLU  18   3.986  -6.449   6.783
  109   2HG   GLU  18          1HG       GLU  18   3.470  -7.906   5.934
  110    H    GLN  19           H        GLN  19   4.673  -7.853   1.760
  111    HA   GLN  19           HA       GLN  19   7.462  -7.556   1.040
  112   1HB   GLN  19          2HB       GLN  19   5.035  -8.822   0.084
  113   2HB   GLN  19          1HB       GLN  19   5.912  -8.075  -1.252
  114   1HG   GLN  19          2HG       GLN  19   7.909  -9.307  -0.740
  115   2HG   GLN  19          1HG       GLN  19   7.236  -9.878   0.787
  116   1HE2  GLN  19          2HE2      GLN  19   6.807 -12.390  -2.102
  117   2HE2  GLN  19          1HE2      GLN  19   8.143 -11.423  -1.699
  118    H    CYS  20           HN       CCU  20   4.924  -5.418   1.090
  119    HA   CYS  20           HA       CCU  20   6.294  -3.575  -0.798
  120   1HB   CYS  20          2HB       CCU  20   4.041  -3.020  -1.643
  121   2HB   CYS  20          1HB       CCU  20   4.405  -4.719  -1.902
  122    H    GLN  21           H        GLN  21   5.892  -3.935   2.274
  123    HA   GLN  21           HA       GLN  21   4.214  -1.724   3.097
  124   1HB   GLN  21          2HB       GLN  21   4.687  -3.830   4.348
  125   2HB   GLN  21          1HB       GLN  21   6.359  -3.304   4.539
  126   1HG   GLN  21          2HG       GLN  21   5.662  -2.307   6.430
  127   2HG   GLN  21          1HG       GLN  21   4.929  -1.103   5.371
  128   1HE2  GLN  21          2HE2      GLN  21   2.356  -4.112   6.463
  129   2HE2  GLN  21          1HE2      GLN  21   3.901  -4.506   5.884
  130    H    LYS  22           H        LYS  22   6.998  -1.574   1.436
  131    HA   LYS  22           HA       LYS  22   7.789   0.993   2.719
  132   1HB   LYS  22          2HB       LYS  22  10.190   0.214   2.519
  133   2HB   LYS  22          1HB       LYS  22   9.235  -0.681   3.703
  134   1HG   LYS  22          2HG       LYS  22   9.081  -2.576   2.348
  135   2HG   LYS  22          1HG       LYS  22   9.378  -1.663   0.868
  136   1HD   LYS  22          2HD       LYS  22  11.649  -1.745   1.113
  137   2HD   LYS  22          1HD       LYS  22  11.565  -1.609   2.869
  138   1HE   LYS  22          2HE       LYS  22  10.695  -4.128   1.428
  139   2HE   LYS  22          1HE       LYS  22  12.367  -3.876   1.969
  140   1HZ   LYS  22          3HZ       LYS  22  11.301  -3.198   4.171
  141   2HZ   LYS  22          2HZ       LYS  22   9.900  -3.969   3.597
  142   3HZ   LYS  22          1HZ       LYS  22  11.338  -4.852   3.801
  143    H    SER  23           H        SER  23   6.694  -0.368   0.028
  144    HA   SER  23           HA       SER  23   7.907   1.660  -1.721
  145   1HB   SER  23          2HB       SER  23   8.362  -1.318  -2.096
  146   2HB   SER  23          1HB       SER  23   8.753  -0.097  -3.304
  147    HG   SER  23           HG       SER  23  10.480   0.371  -2.209
  148    H    CYS  24           HN       CNP  24   5.193   0.817  -0.758
  149    HA   CYS  24           HA       CNP  24   3.841  -0.453  -2.987
  150   1HB   CYS  24          2HB       CNP  24   2.195  -0.549  -1.375
  151   2HB   CYS  24          1HB       CNP  24   3.531  -0.201  -0.341
  152    H    SER  25           H        SER  25   2.431   0.622  -4.484
  153    HA   SER  25           HA       SER  25   3.049   3.513  -4.873
  154   1HB   SER  25          2HB       SER  25   3.284   1.620  -6.621
  155   2HB   SER  25          1HB       SER  25   1.525   1.652  -6.707
  156    HG   SER  25           HG       SER  25   1.599   3.549  -7.662
  157    H    CYS  26           HN       CCU  26   1.391   3.330  -2.754
  158    HA   CYS  26           HA       CCU  26  -1.434   3.356  -3.567
  159   1HB   CYS  26          2HB       CCU  26   0.201   3.518  -1.083
  160   2HB   CYS  26          1HB       CCU  26  -1.413   4.227  -1.022
  161    HA   PRO  27           HA       PRO  27  -1.184   7.755  -4.315
  162   1HB   PRO  27          2HB       PRO  27  -3.695   7.991  -5.363
  163   2HB   PRO  27          1HB       PRO  27  -2.329   7.346  -6.292
  164   1HG   PRO  27          2HG       PRO  27  -4.606   5.928  -5.058
  165   2HG   PRO  27          1HG       PRO  27  -3.649   5.510  -6.485
  166   1HD   PRO  27          2HD       PRO  27  -3.403   4.380  -3.933
  167   2HD   PRO  27          1HD       PRO  27  -2.249   4.216  -5.273
  168    H    THR  28           H        THR  28  -3.242   9.481  -3.879
  169    HA   THR  28           HA       THR  28  -3.770   9.120  -0.987
  170    HB   THR  28           HB       THR  28  -2.873  11.248  -1.979
  171    HG1  THR  28           HG1      THR  28  -5.236  11.060  -0.537
  172   1HG2  THR  28          2HG2      THR  28  -5.142  10.806  -3.735
  173   2HG2  THR  28          1HG2      THR  28  -5.192  12.419  -3.023
  174   3HG2  THR  28          3HG2      THR  28  -3.774  11.902  -3.935
  175    H    GLY  29           H        GLY  29  -5.127   7.310  -2.518
  176   1HA   GLY  29          2HA       GLY  29  -7.940   8.143  -2.038
  177   2HA   GLY  29          1HA       GLY  29  -7.521   7.368  -3.573
  178    H    CYS  30           HN       CCU  30  -5.619   6.377  -0.915
  179    HA   CYS  30           HA       CCU  30  -6.926   3.702  -0.965
  180   1HB   CYS  30          2HB       CCU  30  -4.385   4.466  -1.167
  181   2HB   CYS  30          1HB       CCU  30  -4.469   4.404   0.590
  182    H    ASN  31           H        ASN  31  -8.575   5.448   0.300
  183    HA   ASN  31           HA       ASN  31  -8.009   5.456   3.208
  184   1HB   ASN  31          2HB       ASN  31  -9.332   7.092   1.364
  185   2HB   ASN  31          1HB       ASN  31 -10.627   6.381   2.326
  186   1HD2  ASN  31          2HD2      ASN  31  -9.945   9.026   4.604
  187   2HD2  ASN  31          1HD2      ASN  31 -11.027   8.436   3.439
  188    H    SER  32           H        SER  32  -9.357   3.254   1.051
  189    HA   SER  32           HA       SER  32 -11.021   2.065   3.247
  190   1HB   SER  32          2HB       SER  32 -11.705   2.945   0.526
  191   2HB   SER  32          1HB       SER  32 -12.237   1.304   0.885
  192    HG   SER  32           HG       SER  32 -12.633   3.249   2.842
  193    H    ASP  33           H        ASP  33 -11.423  -0.327   2.812
  194    HA   ASP  33           HA       ASP  33  -8.890  -1.608   2.022
  195   1HB   ASP  33          2HB       ASP  33 -11.516  -2.689   3.099
  196   2HB   ASP  33          1HB       ASP  33 -10.008  -3.597   2.987
  197    H    ASP  34           H        ASP  34 -11.352  -0.496   0.241
  198    HA   ASP  34           HA       ASP  34 -11.183  -2.775  -1.688
  199   1HB   ASP  34          2HB       ASP  34 -13.575  -2.051  -2.299
  200   2HB   ASP  34          1HB       ASP  34 -13.388  -2.832  -0.728
  201    H    LYS  35           H        LYS  35  -9.517  -0.562  -1.560
  202    HA   LYS  35           HA       LYS  35  -9.795   0.480  -4.269
  203   1HB   LYS  35          2HB       LYS  35 -10.196   2.148  -1.778
  204   2HB   LYS  35          1HB       LYS  35  -9.586   2.888  -3.260
  205   1HG   LYS  35          2HG       LYS  35 -11.617   1.758  -4.412
  206   2HG   LYS  35          1HG       LYS  35 -12.258   1.576  -2.778
  207   1HD   LYS  35          2HD       LYS  35 -12.050   4.001  -2.412
  208   2HD   LYS  35          1HD       LYS  35 -11.387   4.195  -4.035
  209   1HE   LYS  35          2HE       LYS  35 -13.689   2.826  -4.593
  210   2HE   LYS  35          1HE       LYS  35 -14.194   3.797  -3.196
  211   1HZ   LYS  35          2HZ       LYS  35 -13.089   5.723  -4.285
  212   2HZ   LYS  35          1HZ       LYS  35 -12.885   4.771  -5.677
  213   3HZ   LYS  35          3HZ       LYS  35 -14.446   5.146  -5.129
  214    H    CYS  36           HN       CCU  36  -8.071  -1.174  -2.783
  215    HA   CYS  36           HA       CCU  36  -5.589   0.460  -2.435
  216   1HB   CYS  36          2HB       CCU  36  -6.469  -0.907  -0.567
  217   2HB   CYS  36          1HB       CCU  36  -6.350  -2.345  -1.574
  218    HA   PRO  37           HA       PRO  37  -4.647  -1.865  -6.263
  219   1HB   PRO  37          2HB       PRO  37  -3.478   0.221  -7.584
  220   2HB   PRO  37          1HB       PRO  37  -5.232  -0.046  -7.586
  221   1HG   PRO  37          2HG       PRO  37  -3.634   1.954  -6.121
  222   2HG   PRO  37          1HG       PRO  37  -5.305   2.037  -6.691
  223   1HD   PRO  37          2HD       PRO  37  -4.465   1.534  -4.058
  224   2HD   PRO  37          1HD       PRO  37  -6.105   1.320  -4.707
  225    H    CYS  38           HN       CCU  38  -3.173  -2.046  -3.870
  226    HA   CYS  38           HA       CCU  38  -0.515  -1.010  -3.952
  227   1HB   CYS  38          2HB       CCU  38  -2.096  -2.205  -2.174
  228   2HB   CYS  38          1HB       CCU  38  -1.226  -3.630  -2.711
  229    H    GLY  39           H        GLY  39   1.099  -3.207  -3.633
  230   1HA   GLY  39          2HA       GLY  39   1.890  -3.864  -6.267
  231   2HA   GLY  39          1HA       GLY  39   2.381  -4.770  -4.835
  232    H    ASN  40           HN       ASN  40   0.733  -6.368  -4.002
  233    HA   ASN  40           HA       ASN  40  -0.001  -8.289  -5.900
  234   1HB   ASN  40          2HB       ASN  40  -0.705  -7.562  -3.114
  235   2HB   ASN  40          1HB       ASN  40  -1.855  -8.627  -3.923
  236   1HD2  ASN  40          2HD2      ASN  40   0.203 -11.402  -3.303
  237   2HD2  ASN  40          1HD2      ASN  40  -1.363 -10.751  -3.382
   
   
  No H/Q in entry =         237