*HEADER   METALLOTHIONEIN                         31-JUL-97   1AQQ    
*TITLE    AG-SUBSTITUTED METALLOTHIONEIN FROM SACCHAROMYCES           
*TITLE   2 CEREVISIAE, NMR, 10 STRUCTURES                             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: AG-METALLOTHIONEIN;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: AG-MT;                                            
*COMPND  5 BIOLOGICAL_UNIT: MONOMER;                                  
*COMPND  6 OTHER_DETAILS: AG(I) SUBSTITUTED                           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;             
*SOURCE  3 ORGANISM_COMMON: BAKER'S YEAST;                            
*SOURCE  4 STRAIN: 301N                                               
*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 1AQQ    0                                      
 
!NOE data for Ag-MT

set message=off echo=off end
!
class     1a
assign (resid   20 and name AG   )(resid    7 and name SG   )  2.50 0.0 0.0
assign (resid   30 and name AG   )(resid   11 and name SG   )  2.50 0.0 0.0
assign (resid   38 and name AG   )(resid   14 and name SG   )  2.50 0.0 0.0
!assign (resid   49 and name AG   )(resid   14 and name SG   )  2.50 0.0 0.2
!assign (resid   50 and name AG   )(resid   26 and name SG   )  2.50 0.0 0.2
assign (resid    9 and name AG   )(resid    7 and name SG   )  2.50 0.2 0.2 
assign (resid    9 and name AG   )(resid   24 and name SG   )  2.50 0.2 0.2 
assign (resid   14 and name AG   )(resid   11 and name SG   )  2.50 0.2 0.2 
assign (resid   14 and name AG   )(resid   36 and name SG   )  2.50 0.2 0.2
assign (resid   26 and name AG   )(resid   24 and name SG   )  2.50 0.2 0.2
assign (resid   26 and name AG   )(resid   38 and name SG   )  2.50 0.2 0.2
assign (resid   36 and name AG   )(resid   30 and name SG   )  2.50 0.2 0.2 
assign (resid   36 and name AG   )(resid   26 and name SG   )  2.50 0.2 0.2 
scale     1a 500.
!
class     1b
assign (resid    7 and name SG   )(resid   20 and name SG   )  5.0 0.0 0.0!t?
assign (resid    7 and name SG   )(resid    9 and name SG   )  4.33 0.45 0.45
assign (resid    9 and name SG   )(resid   24 and name SG   )  4.33 0.45 0.45
assign (resid    7 and name SG   )(resid   24 and name SG   )  4.33 0.45 0.45
assign (resid   24 and name SG   )(resid   38 and name SG   )  4.33 0.45 0.45
assign (resid   38 and name SG   )(resid   14 and name SG   )  4.33 0.45 0.45
assign (resid   14 and name SG   )(resid   36 and name SG   )  4.33 0.45 0.45
assign (resid   11 and name SG   )(resid   14 and name SG   )  4.33 0.45 0.45
assign (resid   11 and name SG   )(resid   30 and name SG   )  5.0 0.0 0.0!t?
assign (resid   11 and name SG   )(resid   36 and name SG   )  4.33 0.45 0.45
assign (resid   30 and name SG   )(resid   26 and name SG   )  4.33 0.45 0.45 
assign (resid   30 and name SG   )(resid   36 and name SG   )  4.33 0.45 0.45
assign (resid   26 and name SG   )(resid   38 and name SG   )  4.33 0.45 0.45
assign (resid   26 and name SG   )(resid   36 and name SG   )  4.33 0.45 0.45
assign (resid   26 and name SG   )(resid   24 and name SG   )  4.33 0.45 0.45
assign (resid   20 and name AG   )(resid    9 and name AG   )  3.22 0.42 0.42
assign (resid    9 and name AG   )(resid   26 and name AG   )  3.22 0.42 0.42
assign (resid   26 and name AG   )(resid   38 and name AG   )  3.22 0.42 0.42
assign (resid   38 and name AG   )(resid   14 and name AG   )  3.22 0.42 0.42
assign (resid   14 and name AG   )(resid   30 and name AG   )  3.22 0.42 0.42
assign (resid   30 and name AG   )(resid   36 and name AG   )  3.22 0.42 0.42
assign (resid   36 and name AG   )(resid   14 and name AG   )  3.22 0.42 0.42
assign (resid   36 and name AG   )(resid   26 and name AG   )  3.22 0.42 0.42
scale     1b 1000.
!
class     1c
assign (resid   20 and name AG   )(resid   30 and name AG   )  2.3 0.0 20.0 
assign (resid   20 and name AG   )(resid   26 and name AG   )  2.3 0.0 20.0
assign (resid   20 and name AG   )(resid   14 and name AG   )  2.3 0.0 20.0
assign (resid   20 and name AG   )(resid   36 and name AG   )  2.3 0.0 20.0
assign (resid   20 and name AG   )(resid   38 and name AG   )  2.3 0.0 20.0
!assign (resid   20 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
assign (resid   30 and name AG   )(resid   26 and name AG   )  2.3 0.0 20.0
!assign (resid   30 and name AG   )(resid   14 and name AG   )  2.3 0.0 20.0
!assign (resid   30 and name AG   )(resid   36 and name AG   )  2.3 0.0 20.0
assign (resid   30 and name AG   )(resid   38 and name AG   )  2.3 0.0 20.0
assign (resid   30 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
assign (resid   26 and name AG   )(resid   14 and name AG   )  2.3 0.0 20.0
!assign (resid   26 and name AG   )(resid   36 and name AG   )  2.3 0.0 20.0
!assign (resid   26 and name AG   )(resid   38 and name AG   )  2.3 0.0 20.0
!assign (resid   26 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
!assign (resid   14 and name AG   )(resid   36 and name AG   )  2.3 0.0 20.0
!assign (resid   14 and name AG   )(resid   38 and name AG   )  2.3 0.0 20.0 
assign (resid   14 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
assign (resid   36 and name AG   )(resid   38 and name AG   )  2.3 0.0 20.0
assign (resid   36 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
assign (resid   38 and name AG   )(resid    9 and name AG   )  2.3 0.0 20.0
!
assign (resid    1 and name HA   )(resid    2 and name HN   )  1.8 0.0 1.8
assign (resid    1 and name HT*  )(resid    2 and name HN   )  1.8 0.0 2.8
assign (resid    2 and name HA   )(resid    3 and name HN   )  1.8 0.0 1.4
assign (resid    2 and name HB#  )(resid    3 and name HN   )  1.8 0.0 2.4
assign (resid    2 and name HN   )(resid    2 and name HB#  )  1.8 0.0 2.4
assign (resid    2 and name HD2# )(resid    2 and name HB#  )  1.8 0.0 3.4
assign (resid    3 and name HA   )(resid    4 and name HN   )  1.8 0.0 0.9
assign (resid    3 and name HA   )(resid    5 and name HE1  )  1.8 0.0 1.8
assign (resid    3 and name HN   )(resid    4 and name HN   )  1.8 0.0 1.8
assign (resid    3 and name HA   )(resid    5 and name HD2  )  1.8 0.0 1.8
assign (resid    3 and name HN   )(resid    3 and name HB#  )  1.8 0.0 1.9
assign (resid    3 and name HN   )(resid    3 and name HG#  )  1.8 0.0 2.4
assign (resid    3 and name HG#  )(resid    4 and name HN   )  1.8 0.0 2.4
assign (resid    4 and name HA#  )(resid    5 and name HN   )  1.8 0.0 1.9
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 1.9
assign (resid    5 and name HD2  )(resid   28 and name HG2# )  1.8 0.0 4.2
assign (resid    5 and name HE1  )(resid   28 and name HG2# )  1.8 0.0 4.2
assign (resid    5 and name HE1  )(resid   26 and name HB2  )  1.8 0.0 1.8
assign (resid    5 and name HE1  )(resid    8 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HD2  )(resid    8 and name HN   )  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 HB1  )  1.8 0.0 1.8
assign (resid    5 and name HE1  )(resid   26 and name HN   )  1.8 0.0 2.7
assign (resid    5 and name HN   )(resid   23 and name HA   )  1.8 0.0 2.7
assign (resid    5 and name HN   )(resid    5 and name HB#  )  1.8 0.0 2.4
assign (resid    5 and name HD2  )(resid    5 and name HB#  )  1.8 0.0 1.9
assign (resid    6 and name HA   )(resid    7 and name HN   )  1.8 0.0 1.8
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 2.4
assign (resid    6 and name HN   )(resid    6 and name HG#  )  1.8 0.0 2.4
assign (resid    6 and name HB#  )(resid    8 and name HE2# )  1.8 0.0 3.8
assign (resid    7 and name HN   )(resid    6 and name HG#  )  1.8 0.0 2.8
assign (resid    7 and name HN   )(resid    6 and name HB#  )  1.8 0.0 1.9
assign (resid    7 and name HN   )(resid   21 and name HA   )  1.8 0.0 2.7
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 HB1  )(resid    8 and name HN   )  1.8 0.0 2.7
assign (resid    7 and name HB2  )(resid    8 and name HN   )  1.8 0.0 2.7
assign (resid    7 and name HB1  )(resid   21 and name HA   )  1.8 0.0 0.9
assign (resid    7 and name HB1  )(resid    7 and name HN   )  1.8 0.0 0.9
assign (resid    7 and name HB2  )(resid    7 and name HN   )  1.8 0.0 0.9
assign (resid    8 and name HA   )(resid    9 and name HN   )  1.8 0.0 2.7
assign (resid    8 and name HN   )(resid    9 and name HN   )  1.8 0.0 0.9
assign (resid    8 and name HB#  )(resid    9 and name HN   )  1.8 0.0 2.4
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 2.4
assign (resid    8 and name HE2# )(resid    8 and name HG#  )  1.8 0.0 3.4
assign (resid    8 and name HE2# )(resid   28 and name HG2# )  1.8 0.0 3.8
assign (resid    8 and name HN   )(resid    9 and name HB2  )  1.8 0.0 2.7
assign (resid    9 and name HA   )(resid   10 and name HN   )  1.8 0.0 1.4
assign (resid    9 and name HN   )(resid   14 and name HB2  )  1.8 0.0 1.8
assign (resid    9 and name HN   )(resid   14 and name HB1  )  1.8 0.0 2.7
assign (resid    9 and name HB2  )(resid   14 and name HB1  )  1.8 0.0 1.8
assign (resid    9 and name HB2  )(resid   14 and name HB2  )  1.8 0.0 1.4
assign (resid    9 and name HB2  )(resid    9 and name HN   )  1.8 0.0 0.9
assign (resid    9 and name HB1  )(resid    9 and name HN   )  1.8 0.0 1.8
assign (resid   10 and name HA   )(resid   11 and name HN   )  1.8 0.0 1.4
assign (resid   10 and name HE2# )(resid   10 and name HG#  )  1.8 0.0 3.4
assign (resid   10 and name HN   )(resid   10 and name HB#  )  1.8 0.0 2.4
assign (resid   10 and name HN   )(resid   10 and name HG#  )  1.8 0.0 2.4
assign (resid   10 and name HE2# )(resid   10 and name HA   )  1.8 0.0 3.7
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 HA   )(resid   12 and name HN   )  1.8 0.0 0.9
assign (resid   11 and name HA   )(resid   13 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 HB2  )(resid   12 and name HN   )  1.8 0.0 1.4
assign (resid   11 and name HB2  )(resid   13 and name HN   )  1.8 0.0 2.7
assign (resid   11 and name HB2  )(resid   14 and name HN   )  1.8 0.0 2.7
assign (resid   12 and name HA#  )(resid   13 and name HN   )  1.8 0.0 2.4
assign (resid   12 and name HA#  )(resid   14 and name HN   )  1.8 0.0 2.8
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 HD#  )  1.8 0.0 3.7
assign (resid   12 and name HN   )(resid   15 and name HG#  )  1.8 0.0 3.7
assign (resid   12 and name HN   )(resid   15 and name HB#  )  1.8 0.0 3.7
assign (resid   13 and name HA   )(resid   14 and name HN   )  1.8 0.0 1.8
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 HB#  )(resid   14 and name HN   )  1.8 0.0 3.7
assign (resid   14 and name HA   )(resid   16 and name HN   )  1.8 0.0 2.7
assign (resid   14 and name HN   )(resid   15 and name HN   )  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   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   15 and name HA   )(resid   16 and name HN   )  1.8 0.0 2.7
assign (resid   15 and name HN   )(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   15 and name HE#  )(resid   16 and name HD2# )  1.8 0.0 3.4
assign (resid   15 and name HG#  )(resid   16 and name HD2# )  1.8 0.0 4.7
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 1.4
assign (resid   17 and name HN   )(resid   18 and name HN   )  1.8 0.0 2.7
assign (resid   17 and name HB#  )(resid   18 and name HN   )  1.8 0.0 3.7
assign (resid   16 and name HD2# )(resid   16 and name HB#  )  1.8 0.0 2.9
assign (resid   18 and name HA   )(resid   19 and name HN   )  1.8 0.0 1.4
assign (resid   18 and name HA   )(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 1.4
assign (resid   18 and name HN   )(resid   19 and name HN   )  1.8 0.0 1.4
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 1.9
assign (resid   18 and name HA   )(resid   21 and name HG#  )  1.8 0.0 1.9
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 0.9
assign (resid   19 and name HN   )(resid   21 and name HN   )  1.8 0.0 2.7
assign (resid   19 and name HB#  )(resid   20 and name HN   )  1.8 0.0 1.9
assign (resid   19 and name HE2# )(resid   19 and name HG#  )  1.8 0.0 2.9
assign (resid   19 and name HN   )(resid   19 and name HB#  )  1.8 0.0 1.9
assign (resid   19 and name HN   )(resid   19 and name HG#  )  1.8 0.0 2.4
assign (resid   20 and name HA   )(resid   21 and name HN   )  1.8 0.0 2.7
assign (resid   20 and name HA   )(resid   23 and name HN   )  1.8 0.0 2.7
assign (resid   20 and name HN   )(resid   21 and name HN   )  1.8 0.0 1.4
assign (resid   20 and name HN   )(resid   22 and name HN   )  1.8 0.0 2.7
assign (resid   20 and name HN   )(resid   20 and name HB1  )  1.8 0.0 0.9
assign (resid   20 and name HN   )(resid   20 and name HB2  )  1.8 0.0 1.8
assign (resid   21 and name HA   )(resid   22 and name HN   )  1.8 0.0 1.8
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 2.4
assign (resid   21 and name HE2# )(resid   21 and name HG#  )  1.8 0.0 3.4
assign (resid   21 and name HE2# )(resid   21 and name HA   )  1.8 0.0 3.7
assign (resid   21 and name HN   )(resid   22 and name HD#  )  1.8 0.0 3.7
assign (resid   21 and name HN   )(resid   21 and name HB#  )  1.8 0.0 1.9
assign (resid   21 and name HN   )(resid   21 and name HG#  )  1.8 0.0 1.9
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 0.9
assign (resid   22 and name HB#  )(resid   23 and name HN   )  1.8 0.0 2.4
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 1.9
assign (resid   23 and name HA   )(resid   24 and name HN   )  1.8 0.0 0.9
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 2.8
assign (resid   23 and name HB#  )(resid   40 and name HD2# )  1.8 0.0 3.8
assign (resid   23 and name HN   )(resid   23 and name HB#  )  1.8 0.0 1.9
assign (resid   24 and name HA   )(resid   25 and name HN   )  1.8 0.0 0.9
assign (resid   24 and name HA   )(resid   26 and name HN   )  1.8 0.0 1.8
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   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 1.4
assign (resid   25 and name HB#  )(resid   26 and name HN   )  1.8 0.0 3.7
assign (resid   25 and name HN   )(resid   25 and name HB#  )  1.8 0.0 2.4
assign (resid   26 and name HN   )(resid   26 and name HB1  )  1.8 0.0 1.4
assign (resid   26 and name HN   )(resid   26 and name HB2  )  1.8 0.0 0.9
assign (resid   26 and name HN   )(resid   27 and name HD#  )  1.8 0.0 2.8
assign (resid   26 and name HB1  )(resid   30 and name HN   )  1.8 0.0 1.8
assign (resid   27 and name HA   )(resid   28 and name HN   )  1.8 0.0 0.9
assign (resid   27 and name HA   )(resid   29 and name HN   )  1.8 0.0 2.7
assign (resid   27 and name HA   )(resid   28 and name HA   )  1.8 0.0 2.7
assign (resid   27 and name HA   )(resid   28 and name HG2# )  1.8 0.0 3.7
assign (resid   27 and name HB#  )(resid   28 and name HN   )  1.8 0.0 2.4
assign (resid   27 and name HG#  )(resid   28 and name HN   )  1.8 0.0 3.7
assign (resid   27 and name HD#  )(resid   30 and name HN   )  1.8 0.0 3.7
assign (resid   27 and name HD#  )(resid   30 and name HB#  )  1.8 0.0 4.7
assign (resid   27 and name HG#  )(resid   30 and name HN   )  1.8 0.0 3.7
assign (resid   27 and name HB#  )(resid   30 and name HN   )  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 HA   )(resid   30 and name HN   )  1.8 0.0 1.4
assign (resid   28 and name HN   )(resid   29 and name HN   )  1.8 0.0 2.7
assign (resid   28 and name HN   )(resid   30 and name HN   )  1.8 0.0 2.7
assign (resid   28 and name HG2# )(resid   30 and name HN   )  1.8 0.0 4.2
assign (resid   28 and name HG2# )(resid   29 and name HN   )  1.8 0.0 3.3
assign (resid   28 and name HN   )(resid   28 and name HB   )  1.8 0.0 1.8
assign (resid   28 and name HN   )(resid   28 and name HG2# )  1.8 0.0 3.3
assign (resid   29 and name HA#  )(resid   30 and name HN   )  1.8 0.0 2.4
assign (resid   29 and name HA#  )(resid   31 and name HD2# )  1.8 0.0 3.8
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 HA   )(resid   32 and name HN   )  1.8 0.0 2.7
assign (resid   30 and name HN   )(resid   31 and name HN   )  1.8 0.0 2.7
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 1.9
assign (resid   31 and name HN   )(resid   32 and name HB#  )  1.8 0.0 3.7
assign (resid   31 and name HN   )(resid   31 and name HD2# )  1.8 0.0 3.7
assign (resid   31 and name HB#  )(resid   31 and name HD2# )  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 HA   )(resid   34 and name HN   )  1.8 0.0 2.7
assign (resid   32 and name HN   )(resid   33 and name HN   )  1.8 0.0 2.7
assign (resid   32 and name HB#  )(resid   33 and name HN   )  1.8 0.0 2.8
assign (resid   32 and name HB#  )(resid   34 and name HN   )  1.8 0.0 3.7
assign (resid   32 and name HN   )(resid   32 and name HB#  )  1.8 0.0 1.9
assign (resid   33 and name HA   )(resid   34 and name HN   )  1.8 0.0 1.8
assign (resid   33 and name HN   )(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 1.9
assign (resid   34 and name HA   )(resid   35 and name HN   )  1.8 0.0 0.9
assign (resid   34 and name HN   )(resid   36 and name HN   )  1.8 0.0 2.7
assign (resid   34 and name HA   )(resid   36 and name HN   )  1.8 0.0 1.4
assign (resid   34 and name HN   )(resid   34 and name HB#  )  1.8 0.0 1.9
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 1.4
assign (resid   36 and name HA   )(resid   38 and name HN   )  1.8 0.0 1.8
assign (resid   36 and name HN   )(resid   37 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 HB1  )(resid   38 and name HN   )  1.8 0.0 1.8
assign (resid   36 and name HB2  )(resid   38 and name HN   )  1.8 0.0 2.7
assign (resid   37 and name HA   )(resid   38 and name HN   )  1.8 0.0 0.9
assign (resid   37 and name HB#  )(resid   38 and name HN   )  1.8 0.0 2.8
assign (resid   37 and name HG#  )(resid   38 and name HN   )  1.8 0.0 3.7
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 HA   )(resid   40 and name HN   )  1.8 0.0 1.4
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 1.8
assign (resid   39 and name HN   )(resid   40 and name HD2# )  1.8 0.0 2.8
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
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  -3.817  10.590  -4.190
    2   2H    GLN   1          1H        GLN   1  -3.511  11.418  -5.643
    3   3H    GLN   1          3H        GLN   1  -4.589  10.108  -5.626
    4    HA   GLN   1           HA       GLN   1  -2.849   8.547  -5.245
    5   1HB   GLN   1          2HB       GLN   1  -2.553  10.673  -7.346
    6   2HB   GLN   1          1HB       GLN   1  -1.350   9.385  -7.262
    7   1HG   GLN   1          2HG       GLN   1  -2.825   7.776  -7.952
    8   2HG   GLN   1          1HG       GLN   1  -4.187   8.521  -7.114
    9   1HE2  GLN   1          2HE2      GLN   1  -4.430   8.974 -10.899
   10   2HE2  GLN   1          1HE2      GLN   1  -4.090   7.601  -9.960
   11    H    ASN   2           H        ASN   2  -2.337  10.236  -3.067
   12    HA   ASN   2           HA       ASN   2   0.407  11.300  -3.321
   13   1HB   ASN   2          2HB       ASN   2  -1.847  11.312  -1.356
   14   2HB   ASN   2          1HB       ASN   2  -0.221  11.582  -0.727
   15   1HD2  ASN   2          2HD2      ASN   2  -0.846  14.992  -1.554
   16   2HD2  ASN   2          1HD2      ASN   2  -0.740  13.869  -0.285
   17    H    GLU   3           H        GLU   3   1.977   9.700  -3.330
   18    HA   GLU   3           HA       GLU   3   1.783   7.579  -1.203
   19   1HB   GLU   3          2HB       GLU   3   2.885   6.101  -2.826
   20   2HB   GLU   3          1HB       GLU   3   1.483   6.830  -3.605
   21   1HG   GLU   3          2HG       GLU   3   3.858   8.493  -3.887
   22   2HG   GLU   3          1HG       GLU   3   4.097   6.883  -4.568
   23    H    GLY   4           H        GLY   4   2.981  10.161  -0.973
   24   1HA   GLY   4          2HA       GLY   4   5.907   9.673  -1.071
   25   2HA   GLY   4          1HA       GLY   4   5.129  11.190  -0.585
   26    H    HIS   5           H        HIS   5   4.684   7.826   0.449
   27    HA   HIS   5           HA       HIS   5   5.289   8.661   3.258
   28   1HB   HIS   5          2HB       HIS   5   3.213   7.504   3.888
   29   2HB   HIS   5          1HB       HIS   5   2.867   8.737   2.684
   30    HD1  HIS   5           HD1      HIS   5   4.383   5.953   0.894
   31    HD2  HIS   5           HD2      HIS   5   0.568   6.775   2.261
   32    HE1  HIS   5           HE1      HIS   5   2.838   4.268  -0.175
   33    H    GLU   6           H        GLU   6   5.079   6.465   4.633
   34    HA   GLU   6           HA       GLU   6   6.859   4.486   3.303
   35   1HB   GLU   6          2HB       GLU   6   6.908   3.519   5.621
   36   2HB   GLU   6          1HB       GLU   6   7.465   5.191   5.561
   37   1HG   GLU   6          2HG       GLU   6   4.621   5.191   5.908
   38   2HG   GLU   6          1HG       GLU   6   5.331   4.115   7.110
   39    H    CYS   7           HN       CNP   7   5.846   2.701   2.416
   40    HA   CYS   7           HA       CNP   7   3.085   2.436   2.138
   41   1HB   CYS   7          2HB       CNP   7   4.811   1.125   0.944
   42   2HB   CYS   7          1HB       CNP   7   5.114   0.190   2.403
   43    H    GLN   8           H        GLN   8   1.602   2.468   3.771
   44    HA   GLN   8           HA       GLN   8   2.297   0.989   6.296
   45   1HB   GLN   8          2HB       GLN   8   0.624   3.436   5.685
   46   2HB   GLN   8          1HB       GLN   8   0.594   2.636   7.257
   47   1HG   GLN   8          2HG       GLN   8   3.323   3.043   6.369
   48   2HG   GLN   8          1HG       GLN   8   2.441   4.570   6.393
   49   1HE2  GLN   8          2HE2      GLN   8   3.571   4.384   9.835
   50   2HE2  GLN   8          1HE2      GLN   8   4.101   4.878   8.299
   51    H    CYS   9           HN       CAG   9   1.061  -0.266   3.941
   52    HA   CYS   9           HA       CAG   9  -1.796  -0.526   4.399
   53   1HB   CYS   9          2HB       CAG   9   0.395  -1.846   2.852
   54   2HB   CYS   9          1HB       CAG   9  -1.196  -2.613   2.895
   55    H    GLN  10           H        GLN  10  -2.845  -2.170   5.609
   56    HA   GLN  10           HA       GLN  10  -1.166  -3.574   7.601
   57   1HB   GLN  10          2HB       GLN  10  -3.858  -2.548   7.333
   58   2HB   GLN  10          1HB       GLN  10  -3.912  -4.238   7.838
   59   1HG   GLN  10          2HG       GLN  10  -2.323  -3.731   9.671
   60   2HG   GLN  10          1HG       GLN  10  -2.313  -2.036   9.181
   61   1HE2  GLN  10          2HE2      GLN  10  -4.909  -1.714  11.609
   62   2HE2  GLN  10          1HE2      GLN  10  -3.261  -1.441  11.300
   63    H    CYS  11           HN       CNP  11  -1.409  -4.302   4.605
   64    HA   CYS  11           HA       CNP  11  -2.644  -6.949   4.643
   65   1HB   CYS  11          2HB       CNP  11  -0.968  -5.749   2.457
   66   2HB   CYS  11          1HB       CNP  11  -2.400  -6.728   2.341
   67    H    GLY  12           H        GLY  12  -0.985  -8.345   3.026
   68   1HA   GLY  12          2HA       GLY  12   1.525  -8.645   4.615
   69   2HA   GLY  12          1HA       GLY  12   0.724  -9.975   3.767
   70    H    SER  13           H        SER  13   0.125  -7.868   1.582
   71    HA   SER  13           HA       SER  13   2.389  -8.512  -0.122
   72   1HB   SER  13          2HB       SER  13   0.169  -8.348  -1.043
   73   2HB   SER  13          1HB       SER  13  -0.068  -6.750  -0.339
   74    HG   SER  13           HG       SER  13   0.540  -6.884  -2.650
   75    H    CYS  14           HN       CAG  14   1.358  -5.694   1.782
   76    HA   CYS  14           HA       CAG  14   3.468  -3.991   0.668
   77   1HB   CYS  14          2HB       CAG  14   1.241  -3.790   2.717
   78   2HB   CYS  14          1HB       CAG  14   2.404  -2.528   2.491
   79    H    LYS  15           H        LYS  15   2.555  -5.531   3.727
   80    HA   LYS  15           HA       LYS  15   4.604  -4.696   5.428
   81   1HB   LYS  15          2HB       LYS  15   3.760  -6.382   6.773
   82   2HB   LYS  15          1HB       LYS  15   2.484  -6.340   5.563
   83   1HG   LYS  15          2HG       LYS  15   3.414  -8.229   4.396
   84   2HG   LYS  15          1HG       LYS  15   4.884  -8.183   5.368
   85   1HD   LYS  15          2HD       LYS  15   2.347  -8.410   6.886
   86   2HD   LYS  15          1HD       LYS  15   2.800  -9.818   5.926
   87   1HE   LYS  15          2HE       LYS  15   4.465 -10.365   7.368
   88   2HE   LYS  15          1HE       LYS  15   5.087  -8.703   7.376
   89   1HZ   LYS  15          1HZ       LYS  15   3.251  -8.072   8.832
   90   2HZ   LYS  15          3HZ       LYS  15   2.700  -9.675   8.859
   91   3HZ   LYS  15          2HZ       LYS  15   4.202  -9.284   9.548
   92    H    ASN  16           H        ASN  16   4.720  -7.370   3.045
   93    HA   ASN  16           HA       ASN  16   7.651  -7.638   3.612
   94   1HB   ASN  16          2HB       ASN  16   5.785  -9.510   3.814
   95   2HB   ASN  16          1HB       ASN  16   6.027  -9.630   2.072
   96   1HD2  ASN  16          2HD2      ASN  16   8.967 -10.903   4.612
   97   2HD2  ASN  16          1HD2      ASN  16   7.637 -10.039   5.215
   98    H    ASN  17           H        ASN  17   5.521  -8.249   0.780
   99    HA   ASN  17           HA       ASN  17   7.446  -8.007  -1.233
  100   1HB   ASN  17          2HB       ASN  17   4.723  -8.312  -1.049
  101   2HB   ASN  17          1HB       ASN  17   4.852  -6.725  -1.809
  102   1HD2  ASN  17          2HD2      ASN  17   5.754  -8.061  -4.929
  103   2HD2  ASN  17          1HD2      ASN  17   5.203  -6.726  -4.037
  104    H    GLU  18           H        GLU  18   8.960  -6.375  -1.115
  105    HA   GLU  18           HA       GLU  18   8.203  -3.618  -0.491
  106   1HB   GLU  18          2HB       GLU  18  10.653  -3.267  -0.913
  107   2HB   GLU  18          1HB       GLU  18  10.336  -4.568   0.236
  108   1HG   GLU  18          2HG       GLU  18  10.273  -5.764  -2.321
  109   2HG   GLU  18          1HG       GLU  18  11.678  -4.697  -2.321
  110    H    GLN  19           H        GLN  19   7.597  -5.378  -3.133
  111    HA   GLN  19           HA       GLN  19   8.622  -3.614  -5.220
  112   1HB   GLN  19          2HB       GLN  19   7.277  -6.166  -4.935
  113   2HB   GLN  19          1HB       GLN  19   6.547  -5.211  -6.226
  114   1HG   GLN  19          2HG       GLN  19   9.486  -5.133  -6.218
  115   2HG   GLN  19          1HG       GLN  19   8.819  -6.742  -6.500
  116   1HE2  GLN  19          2HE2      GLN  19   7.169  -5.758  -9.565
  117   2HE2  GLN  19          1HE2      GLN  19   6.973  -6.776  -8.221
  118    H    CYS  20           HN       CAG  20   5.933  -3.670  -3.186
  119    HA   CYS  20           HA       CAG  20   4.513  -1.632  -4.842
  120   1HB   CYS  20          2HB       CAG  20   2.501  -2.586  -3.897
  121   2HB   CYS  20          1HB       CAG  20   3.504  -3.910  -4.481
  122    H    GLN  21           H        GLN  21   6.304  -2.114  -2.024
  123    HA   GLN  21           HA       GLN  21   4.897  -0.117  -0.349
  124   1HB   GLN  21          2HB       GLN  21   6.347  -0.901   1.312
  125   2HB   GLN  21          1HB       GLN  21   6.164  -2.320   0.285
  126   1HG   GLN  21          2HG       GLN  21   8.269  -1.806  -0.854
  127   2HG   GLN  21          1HG       GLN  21   8.440  -0.327   0.089
  128   1HE2  GLN  21          2HE2      GLN  21   8.521  -3.574   2.554
  129   2HE2  GLN  21          1HE2      GLN  21   7.163  -3.261   1.584
  130    H    LYS  22           H        LYS  22   6.413   0.340  -3.037
  131    HA   LYS  22           HA       LYS  22   8.592   2.132  -2.298
  132   1HB   LYS  22          2HB       LYS  22   7.291   1.310  -4.880
  133   2HB   LYS  22          1HB       LYS  22   8.699   2.370  -4.797
  134   1HG   LYS  22          2HG       LYS  22  10.094   0.677  -3.991
  135   2HG   LYS  22          1HG       LYS  22   8.744  -0.277  -3.375
  136   1HD   LYS  22          2HD       LYS  22   9.728  -1.279  -5.425
  137   2HD   LYS  22          1HD       LYS  22   8.043  -0.813  -5.661
  138   1HE   LYS  22          2HE       LYS  22   8.885   1.380  -6.632
  139   2HE   LYS  22          1HE       LYS  22  10.513   0.673  -6.612
  140   1HZ   LYS  22          3HZ       LYS  22   9.138  -1.333  -7.658
  141   2HZ   LYS  22          2HZ       LYS  22   8.202  -0.041  -8.238
  142   3HZ   LYS  22          1HZ       LYS  22   9.858  -0.128  -8.609
  143    H    SER  23           H        SER  23   5.928   2.645  -4.453
  144    HA   SER  23           HA       SER  23   5.519   5.354  -3.235
  145   1HB   SER  23          2HB       SER  23   5.409   4.887  -6.203
  146   2HB   SER  23          1HB       SER  23   5.736   6.384  -5.333
  147    HG   SER  23           HG       SER  23   7.613   5.348  -6.270
  148    H    CYS  24           HN       CNP  24   3.777   3.319  -2.600
  149    HA   CYS  24           HA       CNP  24   1.456   3.332  -4.368
  150   1HB   CYS  24          2HB       CNP  24   0.881   1.583  -2.986
  151   2HB   CYS  24          1HB       CNP  24   2.598   1.605  -2.708
  152    H    SER  25           H        SER  25  -0.180   4.842  -4.232
  153    HA   SER  25           HA       SER  25   0.110   7.045  -2.319
  154   1HB   SER  25          2HB       SER  25  -2.110   6.413  -4.295
  155   2HB   SER  25          1HB       SER  25  -1.747   7.987  -3.593
  156    HG   SER  25           HG       SER  25  -0.840   7.170  -5.809
  157    H    CYS  26           HN       CAG  26  -0.776   4.146  -1.489
  158    HA   CYS  26           HA       CAG  26  -3.402   4.140  -0.528
  159   1HB   CYS  26          2HB       CAG  26  -0.705   3.104   0.277
  160   2HB   CYS  26          1HB       CAG  26  -2.069   2.865   1.367
  161    HA   PRO  27           HA       PRO  27  -2.910   7.746   2.146
  162   1HB   PRO  27          2HB       PRO  27  -5.528   7.812   2.968
  163   2HB   PRO  27          1HB       PRO  27  -4.990   8.499   1.421
  164   1HG   PRO  27          2HG       PRO  27  -6.265   5.857   1.974
  165   2HG   PRO  27          1HG       PRO  27  -6.568   7.000   0.654
  166   1HD   PRO  27          2HD       PRO  27  -5.064   4.788   0.311
  167   2HD   PRO  27          1HD       PRO  27  -4.723   6.306  -0.554
  168    H    THR  28           H        THR  28  -1.641   6.754   3.650
  169    HA   THR  28           HA       THR  28  -1.655   4.614   5.159
  170    HB   THR  28           HB       THR  28  -0.783   6.063   7.070
  171    HG1  THR  28           HG1      THR  28  -2.301   7.817   6.279
  172   1HG2  THR  28          3HG2      THR  28   0.149   6.628   4.243
  173   2HG2  THR  28          2HG2      THR  28   1.107   6.887   5.702
  174   3HG2  THR  28          1HG2      THR  28   0.633   5.253   5.235
  175    H    GLY  29           H        GLY  29  -3.756   4.170   4.942
  176   1HA   GLY  29          2HA       GLY  29  -5.200   4.022   7.430
  177   2HA   GLY  29          1HA       GLY  29  -6.079   4.898   6.168
  178    H    CYS  30           HN       CAG  30  -4.447   3.058   4.137
  179    HA   CYS  30           HA       CAG  30  -6.530   1.279   3.516
  180   1HB   CYS  30          2HB       CAG  30  -4.391   1.998   2.275
  181   2HB   CYS  30          1HB       CAG  30  -3.598   0.680   3.133
  182    H    ASN  31           H        ASN  31  -7.385  -0.217   4.859
  183    HA   ASN  31           HA       ASN  31  -5.534  -2.103   6.260
  184   1HB   ASN  31          2HB       ASN  31  -7.030  -1.902   8.249
  185   2HB   ASN  31          1HB       ASN  31  -6.264  -0.367   7.840
  186   1HD2  ASN  31          2HD2      ASN  31  -9.476   1.092   7.878
  187   2HD2  ASN  31          1HD2      ASN  31  -7.902   1.092   8.513
  188    H    SER  32           H        SER  32  -7.200  -2.301   3.790
  189    HA   SER  32           HA       SER  32  -8.899  -4.611   4.649
  190   1HB   SER  32          2HB       SER  32 -10.383  -2.745   4.305
  191   2HB   SER  32          1HB       SER  32  -9.556  -2.286   2.819
  192    HG   SER  32           HG       SER  32 -11.634  -3.674   2.850
  193    H    ASP  33           H        ASP  33  -9.146  -6.231   2.961
  194    HA   ASP  33           HA       ASP  33  -6.799  -6.436   1.212
  195   1HB   ASP  33          2HB       ASP  33  -9.213  -8.164   1.821
  196   2HB   ASP  33          1HB       ASP  33  -7.941  -8.658   0.703
  197    H    ASP  34           H        ASP  34 -10.323  -6.045   0.796
  198    HA   ASP  34           HA       ASP  34  -9.983  -5.872  -2.124
  199   1HB   ASP  34          2HB       ASP  34 -12.507  -5.582  -0.473
  200   2HB   ASP  34          1HB       ASP  34 -12.395  -6.024  -2.179
  201    H    LYS  35           H        LYS  35  -8.919  -3.930  -0.319
  202    HA   LYS  35           HA       LYS  35 -10.049  -1.524  -1.607
  203   1HB   LYS  35          2HB       LYS  35 -10.717  -2.076   0.940
  204   2HB   LYS  35          1HB       LYS  35  -9.135  -1.359   1.243
  205   1HG   LYS  35          2HG       LYS  35  -9.784   0.732   0.497
  206   2HG   LYS  35          1HG       LYS  35 -10.990   0.076  -0.610
  207   1HD   LYS  35          2HD       LYS  35 -12.146  -0.720   1.638
  208   2HD   LYS  35          1HD       LYS  35 -11.206   0.603   2.331
  209   1HE   LYS  35          2HE       LYS  35 -12.332   1.640  -0.046
  210   2HE   LYS  35          1HE       LYS  35 -13.636   0.759   0.775
  211   1HZ   LYS  35          1HZ       LYS  35 -12.472   1.886   2.857
  212   2HZ   LYS  35          3HZ       LYS  35 -12.088   3.057   1.693
  213   3HZ   LYS  35          2HZ       LYS  35 -13.713   2.657   1.989
  214    H    CYS  36           HN       CAG  36  -7.870  -3.335  -1.996
  215    HA   CYS  36           HA       CAG  36  -5.569  -1.438  -1.761
  216   1HB   CYS  36          2HB       CAG  36  -5.770  -3.491  -0.176
  217   2HB   CYS  36          1HB       CAG  36  -5.312  -4.395  -1.602
  218    HA   PRO  37           HA       PRO  37  -5.875  -3.271  -5.890
  219   1HB   PRO  37          2HB       PRO  37  -6.714  -1.021  -7.256
  220   2HB   PRO  37          1HB       PRO  37  -7.827  -2.220  -6.570
  221   1HG   PRO  37          2HG       PRO  37  -7.301   0.496  -5.685
  222   2HG   PRO  37          1HG       PRO  37  -8.599  -0.607  -5.217
  223   1HD   PRO  37          2HD       PRO  37  -6.181   0.053  -3.786
  224   2HD   PRO  37          1HD       PRO  37  -7.577  -0.910  -3.251
  225    H    CYS  38           HN       CAG  38  -3.817  -2.258  -4.245
  226    HA   CYS  38           HA       CAG  38  -2.231  -0.303  -5.769
  227   1HB   CYS  38          2HB       CAG  38  -2.107  -0.139  -3.494
  228   2HB   CYS  38          1HB       CAG  38  -2.084  -1.869  -3.222
  229    H    GLY  39           H        GLY  39  -0.605  -0.667  -6.936
  230   1HA   GLY  39          2HA       GLY  39   0.561  -3.386  -7.241
  231   2HA   GLY  39          1HA       GLY  39  -0.011  -2.547  -8.690
  232    H    ASN  40           HN       ASN  40   1.058  -0.316  -6.404
  233    HA   ASN  40           HA       ASN  40   3.899  -0.385  -7.289
  234   1HB   ASN  40          2HB       ASN  40   3.563   2.061  -8.030
  235   2HB   ASN  40          1HB       ASN  40   2.892   0.816  -9.085
  236   1HD2  ASN  40          2HD2      ASN  40   0.281   3.038  -6.799
  237   2HD2  ASN  40          1HD2      ASN  40   1.874   2.822  -6.253
   
  Start of MODEL    2
    1   1H    GLN   1          1H        GLN   1   0.363  11.568   1.894
    2   2H    GLN   1          3H        GLN   1  -0.512  12.924   2.416
    3   3H    GLN   1          2H        GLN   1  -0.897  11.383   3.018
    4    HA   GLN   1           HA       GLN   1  -2.345  11.060   1.374
    5   1HB   GLN   1          2HB       GLN   1  -2.468  13.556   1.656
    6   2HB   GLN   1          1HB       GLN   1  -1.311  13.718   0.336
    7   1HG   GLN   1          2HG       GLN   1  -3.087  13.705  -1.057
    8   2HG   GLN   1          1HG       GLN   1  -3.240  11.988  -0.685
    9   1HE2  GLN   1          2HE2      GLN   1  -6.457  13.802   0.154
   10   2HE2  GLN   1          1HE2      GLN   1  -5.506  13.740  -1.251
   11    H    ASN   2           H        ASN   2   0.623  12.482  -0.051
   12    HA   ASN   2           HA       ASN   2   0.388  11.205  -2.604
   13   1HB   ASN   2          2HB       ASN   2   2.792  11.827  -2.756
   14   2HB   ASN   2          1HB       ASN   2   1.822  13.143  -2.094
   15   1HD2  ASN   2          2HD2      ASN   2   4.341  13.205   0.434
   16   2HD2  ASN   2          1HD2      ASN   2   3.780  13.969  -0.976
   17    H    GLU   3           H        GLU   3   2.450   9.675  -3.217
   18    HA   GLU   3           HA       GLU   3   2.226   7.335  -1.363
   19   1HB   GLU   3          2HB       GLU   3   2.883   6.075  -3.435
   20   2HB   GLU   3          1HB       GLU   3   1.451   7.067  -3.702
   21   1HG   GLU   3          2HG       GLU   3   2.492   8.313  -5.260
   22   2HG   GLU   3          1HG       GLU   3   3.881   8.578  -4.206
   23    H    GLY   4           H        GLY   4   3.985   9.548  -0.925
   24   1HA   GLY   4          2HA       GLY   4   6.683   8.311  -1.320
   25   2HA   GLY   4          1HA       GLY   4   6.409  10.017  -0.920
   26    H    HIS   5           H        HIS   5   5.058   7.025   0.345
   27    HA   HIS   5           HA       HIS   5   5.903   7.853   3.111
   28   1HB   HIS   5          2HB       HIS   5   3.655   7.045   3.768
   29   2HB   HIS   5          1HB       HIS   5   3.536   8.303   2.540
   30    HD1  HIS   5           HD1      HIS   5   4.666   5.325   0.832
   31    HD2  HIS   5           HD2      HIS   5   0.958   6.683   2.096
   32    HE1  HIS   5           HE1      HIS   5   2.941   3.931  -0.335
   33    H    GLU   6           H        GLU   6   5.023   5.742   4.521
   34    HA   GLU   6           HA       GLU   6   6.694   3.480   3.569
   35   1HB   GLU   6          2HB       GLU   6   6.181   2.648   5.897
   36   2HB   GLU   6          1HB       GLU   6   6.982   4.219   5.874
   37   1HG   GLU   6          2HG       GLU   6   4.140   4.614   5.692
   38   2HG   GLU   6          1HG       GLU   6   4.489   3.565   7.065
   39    H    CYS   7           HN       CNP   7   5.669   1.674   2.694
   40    HA   CYS   7           HA       CNP   7   3.016   1.658   1.824
   41   1HB   CYS   7          2HB       CNP   7   4.724   0.042   1.137
   42   2HB   CYS   7          1HB       CNP   7   4.741  -0.667   2.749
   43    H    GLN   8           H        GLN   8   1.325   2.176   3.200
   44    HA   GLN   8           HA       GLN   8   1.298   0.891   5.902
   45   1HB   GLN   8          2HB       GLN   8   0.362   3.410   4.664
   46   2HB   GLN   8          1HB       GLN   8  -0.730   2.719   5.864
   47   1HG   GLN   8          2HG       GLN   8   2.200   3.390   6.259
   48   2HG   GLN   8          1HG       GLN   8   0.823   4.210   6.996
   49   1HE2  GLN   8          2HE2      GLN   8   2.238   1.598   9.354
   50   2HE2  GLN   8          1HE2      GLN   8   2.962   2.870   8.493
   51    H    CYS   9           HN       CAG   9   0.490  -0.442   3.281
   52    HA   CYS   9           HA       CAG   9  -2.414  -0.673   3.353
   53   1HB   CYS   9          2HB       CAG   9  -0.060  -2.050   2.089
   54   2HB   CYS   9          1HB       CAG   9  -1.713  -2.599   1.775
   55    H    GLN  10           H        GLN  10  -3.588  -2.252   4.494
   56    HA   GLN  10           HA       GLN  10  -2.094  -3.918   6.437
   57   1HB   GLN  10          2HB       GLN  10  -4.751  -2.748   6.096
   58   2HB   GLN  10          1HB       GLN  10  -4.841  -4.438   6.597
   59   1HG   GLN  10          2HG       GLN  10  -2.833  -3.491   8.210
   60   2HG   GLN  10          1HG       GLN  10  -3.892  -2.084   8.096
   61   1HE2  GLN  10          2HE2      GLN  10  -5.031  -5.249  10.331
   62   2HE2  GLN  10          1HE2      GLN  10  -3.503  -5.169   9.597
   63    H    CYS  11           HN       CNP  11  -2.443  -4.269   3.328
   64    HA   CYS  11           HA       CNP  11  -3.802  -6.788   2.977
   65   1HB   CYS  11          2HB       CNP  11  -1.779  -5.365   1.238
   66   2HB   CYS  11          1HB       CNP  11  -3.090  -6.402   0.738
   67    H    GLY  12           H        GLY  12  -2.018  -8.113   1.353
   68   1HA   GLY  12          2HA       GLY  12   0.180  -8.886   3.225
   69   2HA   GLY  12          1HA       GLY  12  -0.682 -10.055   2.222
   70    H    SER  13           H        SER  13  -0.686  -7.818   0.076
   71    HA   SER  13           HA       SER  13   1.857  -8.664  -1.173
   72   1HB   SER  13          2HB       SER  13  -0.738  -8.173  -2.018
   73   2HB   SER  13          1HB       SER  13   0.131  -6.743  -2.571
   74    HG   SER  13           HG       SER  13   1.218  -9.313  -2.946
   75    H    CYS  14           HN       CAG  14   0.331  -5.722   0.111
   76    HA   CYS  14           HA       CAG  14   2.513  -3.996  -0.787
   77   1HB   CYS  14          2HB       CAG  14   0.164  -3.485   1.067
   78   2HB   CYS  14          1HB       CAG  14   1.030  -2.345   0.086
   79    H    LYS  15           H        LYS  15   0.971  -4.730   2.326
   80    HA   LYS  15           HA       LYS  15   2.557  -3.654   4.226
   81   1HB   LYS  15          2HB       LYS  15   1.785  -5.386   5.621
   82   2HB   LYS  15          1HB       LYS  15   0.646  -5.446   4.279
   83   1HG   LYS  15          2HG       LYS  15   1.757  -7.327   3.298
   84   2HG   LYS  15          1HG       LYS  15   3.143  -7.160   4.375
   85   1HD   LYS  15          2HD       LYS  15   0.523  -7.468   5.719
   86   2HD   LYS  15          1HD       LYS  15   1.099  -8.883   4.839
   87   1HE   LYS  15          2HE       LYS  15   2.955  -9.155   6.213
   88   2HE   LYS  15          1HE       LYS  15   3.023  -7.431   6.631
   89   1HZ   LYS  15          1HZ       LYS  15   0.824  -9.265   7.423
   90   2HZ   LYS  15          3HZ       LYS  15   2.109  -8.827   8.441
   91   3HZ   LYS  15          2HZ       LYS  15   1.016  -7.645   7.897
   92    H    ASN  16           H        ASN  16   3.549  -6.371   2.168
   93    HA   ASN  16           HA       ASN  16   6.353  -5.987   3.148
   94   1HB   ASN  16          2HB       ASN  16   5.186  -7.910   4.256
   95   2HB   ASN  16          1HB       ASN  16   4.944  -8.631   2.665
   96   1HD2  ASN  16          2HD2      ASN  16   8.191  -9.807   4.326
   97   2HD2  ASN  16          1HD2      ASN  16   6.628  -9.635   4.965
   98    H    ASN  17           H        ASN  17   6.622  -4.818   1.080
   99    HA   ASN  17           HA       ASN  17   7.388  -6.613  -1.125
  100   1HB   ASN  17          2HB       ASN  17   4.829  -5.226  -0.987
  101   2HB   ASN  17          1HB       ASN  17   5.751  -4.753  -2.415
  102   1HD2  ASN  17          2HD2      ASN  17   5.223  -7.821  -4.060
  103   2HD2  ASN  17          1HD2      ASN  17   5.802  -6.228  -4.146
  104    H    GLU  18           H        GLU  18   9.416  -5.767  -1.384
  105    HA   GLU  18           HA       GLU  18  10.056  -2.991  -0.959
  106   1HB   GLU  18          2HB       GLU  18  11.561  -5.101  -2.528
  107   2HB   GLU  18          1HB       GLU  18  12.250  -3.680  -1.743
  108   1HG   GLU  18          2HG       GLU  18  11.391  -4.587   0.454
  109   2HG   GLU  18          1HG       GLU  18  10.970  -6.073  -0.398
  110    H    GLN  19           H        GLN  19   8.352  -4.435  -3.397
  111    HA   GLN  19           HA       GLN  19   9.402  -2.809  -5.605
  112   1HB   GLN  19          2HB       GLN  19   7.048  -4.677  -5.305
  113   2HB   GLN  19          1HB       GLN  19   7.530  -3.943  -6.834
  114   1HG   GLN  19          2HG       GLN  19   9.769  -5.224  -5.454
  115   2HG   GLN  19          1HG       GLN  19   8.472  -6.356  -5.835
  116   1HE2  GLN  19          2HE2      GLN  19  10.777  -4.869  -8.820
  117   2HE2  GLN  19          1HE2      GLN  19  11.046  -4.443  -7.199
  118    H    CYS  20           HN       CAG  20   6.642  -2.957  -3.568
  119    HA   CYS  20           HA       CAG  20   5.796  -0.229  -4.415
  120   1HB   CYS  20          2HB       CAG  20   3.549  -1.069  -4.252
  121   2HB   CYS  20          1HB       CAG  20   4.472  -2.264  -5.151
  122    H    GLN  21           H        GLN  21   7.483  -1.432  -2.076
  123    HA   GLN  21           HA       GLN  21   5.921  -1.099   0.336
  124   1HB   GLN  21          2HB       GLN  21   8.617  -1.758  -0.516
  125   2HB   GLN  21          1HB       GLN  21   8.650  -0.678   0.877
  126   1HG   GLN  21          2HG       GLN  21   6.599  -2.676   1.241
  127   2HG   GLN  21          1HG       GLN  21   8.141  -3.455   0.891
  128   1HE2  GLN  21          2HE2      GLN  21   9.488  -2.720   4.059
  129   2HE2  GLN  21          1HE2      GLN  21   9.642  -3.561   2.592
  130    H    LYS  22           H        LYS  22   6.775   1.246  -1.889
  131    HA   LYS  22           HA       LYS  22   6.441   3.354   0.140
  132   1HB   LYS  22          2HB       LYS  22   8.656   4.379  -0.636
  133   2HB   LYS  22          1HB       LYS  22   8.745   2.976   0.426
  134   1HG   LYS  22          2HG       LYS  22   8.619   1.931  -2.187
  135   2HG   LYS  22          1HG       LYS  22   9.745   3.283  -2.274
  136   1HD   LYS  22          2HD       LYS  22   9.875   0.978  -0.307
  137   2HD   LYS  22          1HD       LYS  22  10.955   1.238  -1.677
  138   1HE   LYS  22          2HE       LYS  22  11.679   3.403  -0.670
  139   2HE   LYS  22          1HE       LYS  22  10.656   3.062   0.737
  140   1HZ   LYS  22          1HZ       LYS  22  12.244   0.804   0.023
  141   2HZ   LYS  22          3HZ       LYS  22  13.221   2.155   0.336
  142   3HZ   LYS  22          2HZ       LYS  22  12.129   1.606   1.515
  143    H    SER  23           H        SER  23   5.597   2.366  -2.812
  144    HA   SER  23           HA       SER  23   5.517   5.178  -3.801
  145   1HB   SER  23          2HB       SER  23   6.030   2.641  -5.371
  146   2HB   SER  23          1HB       SER  23   5.831   4.232  -6.103
  147    HG   SER  23           HG       SER  23   7.839   4.581  -5.640
  148    H    CYS  24           HN       CNP  24   3.438   3.756  -2.410
  149    HA   CYS  24           HA       CNP  24   1.313   3.685  -4.460
  150   1HB   CYS  24          2HB       CNP  24   0.433   1.977  -3.189
  151   2HB   CYS  24          1HB       CNP  24   2.128   1.667  -3.034
  152    H    SER  25           H        SER  25  -0.294   5.213  -4.219
  153    HA   SER  25           HA       SER  25   0.154   7.382  -2.357
  154   1HB   SER  25          2HB       SER  25  -2.253   6.725  -4.083
  155   2HB   SER  25          1HB       SER  25  -1.825   8.311  -3.446
  156    HG   SER  25           HG       SER  25  -0.770   8.469  -5.263
  157    H    CYS  26           HN       CAG  26  -0.798   4.475  -1.400
  158    HA   CYS  26           HA       CAG  26  -3.310   4.714  -0.163
  159   1HB   CYS  26          2HB       CAG  26  -0.689   3.362   0.335
  160   2HB   CYS  26          1HB       CAG  26  -1.930   3.282   1.579
  161    HA   PRO  27           HA       PRO  27  -2.282   8.131   2.563
  162   1HB   PRO  27          2HB       PRO  27  -4.749   8.254   3.756
  163   2HB   PRO  27          1HB       PRO  27  -4.416   8.976   2.167
  164   1HG   PRO  27          2HG       PRO  27  -5.705   6.368   2.827
  165   2HG   PRO  27          1HG       PRO  27  -6.143   7.559   1.591
  166   1HD   PRO  27          2HD       PRO  27  -4.790   5.298   0.995
  167   2HD   PRO  27          1HD       PRO  27  -4.529   6.821   0.113
  168    H    THR  28           H        THR  28  -0.853   6.968   3.814
  169    HA   THR  28           HA       THR  28  -0.786   4.808   5.278
  170    HB   THR  28           HB       THR  28   0.283   6.368   7.160
  171    HG1  THR  28           HG1      THR  28  -0.924   8.142   5.880
  172   1HG2  THR  28          1HG2      THR  28   1.095   5.489   4.485
  173   2HG2  THR  28          3HG2      THR  28   2.023   6.867   5.076
  174   3HG2  THR  28          2HG2      THR  28   1.962   5.377   6.016
  175    H    GLY  29           H        GLY  29  -2.973   4.558   5.379
  176   1HA   GLY  29          2HA       GLY  29  -3.978   4.435   8.075
  177   2HA   GLY  29          1HA       GLY  29  -4.966   5.444   7.009
  178    H    CYS  30           HN       CAG  30  -3.796   3.426   4.736
  179    HA   CYS  30           HA       CAG  30  -6.159   1.976   4.348
  180   1HB   CYS  30          2HB       CAG  30  -4.010   2.362   2.959
  181   2HB   CYS  30          1HB       CAG  30  -3.431   0.885   3.714
  182    H    ASN  31           H        ASN  31  -7.073   0.807   5.961
  183    HA   ASN  31           HA       ASN  31  -5.408  -1.275   7.350
  184   1HB   ASN  31          2HB       ASN  31  -7.535   0.642   8.179
  185   2HB   ASN  31          1HB       ASN  31  -7.589  -0.955   8.925
  186   1HD2  ASN  31          2HD2      ASN  31  -5.287   1.356  10.865
  187   2HD2  ASN  31          1HD2      ASN  31  -6.884   1.538  10.319
  188    H    SER  32           H        SER  32  -8.884  -0.682   6.754
  189    HA   SER  32           HA       SER  32  -9.298  -3.561   6.165
  190   1HB   SER  32          2HB       SER  32 -11.504  -1.606   5.902
  191   2HB   SER  32          1HB       SER  32 -11.439  -3.098   6.836
  192    HG   SER  32           HG       SER  32 -11.463  -0.942   7.970
  193    H    ASP  33           H        ASP  33  -8.179  -3.655   4.133
  194    HA   ASP  33           HA       ASP  33  -9.790  -2.637   1.868
  195   1HB   ASP  33          2HB       ASP  33  -6.890  -2.011   2.456
  196   2HB   ASP  33          1HB       ASP  33  -7.612  -1.789   0.862
  197    H    ASP  34           H        ASP  34 -10.125  -5.024   1.928
  198    HA   ASP  34           HA       ASP  34  -7.866  -6.689   1.057
  199   1HB   ASP  34          2HB       ASP  34  -9.387  -7.596   2.735
  200   2HB   ASP  34          1HB       ASP  34 -10.777  -7.244   1.708
  201    H    LYS  35           H        LYS  35  -8.931  -4.564  -0.527
  202    HA   LYS  35           HA       LYS  35  -9.414  -6.061  -3.031
  203   1HB   LYS  35          2HB       LYS  35 -11.307  -4.466  -1.664
  204   2HB   LYS  35          1HB       LYS  35 -10.707  -3.445  -2.972
  205   1HG   LYS  35          2HG       LYS  35 -11.194  -6.173  -3.873
  206   2HG   LYS  35          1HG       LYS  35 -12.649  -5.437  -3.202
  207   1HD   LYS  35          2HD       LYS  35 -12.846  -4.556  -5.301
  208   2HD   LYS  35          1HD       LYS  35 -11.703  -3.365  -4.681
  209   1HE   LYS  35          2HE       LYS  35 -10.115  -4.057  -6.140
  210   2HE   LYS  35          1HE       LYS  35 -10.304  -5.741  -5.609
  211   1HZ   LYS  35          1HZ       LYS  35 -12.420  -5.765  -6.915
  212   2HZ   LYS  35          3HZ       LYS  35 -11.965  -4.275  -7.584
  213   3HZ   LYS  35          2HZ       LYS  35 -11.011  -5.654  -7.858
  214    H    CYS  36           HN       CAG  36  -7.172  -5.012  -1.647
  215    HA   CYS  36           HA       CAG  36  -6.208  -2.942  -3.561
  216   1HB   CYS  36          2HB       CAG  36  -6.634  -2.277  -1.119
  217   2HB   CYS  36          1HB       CAG  36  -5.247  -3.289  -0.745
  218    HA   PRO  37           HA       PRO  37  -3.289  -6.329  -3.604
  219   1HB   PRO  37          2HB       PRO  37  -3.775  -7.040  -6.246
  220   2HB   PRO  37          1HB       PRO  37  -4.615  -7.751  -4.855
  221   1HG   PRO  37          2HG       PRO  37  -5.708  -6.034  -6.874
  222   2HG   PRO  37          1HG       PRO  37  -6.529  -6.783  -5.500
  223   1HD   PRO  37          2HD       PRO  37  -5.507  -4.049  -5.798
  224   2HD   PRO  37          1HD       PRO  37  -6.767  -4.695  -4.717
  225    H    CYS  38           HN       CAG  38  -3.074  -3.570  -3.711
  226    HA   CYS  38           HA       CAG  38  -1.791  -2.448  -5.993
  227   1HB   CYS  38          2HB       CAG  38  -2.593  -0.946  -4.536
  228   2HB   CYS  38          1HB       CAG  38  -2.314  -1.948  -3.129
  229    H    GLY  39           H        GLY  39   0.133  -2.424  -6.643
  230   1HA   GLY  39          2HA       GLY  39   2.410  -3.378  -5.003
  231   2HA   GLY  39          1HA       GLY  39   2.115  -4.196  -6.543
  232    H    ASN  40           HN       ASN  40   1.134  -0.949  -6.573
  233    HA   ASN  40           HA       ASN  40   3.396  -0.257  -8.371
  234   1HB   ASN  40          2HB       ASN  40   1.914   1.812  -8.681
  235   2HB   ASN  40          1HB       ASN  40   1.201   0.276  -9.167
  236   1HD2  ASN  40          2HD2      ASN  40  -0.138   1.959  -5.650
  237   2HD2  ASN  40          1HD2      ASN  40   1.472   2.217  -6.121
   
  Start of MODEL    3
    1   1H    GLN   1          2H        GLN   1  -2.409  10.801  -6.075
    2   2H    GLN   1          1H        GLN   1  -2.811   9.695  -7.300
    3   3H    GLN   1          3H        GLN   1  -2.675   9.167  -5.695
    4    HA   GLN   1           HA       GLN   1  -0.688   8.479  -6.766
    5   1HB   GLN   1          2HB       GLN   1  -0.959  11.262  -7.891
    6   2HB   GLN   1          1HB       GLN   1   0.593  10.425  -7.940
    7   1HG   GLN   1          2HG       GLN   1  -0.105   8.954  -9.531
    8   2HG   GLN   1          1HG       GLN   1  -1.717   8.807  -8.824
    9   1HE2  GLN   1          2HE2      GLN   1  -2.227  10.612 -12.006
   10   2HE2  GLN   1          1HE2      GLN   1  -1.804   9.043 -11.518
   11    H    ASN   2           H        ASN   2  -1.573   9.890  -4.208
   12    HA   ASN   2           HA       ASN   2   0.799  11.413  -3.356
   13   1HB   ASN   2          2HB       ASN   2  -1.836  10.526  -2.206
   14   2HB   ASN   2          1HB       ASN   2  -0.588  11.170  -1.138
   15   1HD2  ASN   2          2HD2      ASN   2  -2.490  14.148  -2.131
   16   2HD2  ASN   2          1HD2      ASN   2  -2.665  12.812  -1.098
   17    H    GLU   3           H        GLU   3   1.527   8.822  -4.182
   18    HA   GLU   3           HA       GLU   3   1.819   7.200  -1.700
   19   1HB   GLU   3          2HB       GLU   3   2.519   5.475  -3.295
   20   2HB   GLU   3          1HB       GLU   3   1.076   6.263  -3.935
   21   1HG   GLU   3          2HG       GLU   3   2.885   7.865  -5.051
   22   2HG   GLU   3          1HG       GLU   3   3.904   6.437  -4.878
   23    H    GLY   4           H        GLY   4   3.228   9.678  -1.994
   24   1HA   GLY   4          2HA       GLY   4   6.061   8.873  -2.405
   25   2HA   GLY   4          1HA       GLY   4   5.497  10.520  -2.056
   26    H    HIS   5           H        HIS   5   4.946   7.355  -0.535
   27    HA   HIS   5           HA       HIS   5   5.905   8.518   2.057
   28   1HB   HIS   5          2HB       HIS   5   3.826   7.709   3.061
   29   2HB   HIS   5          1HB       HIS   5   3.447   8.749   1.693
   30    HD1  HIS   5           HD1      HIS   5   4.531   5.682   0.172
   31    HD2  HIS   5           HD2      HIS   5   1.000   6.860   1.979
   32    HE1  HIS   5           HE1      HIS   5   2.777   3.962  -0.413
   33    H    GLU   6           H        GLU   6   5.580   6.595   3.768
   34    HA   GLU   6           HA       GLU   6   7.124   4.293   2.706
   35   1HB   GLU   6          2HB       GLU   6   7.202   3.721   5.163
   36   2HB   GLU   6          1HB       GLU   6   7.904   5.293   4.777
   37   1HG   GLU   6          2HG       GLU   6   5.076   5.586   5.232
   38   2HG   GLU   6          1HG       GLU   6   5.810   4.750   6.600
   39    H    CYS   7           HN       CNP   7   5.986   2.494   2.156
   40    HA   CYS   7           HA       CNP   7   3.221   2.276   2.015
   41   1HB   CYS   7          2HB       CNP   7   5.081   0.808   1.114
   42   2HB   CYS   7          1HB       CNP   7   5.089  -0.017   2.661
   43    H    GLN   8           H        GLN   8   1.758   2.538   3.652
   44    HA   GLN   8           HA       GLN   8   2.530   1.510   6.372
   45   1HB   GLN   8          2HB       GLN   8   1.334   3.969   5.302
   46   2HB   GLN   8          1HB       GLN   8   0.471   3.322   6.697
   47   1HG   GLN   8          2HG       GLN   8   2.116   3.955   8.101
   48   2HG   GLN   8          1HG       GLN   8   3.346   3.189   7.096
   49   1HE2  GLN   8          2HE2      GLN   8   3.655   7.018   7.168
   50   2HE2  GLN   8          1HE2      GLN   8   3.362   5.921   8.430
   51    H    CYS   9           HN       CAG   9   1.166  -0.107   4.252
   52    HA   CYS   9           HA       CAG   9  -1.635  -0.284   5.179
   53   1HB   CYS   9          2HB       CAG   9   0.123  -1.736   3.209
   54   2HB   CYS   9          1HB       CAG   9  -1.584  -2.124   3.423
   55    H    GLN  10           H        GLN  10  -1.755  -3.192   4.938
   56    HA   GLN  10           HA       GLN  10   0.030  -4.207   7.087
   57   1HB   GLN  10          2HB       GLN  10  -2.871  -3.562   7.272
   58   2HB   GLN  10          1HB       GLN  10  -2.357  -5.072   8.025
   59   1HG   GLN  10          2HG       GLN  10  -0.652  -3.865   9.320
   60   2HG   GLN  10          1HG       GLN  10  -1.121  -2.351   8.547
   61   1HE2  GLN  10          2HE2      GLN  10  -3.254  -1.918  11.353
   62   2HE2  GLN  10          1HE2      GLN  10  -1.845  -1.387  10.570
   63    H    CYS  11           HN       CNP  11  -1.021  -4.683   4.110
   64    HA   CYS  11           HA       CNP  11  -2.017  -7.411   4.218
   65   1HB   CYS  11          2HB       CNP  11  -0.979  -5.873   1.844
   66   2HB   CYS  11          1HB       CNP  11  -2.277  -7.031   1.918
   67    H    GLY  12           H        GLY  12  -0.823  -8.972   2.687
   68   1HA   GLY  12          2HA       GLY  12   1.915  -9.293   3.589
   69   2HA   GLY  12          1HA       GLY  12   1.094 -10.314   2.402
   70    H    SER  13           H        SER  13   0.348  -7.630   1.039
   71    HA   SER  13           HA       SER  13   2.569  -7.636  -0.854
   72   1HB   SER  13          2HB       SER  13  -0.078  -6.266  -0.496
   73   2HB   SER  13          1HB       SER  13   1.061  -5.626  -1.679
   74    HG   SER  13           HG       SER  13   0.587  -8.383  -1.624
   75    H    CYS  14           HN       CAG  14   1.278  -5.373   1.604
   76    HA   CYS  14           HA       CAG  14   3.451  -3.465   1.128
   77   1HB   CYS  14          2HB       CAG  14   1.059  -3.626   2.998
   78   2HB   CYS  14          1HB       CAG  14   2.111  -2.263   2.845
   79    H    LYS  15           H        LYS  15   2.082  -5.095   3.991
   80    HA   LYS  15           HA       LYS  15   3.991  -4.656   5.908
   81   1HB   LYS  15          2HB       LYS  15   2.946  -6.420   6.997
   82   2HB   LYS  15          1HB       LYS  15   1.783  -6.133   5.707
   83   1HG   LYS  15          2HG       LYS  15   2.879  -7.901   4.352
   84   2HG   LYS  15          1HG       LYS  15   3.992  -8.210   5.684
   85   1HD   LYS  15          2HD       LYS  15   1.799  -8.480   7.098
   86   2HD   LYS  15          1HD       LYS  15   1.040  -8.746   5.528
   87   1HE   LYS  15          2HE       LYS  15   2.016 -10.800   5.274
   88   2HE   LYS  15          1HE       LYS  15   3.558 -10.251   5.961
   89   1HZ   LYS  15          3HZ       LYS  15   1.072 -10.695   7.529
   90   2HZ   LYS  15          2HZ       LYS  15   2.366 -11.795   7.446
   91   3HZ   LYS  15          1HZ       LYS  15   2.591 -10.264   8.148
   92    H    ASN  16           H        ASN  16   4.288  -7.049   3.266
   93    HA   ASN  16           HA       ASN  16   7.133  -7.479   4.140
   94   1HB   ASN  16          2HB       ASN  16   5.193  -9.303   4.234
   95   2HB   ASN  16          1HB       ASN  16   5.602  -9.483   2.528
   96   1HD2  ASN  16          2HD2      ASN  16   7.843 -11.837   4.260
   97   2HD2  ASN  16          1HD2      ASN  16   6.193 -11.717   3.878
   98    H    ASN  17           H        ASN  17   5.161  -8.068   1.197
   99    HA   ASN  17           HA       ASN  17   7.204  -7.953  -0.704
  100   1HB   ASN  17          2HB       ASN  17   4.366  -7.880  -0.580
  101   2HB   ASN  17          1HB       ASN  17   4.870  -6.605  -1.692
  102   1HD2  ASN  17          2HD2      ASN  17   5.026  -9.199  -4.120
  103   2HD2  ASN  17          1HD2      ASN  17   4.178  -7.825  -3.596
  104    H    GLU  18           H        GLU  18   8.780  -6.388  -0.435
  105    HA   GLU  18           HA       GLU  18   8.092  -3.585   0.015
  106   1HB   GLU  18          2HB       GLU  18  10.585  -3.353  -0.163
  107   2HB   GLU  18          1HB       GLU  18  10.088  -4.586   0.994
  108   1HG   GLU  18          2HG       GLU  18  10.740  -6.342  -0.383
  109   2HG   GLU  18          1HG       GLU  18  10.572  -5.384  -1.855
  110    H    GLN  19           H        GLN  19   7.627  -5.377  -2.624
  111    HA   GLN  19           HA       GLN  19   8.993  -3.852  -4.673
  112   1HB   GLN  19          2HB       GLN  19   7.003  -6.031  -4.452
  113   2HB   GLN  19          1HB       GLN  19   6.982  -5.115  -5.960
  114   1HG   GLN  19          2HG       GLN  19   9.687  -5.829  -5.057
  115   2HG   GLN  19          1HG       GLN  19   8.672  -7.224  -5.427
  116   1HE2  GLN  19          2HE2      GLN  19  10.222  -6.208  -8.639
  117   2HE2  GLN  19          1HE2      GLN  19  10.759  -6.855  -7.165
  118    H    CYS  20           HN       CAG  20   5.928  -3.733  -3.149
  119    HA   CYS  20           HA       CAG  20   5.134  -1.351  -4.764
  120   1HB   CYS  20          2HB       CAG  20   2.876  -2.062  -4.283
  121   2HB   CYS  20          1HB       CAG  20   3.770  -3.484  -4.804
  122    H    GLN  21           H        GLN  21   6.676  -1.952  -2.008
  123    HA   GLN  21           HA       GLN  21   5.065  -0.437  -0.082
  124   1HB   GLN  21          2HB       GLN  21   7.693  -1.852  -0.214
  125   2HB   GLN  21          1HB       GLN  21   7.437  -0.696   1.091
  126   1HG   GLN  21          2HG       GLN  21   5.073  -2.268   0.886
  127   2HG   GLN  21          1HG       GLN  21   6.446  -3.377   0.882
  128   1HE2  GLN  21          2HE2      GLN  21   7.628  -2.004   4.111
  129   2HE2  GLN  21          1HE2      GLN  21   8.278  -2.265   2.564
  130    H    LYS  22           H        LYS  22   6.469   0.734  -2.741
  131    HA   LYS  22           HA       LYS  22   7.482   3.150  -1.298
  132   1HB   LYS  22          2HB       LYS  22   8.779   1.880  -3.718
  133   2HB   LYS  22          1HB       LYS  22   9.425   3.188  -2.727
  134   1HG   LYS  22          2HG       LYS  22   8.856   0.386  -1.713
  135   2HG   LYS  22          1HG       LYS  22  10.450   0.976  -2.182
  136   1HD   LYS  22          2HD       LYS  22   9.195   2.841  -0.360
  137   2HD   LYS  22          1HD       LYS  22   9.227   1.225   0.347
  138   1HE   LYS  22          2HE       LYS  22  11.739   1.308  -0.668
  139   2HE   LYS  22          1HE       LYS  22  11.493   3.032  -0.326
  140   1HZ   LYS  22          3HZ       LYS  22  10.372   1.704   1.805
  141   2HZ   LYS  22          2HZ       LYS  22  11.822   0.871   1.507
  142   3HZ   LYS  22          1HZ       LYS  22  11.846   2.542   1.805
  143    H    SER  23           H        SER  23   5.089   2.237  -3.295
  144    HA   SER  23           HA       SER  23   4.915   4.927  -4.425
  145   1HB   SER  23          2HB       SER  23   5.534   2.487  -6.084
  146   2HB   SER  23          1HB       SER  23   4.693   3.858  -6.803
  147    HG   SER  23           HG       SER  23   6.783   4.352  -7.092
  148    H    CYS  24           HN       CNP  24   3.303   3.260  -2.741
  149    HA   CYS  24           HA       CNP  24   0.878   2.819  -4.359
  150   1HB   CYS  24          2HB       CNP  24   0.488   1.185  -2.796
  151   2HB   CYS  24          1HB       CNP  24   2.217   1.217  -2.748
  152    H    SER  25           H        SER  25  -0.664   4.406  -4.229
  153    HA   SER  25           HA       SER  25  -0.263   6.675  -2.432
  154   1HB   SER  25          2HB       SER  25  -2.450   7.379  -3.549
  155   2HB   SER  25          1HB       SER  25  -1.116   7.042  -4.649
  156    HG   SER  25           HG       SER  25  -2.145   5.340  -5.369
  157    H    CYS  26           HN       CAG  26  -1.023   3.854  -1.365
  158    HA   CYS  26           HA       CAG  26  -3.570   3.762  -0.262
  159   1HB   CYS  26          2HB       CAG  26  -0.772   2.935   0.412
  160   2HB   CYS  26          1HB       CAG  26  -2.011   2.760   1.661
  161    HA   PRO  27           HA       PRO  27  -3.179   7.548   2.180
  162   1HB   PRO  27          2HB       PRO  27  -5.769   7.514   3.100
  163   2HB   PRO  27          1HB       PRO  27  -5.329   8.159   1.504
  164   1HG   PRO  27          2HG       PRO  27  -6.428   5.474   2.220
  165   2HG   PRO  27          1HG       PRO  27  -6.853   6.541   0.869
  166   1HD   PRO  27          2HD       PRO  27  -5.237   4.411   0.540
  167   2HD   PRO  27          1HD       PRO  27  -5.009   5.914  -0.384
  168    H    THR  28           H        THR  28  -1.777   6.557   3.589
  169    HA   THR  28           HA       THR  28  -1.657   4.468   5.138
  170    HB   THR  28           HB       THR  28  -0.562   5.890   6.882
  171    HG1  THR  28           HG1      THR  28  -0.616   8.216   6.168
  172   1HG2  THR  28          1HG2      THR  28   0.337   5.317   4.507
  173   2HG2  THR  28          3HG2      THR  28   0.024   7.015   4.151
  174   3HG2  THR  28          2HG2      THR  28   1.157   6.577   5.428
  175    H    GLY  29           H        GLY  29  -3.785   4.018   5.078
  176   1HA   GLY  29          2HA       GLY  29  -5.016   3.846   7.673
  177   2HA   GLY  29          1HA       GLY  29  -6.004   4.723   6.495
  178    H    CYS  30           HN       CAG  30  -4.473   2.841   4.370
  179    HA   CYS  30           HA       CAG  30  -6.555   1.123   3.747
  180   1HB   CYS  30          2HB       CAG  30  -4.333   1.692   2.580
  181   2HB   CYS  30          1HB       CAG  30  -3.630   0.391   3.539
  182    H    ASN  31           H        ASN  31  -7.479  -0.531   4.824
  183    HA   ASN  31           HA       ASN  31  -5.805  -2.355   6.474
  184   1HB   ASN  31          2HB       ASN  31  -7.368  -0.232   7.494
  185   2HB   ASN  31          1HB       ASN  31  -8.272  -1.707   7.840
  186   1HD2  ASN  31          2HD2      ASN  31  -5.047  -0.865  10.058
  187   2HD2  ASN  31          1HD2      ASN  31  -5.786   0.259   9.022
  188    H    SER  32           H        SER  32  -7.728  -2.232   3.958
  189    HA   SER  32           HA       SER  32  -9.320  -4.662   4.718
  190   1HB   SER  32          2HB       SER  32 -10.982  -3.107   4.347
  191   2HB   SER  32          1HB       SER  32  -9.964  -2.124   3.298
  192    HG   SER  32           HG       SER  32 -11.392  -3.087   1.955
  193    H    ASP  33           H        ASP  33  -9.902  -5.950   2.643
  194    HA   ASP  33           HA       ASP  33  -7.408  -6.333   1.087
  195   1HB   ASP  33          2HB       ASP  33  -9.213  -8.004   2.290
  196   2HB   ASP  33          1HB       ASP  33  -9.775  -8.042   0.619
  197    H    ASP  34           H        ASP  34 -10.831  -5.513   0.555
  198    HA   ASP  34           HA       ASP  34 -10.348  -5.242  -2.337
  199   1HB   ASP  34          2HB       ASP  34 -12.504  -6.061  -0.789
  200   2HB   ASP  34          1HB       ASP  34 -12.965  -4.428  -1.277
  201    H    LYS  35           H        LYS  35  -9.123  -3.569  -0.376
  202    HA   LYS  35           HA       LYS  35  -9.895  -0.951  -1.510
  203   1HB   LYS  35          2HB       LYS  35 -10.678  -1.582   0.972
  204   2HB   LYS  35          1HB       LYS  35  -9.007  -1.162   1.352
  205   1HG   LYS  35          2HG       LYS  35  -9.610   1.006   1.349
  206   2HG   LYS  35          1HG       LYS  35  -9.938   0.866  -0.379
  207   1HD   LYS  35          2HD       LYS  35 -12.235   0.054   0.158
  208   2HD   LYS  35          1HD       LYS  35 -11.900   0.321   1.869
  209   1HE   LYS  35          2HE       LYS  35 -11.849   2.658   1.631
  210   2HE   LYS  35          1HE       LYS  35 -11.511   2.567  -0.109
  211   1HZ   LYS  35          1HZ       LYS  35 -13.801   1.181   0.081
  212   2HZ   LYS  35          3HZ       LYS  35 -14.040   2.349   1.288
  213   3HZ   LYS  35          2HZ       LYS  35 -13.721   2.833  -0.308
  214    H    CYS  36           HN       CAG  36  -7.973  -2.987  -2.057
  215    HA   CYS  36           HA       CAG  36  -5.447  -1.452  -1.655
  216   1HB   CYS  36          2HB       CAG  36  -5.962  -3.658  -0.322
  217   2HB   CYS  36          1HB       CAG  36  -5.506  -4.416  -1.820
  218    HA   PRO  37           HA       PRO  37  -6.001  -2.624  -5.980
  219   1HB   PRO  37          2HB       PRO  37  -6.348  -0.055  -6.943
  220   2HB   PRO  37          1HB       PRO  37  -7.681  -1.109  -6.437
  221   1HG   PRO  37          2HG       PRO  37  -6.694   1.283  -5.155
  222   2HG   PRO  37          1HG       PRO  37  -8.131   0.327  -4.781
  223   1HD   PRO  37          2HD       PRO  37  -5.543   0.348  -3.460
  224   2HD   PRO  37          1HD       PRO  37  -7.089  -0.349  -2.924
  225    H    CYS  38           HN       CAG  38  -3.780  -2.543  -4.398
  226    HA   CYS  38           HA       CAG  38  -1.752  -0.676  -5.327
  227   1HB   CYS  38          2HB       CAG  38  -2.278  -2.141  -3.201
  228   2HB   CYS  38          1HB       CAG  38  -1.227  -3.273  -4.011
  229    H    GLY  39           H        GLY  39  -3.127  -2.830  -6.940
  230   1HA   GLY  39          2HA       GLY  39  -0.913  -4.408  -8.032
  231   2HA   GLY  39          1HA       GLY  39  -2.584  -4.468  -8.597
  232    H    ASN  40           HN       ASN  40  -0.716  -1.479  -8.271
  233    HA   ASN  40           HA       ASN  40  -1.222  -0.862 -11.106
  234   1HB   ASN  40          2HB       ASN  40  -0.391   1.329 -10.444
  235   2HB   ASN  40          1HB       ASN  40  -1.472   0.742  -9.180
  236   1HD2  ASN  40          1HD2      ASN  40  -0.528   0.138  -7.118
  237   2HD2  ASN  40          2HD2      ASN  40   1.088   0.485  -6.733
   
  Start of MODEL    4
    1   1H    GLN   1          3H        GLN   1  -2.090  13.204  -5.493
    2   2H    GLN   1          2H        GLN   1  -0.914  13.681  -6.622
    3   3H    GLN   1          1H        GLN   1  -2.235  12.735  -7.117
    4    HA   GLN   1           HA       GLN   1  -1.401  10.806  -6.201
    5   1HB   GLN   1          2HB       GLN   1   0.970  12.565  -6.915
    6   2HB   GLN   1          1HB       GLN   1   0.962  10.802  -6.935
    7   1HG   GLN   1          2HG       GLN   1  -0.753  10.784  -8.668
    8   2HG   GLN   1          1HG       GLN   1  -0.882  12.543  -8.598
    9   1HE2  GLN   1          2HE2      GLN   1   1.656  11.152 -11.218
   10   2HE2  GLN   1          1HE2      GLN   1   0.198  10.442 -10.716
   11    H    ASN   2           H        ASN   2  -1.928  10.988  -3.879
   12    HA   ASN   2           HA       ASN   2   0.129  12.138  -2.091
   13   1HB   ASN   2          2HB       ASN   2  -2.643  11.016  -1.907
   14   2HB   ASN   2          1HB       ASN   2  -1.662  11.050  -0.441
   15   1HD2  ASN   2          2HD2      ASN   2  -3.522  14.328  -0.876
   16   2HD2  ASN   2          1HD2      ASN   2  -4.038  12.711  -0.891
   17    H    GLU   3           H        GLU   3   0.966   9.869  -3.721
   18    HA   GLU   3           HA       GLU   3   1.129   7.658  -1.703
   19   1HB   GLU   3          2HB       GLU   3   1.870   6.369  -3.757
   20   2HB   GLU   3          1HB       GLU   3   0.270   7.084  -3.941
   21   1HG   GLU   3          2HG       GLU   3   1.042   8.775  -5.368
   22   2HG   GLU   3          1HG       GLU   3   2.710   8.605  -4.820
   23    H    GLY   4           H        GLY   4   2.630  10.118  -1.606
   24   1HA   GLY   4          2HA       GLY   4   5.422   9.222  -2.139
   25   2HA   GLY   4          1HA       GLY   4   4.949  10.865  -1.669
   26    H    HIS   5           H        HIS   5   4.125   7.678  -0.379
   27    HA   HIS   5           HA       HIS   5   5.080   8.606   2.311
   28   1HB   HIS   5          2HB       HIS   5   3.044   7.525   3.175
   29   2HB   HIS   5          1HB       HIS   5   2.631   8.723   1.954
   30    HD1  HIS   5           HD1      HIS   5   3.918   5.900   0.107
   31    HD2  HIS   5           HD2      HIS   5   0.275   6.753   1.875
   32    HE1  HIS   5           HE1      HIS   5   2.217   4.277  -0.845
   33    H    GLU   6           H        GLU   6   4.909   6.523   3.836
   34    HA   GLU   6           HA       GLU   6   6.618   4.446   2.579
   35   1HB   GLU   6          2HB       GLU   6   5.711   5.062   5.405
   36   2HB   GLU   6          1HB       GLU   6   6.691   3.656   4.993
   37   1HG   GLU   6          2HG       GLU   6   8.565   4.919   4.520
   38   2HG   GLU   6          1HG       GLU   6   7.623   6.326   4.027
   39    H    CYS   7           HN       CNP   7   5.643   2.575   1.896
   40    HA   CYS   7           HA       CNP   7   2.933   2.137   1.625
   41   1HB   CYS   7          2HB       CNP   7   4.846   0.802   0.749
   42   2HB   CYS   7          1HB       CNP   7   4.989   0.020   2.314
   43    H    GLN   8           H        GLN   8   1.436   2.415   3.234
   44    HA   GLN   8           HA       GLN   8   2.055   1.252   5.927
   45   1HB   GLN   8          2HB       GLN   8   1.728   3.648   5.865
   46   2HB   GLN   8          1HB       GLN   8   0.238   3.460   4.942
   47   1HG   GLN   8          2HG       GLN   8  -0.945   3.195   6.827
   48   2HG   GLN   8          1HG       GLN   8   0.095   1.858   7.322
   49   1HE2  GLN   8          2HE2      GLN   8   2.418   4.314   8.924
   50   2HE2  GLN   8          1HE2      GLN   8   2.560   3.186   7.665
   51    H    CYS   9           HN       CAG   9   1.042  -0.330   3.684
   52    HA   CYS   9           HA       CAG   9  -1.832  -0.721   4.134
   53   1HB   CYS   9          2HB       CAG   9   0.394  -1.992   2.556
   54   2HB   CYS   9          1HB       CAG   9  -1.237  -2.672   2.540
   55    H    GLN  10           H        GLN  10  -2.717  -2.318   5.484
   56    HA   GLN  10           HA       GLN  10  -0.860  -3.686   7.336
   57   1HB   GLN  10          2HB       GLN  10  -3.337  -2.487   7.520
   58   2HB   GLN  10          1HB       GLN  10  -3.755  -4.200   7.507
   59   1HG   GLN  10          2HG       GLN  10  -1.787  -4.395   9.246
   60   2HG   GLN  10          1HG       GLN  10  -2.093  -2.675   9.486
   61   1HE2  GLN  10          2HE2      GLN  10  -4.594  -3.621  11.796
   62   2HE2  GLN  10          1HE2      GLN  10  -3.128  -2.804  11.547
   63    H    CYS  11           HN       CNP  11  -1.320  -4.474   4.384
   64    HA   CYS  11           HA       CNP  11  -2.599  -7.070   4.438
   65   1HB   CYS  11          2HB       CNP  11  -0.719  -5.842   2.418
   66   2HB   CYS  11          1HB       CNP  11  -2.016  -6.973   2.139
   67    H    GLY  12           H        GLY  12  -0.817  -8.459   2.862
   68   1HA   GLY  12          2HA       GLY  12   1.468  -9.000   4.705
   69   2HA   GLY  12          1HA       GLY  12   0.669 -10.252   3.744
   70    H    SER  13           H        SER  13   0.465  -8.001   1.593
   71    HA   SER  13           HA       SER  13   2.925  -8.757   0.174
   72   1HB   SER  13          2HB       SER  13   0.363  -8.308  -0.556
   73   2HB   SER  13          1HB       SER  13   1.021  -6.699  -0.841
   74    HG   SER  13           HG       SER  13   1.698  -7.557  -2.637
   75    H    CYS  14           HN       CAG  14   1.592  -5.920   1.837
   76    HA   CYS  14           HA       CAG  14   3.754  -4.172   0.915
   77   1HB   CYS  14          2HB       CAG  14   1.327  -3.967   2.734
   78   2HB   CYS  14          1HB       CAG  14   2.433  -2.666   2.470
   79    H    LYS  15           H        LYS  15   2.527  -5.585   3.922
   80    HA   LYS  15           HA       LYS  15   4.458  -4.677   5.757
   81   1HB   LYS  15          2HB       LYS  15   2.933  -7.286   5.474
   82   2HB   LYS  15          1HB       LYS  15   3.801  -6.824   6.939
   83   1HG   LYS  15          2HG       LYS  15   2.436  -4.636   6.831
   84   2HG   LYS  15          1HG       LYS  15   1.404  -5.489   5.686
   85   1HD   LYS  15          2HD       LYS  15   0.403  -5.847   7.818
   86   2HD   LYS  15          1HD       LYS  15   1.251  -7.348   7.445
   87   1HE   LYS  15          2HE       LYS  15   2.904  -6.971   9.038
   88   2HE   LYS  15          1HE       LYS  15   2.731  -5.207   8.944
   89   1HZ   LYS  15          3HZ       LYS  15   0.347  -6.651   9.738
   90   2HZ   LYS  15          2HZ       LYS  15   1.618  -6.701  10.865
   91   3HZ   LYS  15          1HZ       LYS  15   0.993  -5.207  10.351
   92    H    ASN  16           H        ASN  16   4.799  -6.924   3.128
   93    HA   ASN  16           HA       ASN  16   7.595  -7.521   4.028
   94   1HB   ASN  16          2HB       ASN  16   5.422  -9.356   2.998
   95   2HB   ASN  16          1HB       ASN  16   7.124  -9.819   2.970
   96   1HD2  ASN  16          2HD2      ASN  16   5.110  -9.738   6.519
   97   2HD2  ASN  16          1HD2      ASN  16   4.378  -9.157   5.102
   98    H    ASN  17           H        ASN  17   5.648  -8.406   1.157
   99    HA   ASN  17           HA       ASN  17   7.650  -8.124  -0.786
  100   1HB   ASN  17          2HB       ASN  17   4.854  -8.501  -0.626
  101   2HB   ASN  17          1HB       ASN  17   5.096  -7.157  -1.743
  102   1HD2  ASN  17          2HD2      ASN  17   5.767  -9.525  -4.273
  103   2HD2  ASN  17          1HD2      ASN  17   4.831  -8.203  -3.766
  104    H    GLU  18           H        GLU  18   8.991  -6.323  -0.573
  105    HA   GLU  18           HA       GLU  18   7.880  -3.626  -0.285
  106   1HB   GLU  18          2HB       GLU  18  10.252  -3.015  -0.262
  107   2HB   GLU  18          1HB       GLU  18  10.013  -4.445   0.744
  108   1HG   GLU  18          2HG       GLU  18  10.827  -5.895  -0.995
  109   2HG   GLU  18          1HG       GLU  18  10.836  -4.576  -2.166
  110    H    GLN  19           H        GLN  19   7.729  -5.586  -2.827
  111    HA   GLN  19           HA       GLN  19   9.000  -4.133  -4.950
  112   1HB   GLN  19          2HB       GLN  19   7.012  -6.291  -4.595
  113   2HB   GLN  19          1HB       GLN  19   6.935  -5.440  -6.139
  114   1HG   GLN  19          2HG       GLN  19   9.528  -5.781  -6.170
  115   2HG   GLN  19          1HG       GLN  19   9.201  -7.044  -4.981
  116   1HE2  GLN  19          2HE2      GLN  19   7.413  -9.114  -7.336
  117   2HE2  GLN  19          1HE2      GLN  19   7.465  -8.699  -5.691
  118    H    CYS  20           HN       CAG  20   6.080  -3.716  -3.263
  119    HA   CYS  20           HA       CAG  20   5.320  -1.414  -4.992
  120   1HB   CYS  20          2HB       CAG  20   3.073  -2.180  -4.795
  121   2HB   CYS  20          1HB       CAG  20   4.026  -3.617  -5.123
  122    H    GLN  21           H        GLN  21   6.714  -1.991  -2.184
  123    HA   GLN  21           HA       GLN  21   4.892  -0.570  -0.372
  124   1HB   GLN  21          2HB       GLN  21   6.429  -1.228   1.281
  125   2HB   GLN  21          1HB       GLN  21   6.422  -2.550   0.118
  126   1HG   GLN  21          2HG       GLN  21   8.506  -1.889  -0.811
  127   2HG   GLN  21          1HG       GLN  21   8.435  -0.302  -0.048
  128   1HE2  GLN  21          2HE2      GLN  21   8.955  -3.317   2.676
  129   2HE2  GLN  21          1HE2      GLN  21   7.678  -3.403   1.561
  130    H    LYS  22           H        LYS  22   6.203   0.786  -2.748
  131    HA   LYS  22           HA       LYS  22   7.334   3.061  -1.171
  132   1HB   LYS  22          2HB       LYS  22   9.137   3.215  -2.831
  133   2HB   LYS  22          1HB       LYS  22   9.118   1.633  -2.050
  134   1HG   LYS  22          2HG       LYS  22   7.798   0.749  -3.978
  135   2HG   LYS  22          1HG       LYS  22   7.977   2.313  -4.773
  136   1HD   LYS  22          2HD       LYS  22  10.257   0.508  -3.907
  137   2HD   LYS  22          1HD       LYS  22   9.689   0.720  -5.564
  138   1HE   LYS  22          2HE       LYS  22  10.121   3.262  -5.151
  139   2HE   LYS  22          1HE       LYS  22  11.133   2.699  -3.804
  140   1HZ   LYS  22          1HZ       LYS  22  12.048   1.049  -5.511
  141   2HZ   LYS  22          3HZ       LYS  22  11.386   2.080  -6.683
  142   3HZ   LYS  22          2HZ       LYS  22  12.574   2.661  -5.615
  143    H    SER  23           H        SER  23   4.885   2.354  -3.201
  144    HA   SER  23           HA       SER  23   4.774   5.153  -4.102
  145   1HB   SER  23          2HB       SER  23   5.140   2.836  -6.010
  146   2HB   SER  23          1HB       SER  23   4.652   4.447  -6.526
  147    HG   SER  23           HG       SER  23   6.587   5.228  -5.548
  148    H    CYS  24           HN       CNP  24   2.823   3.965  -2.515
  149    HA   CYS  24           HA       CNP  24   0.604   3.586  -4.427
  150   1HB   CYS  24          2HB       CNP  24  -0.352   2.646  -2.158
  151   2HB   CYS  24          1HB       CNP  24   0.555   1.684  -3.257
  152    H    SER  25           H        SER  25  -1.347   4.737  -4.029
  153    HA   SER  25           HA       SER  25  -0.940   7.246  -2.521
  154   1HB   SER  25          2HB       SER  25  -2.635   8.014  -3.893
  155   2HB   SER  25          1HB       SER  25  -2.194   6.603  -4.850
  156    HG   SER  25           HG       SER  25  -3.967   5.613  -4.218
  157    H    CYS  26           HN       CAG  26  -1.482   4.303  -1.466
  158    HA   CYS  26           HA       CAG  26  -3.900   4.209  -0.058
  159   1HB   CYS  26          2HB       CAG  26  -1.064   3.248   0.370
  160   2HB   CYS  26          1HB       CAG  26  -2.383   2.769   1.424
  161    HA   PRO  27           HA       PRO  27  -2.907   7.718   2.618
  162   1HB   PRO  27          2HB       PRO  27  -5.370   7.800   3.826
  163   2HB   PRO  27          1HB       PRO  27  -5.053   8.547   2.245
  164   1HG   PRO  27          2HG       PRO  27  -6.301   5.909   2.873
  165   2HG   PRO  27          1HG       PRO  27  -6.768   7.115   1.662
  166   1HD   PRO  27          2HD       PRO  27  -5.390   4.889   1.009
  167   2HD   PRO  27          1HD       PRO  27  -5.145   6.435   0.161
  168    H    THR  28           H        THR  28  -1.460   6.619   3.855
  169    HA   THR  28           HA       THR  28  -1.310   4.398   5.222
  170    HB   THR  28           HB       THR  28  -0.090   5.700   7.037
  171    HG1  THR  28           HG1      THR  28   0.026   8.025   6.192
  172   1HG2  THR  28          3HG2      THR  28   0.410   5.347   4.287
  173   2HG2  THR  28          2HG2      THR  28   0.900   7.003   4.649
  174   3HG2  THR  28          1HG2      THR  28   1.602   5.659   5.549
  175    H    GLY  29           H        GLY  29  -3.411   3.993   5.307
  176   1HA   GLY  29          2HA       GLY  29  -4.475   3.696   7.969
  177   2HA   GLY  29          1HA       GLY  29  -5.518   4.653   6.906
  178    H    CYS  30           HN       CAG  30  -4.258   2.964   4.543
  179    HA   CYS  30           HA       CAG  30  -6.324   1.301   3.900
  180   1HB   CYS  30          2HB       CAG  30  -4.126   1.855   2.723
  181   2HB   CYS  30          1HB       CAG  30  -3.413   0.529   3.637
  182    H    ASN  31           H        ASN  31  -7.321  -0.333   4.967
  183    HA   ASN  31           HA       ASN  31  -5.677  -2.291   6.504
  184   1HB   ASN  31          2HB       ASN  31  -7.844  -0.452   7.465
  185   2HB   ASN  31          1HB       ASN  31  -7.701  -2.047   8.206
  186   1HD2  ASN  31          2HD2      ASN  31  -5.483   0.382  10.045
  187   2HD2  ASN  31          1HD2      ASN  31  -7.140   0.362   9.680
  188    H    SER  32           H        SER  32  -7.318  -2.215   3.915
  189    HA   SER  32           HA       SER  32  -9.076  -4.555   4.570
  190   1HB   SER  32          2HB       SER  32 -10.546  -2.717   4.247
  191   2HB   SER  32          1HB       SER  32  -9.577  -2.071   2.925
  192    HG   SER  32           HG       SER  32 -10.875  -3.173   1.698
  193    H    ASP  33           H        ASP  33  -9.576  -5.821   2.482
  194    HA   ASP  33           HA       ASP  33  -7.051  -6.154   0.955
  195   1HB   ASP  33          2HB       ASP  33  -9.609  -7.751   1.269
  196   2HB   ASP  33          1HB       ASP  33  -8.286  -8.248   0.213
  197    H    ASP  34           H        ASP  34 -10.472  -5.367   0.437
  198    HA   ASP  34           HA       ASP  34 -10.040  -5.093  -2.460
  199   1HB   ASP  34          2HB       ASP  34 -12.109  -6.087  -1.105
  200   2HB   ASP  34          1HB       ASP  34 -12.595  -4.393  -1.053
  201    H    LYS  35           H        LYS  35  -8.801  -3.414  -0.494
  202    HA   LYS  35           HA       LYS  35  -9.614  -0.795  -1.606
  203   1HB   LYS  35          2HB       LYS  35 -10.293  -1.480   0.908
  204   2HB   LYS  35          1HB       LYS  35  -8.624  -1.000   1.218
  205   1HG   LYS  35          2HG       LYS  35  -9.032   1.211   0.771
  206   2HG   LYS  35          1HG       LYS  35 -10.243   0.845  -0.460
  207   1HD   LYS  35          2HD       LYS  35 -11.188  -0.093   2.085
  208   2HD   LYS  35          1HD       LYS  35 -10.693   1.593   2.243
  209   1HE   LYS  35          2HE       LYS  35 -12.517   0.569   0.039
  210   2HE   LYS  35          1HE       LYS  35 -13.087   1.362   1.522
  211   1HZ   LYS  35          3HZ       LYS  35 -10.992   2.568  -0.182
  212   2HZ   LYS  35          2HZ       LYS  35 -12.640   2.852  -0.475
  213   3HZ   LYS  35          1HZ       LYS  35 -11.945   3.318   1.003
  214    H    CYS  36           HN       CAG  36  -7.678  -2.818  -2.221
  215    HA   CYS  36           HA       CAG  36  -5.187  -1.218  -1.908
  216   1HB   CYS  36          2HB       CAG  36  -5.673  -3.340  -0.431
  217   2HB   CYS  36          1HB       CAG  36  -5.145  -4.174  -1.863
  218    HA   PRO  37           HA       PRO  37  -5.638  -2.731  -6.137
  219   1HB   PRO  37          2HB       PRO  37  -6.054  -0.258  -7.306
  220   2HB   PRO  37          1HB       PRO  37  -7.363  -1.309  -6.732
  221   1HG   PRO  37          2HG       PRO  37  -6.459   1.205  -5.632
  222   2HG   PRO  37          1HG       PRO  37  -7.878   0.244  -5.205
  223   1HD   PRO  37          2HD       PRO  37  -5.312   0.437  -3.853
  224   2HD   PRO  37          1HD       PRO  37  -6.847  -0.257  -3.283
  225    H    CYS  38           HN       CAG  38  -3.439  -2.428  -4.523
  226    HA   CYS  38           HA       CAG  38  -1.485  -0.572  -5.666
  227   1HB   CYS  38          2HB       CAG  38  -1.975  -1.742  -3.342
  228   2HB   CYS  38          1HB       CAG  38  -0.827  -2.903  -3.965
  229    H    GLY  39           H        GLY  39  -2.739  -2.994  -6.945
  230   1HA   GLY  39          2HA       GLY  39  -0.432  -4.600  -7.788
  231   2HA   GLY  39          1HA       GLY  39  -2.097  -4.853  -8.314
  232    H    ASN  40           HN       ASN  40  -0.378  -1.760  -8.468
  233    HA   ASN  40           HA       ASN  40  -1.032  -1.500 -11.308
  234   1HB   ASN  40          2HB       ASN  40  -0.009   0.712 -10.982
  235   2HB   ASN  40          1HB       ASN  40  -1.079   0.344  -9.629
  236   1HD2  ASN  40          2HD2      ASN  40   1.544   0.198  -7.238
  237   2HD2  ASN  40          1HD2      ASN  40  -0.097  -0.115  -7.539
   
  Start of MODEL    5
    1   1H    GLN   1          2H        GLN   1  -0.185  14.734  -5.088
    2   2H    GLN   1          1H        GLN   1  -0.568  14.127  -6.628
    3   3H    GLN   1          3H        GLN   1  -1.471  13.640  -5.278
    4    HA   GLN   1           HA       GLN   1   0.084  11.893  -5.940
    5   1HB   GLN   1          2HB       GLN   1   1.706  14.305  -6.147
    6   2HB   GLN   1          1HB       GLN   1   2.536  13.052  -5.223
    7   1HG   GLN   1          2HG       GLN   1   1.961  11.432  -7.082
    8   2HG   GLN   1          1HG       GLN   1   1.401  12.817  -8.021
    9   1HE2  GLN   1          2HE2      GLN   1   5.154  12.033  -8.493
   10   2HE2  GLN   1          1HE2      GLN   1   3.844  10.962  -8.357
   11    H    ASN   2           H        ASN   2  -1.326  11.747  -3.831
   12    HA   ASN   2           HA       ASN   2   0.126  12.331  -1.332
   13   1HB   ASN   2          2HB       ASN   2  -2.569  11.673  -2.249
   14   2HB   ASN   2          1HB       ASN   2  -2.131  10.781  -0.792
   15   1HD2  ASN   2          2HD2      ASN   2  -2.024  14.895  -0.548
   16   2HD2  ASN   2          1HD2      ASN   2  -1.570  14.145  -2.001
   17    H    GLU   3           H        GLU   3   1.493  10.476  -3.063
   18    HA   GLU   3           HA       GLU   3   1.261   7.956  -1.437
   19   1HB   GLU   3          2HB       GLU   3   1.960   6.802  -3.542
   20   2HB   GLU   3          1HB       GLU   3   0.475   7.720  -3.793
   21   1HG   GLU   3          2HG       GLU   3   1.531   8.713  -5.523
   22   2HG   GLU   3          1HG       GLU   3   2.502   9.560  -4.318
   23    H    GLY   4           H        GLY   4   2.873  10.264  -0.952
   24   1HA   GLY   4          2HA       GLY   4   5.638   9.240  -1.454
   25   2HA   GLY   4          1HA       GLY   4   5.253  10.897  -0.953
   26    H    HIS   5           H        HIS   5   4.109   7.762   0.190
   27    HA   HIS   5           HA       HIS   5   4.943   8.546   2.965
   28   1HB   HIS   5          2HB       HIS   5   2.847   7.400   3.621
   29   2HB   HIS   5          1HB       HIS   5   2.540   8.714   2.490
   30    HD1  HIS   5           HD1      HIS   5   3.932   5.959   0.564
   31    HD2  HIS   5           HD2      HIS   5   0.170   6.892   2.006
   32    HE1  HIS   5           HE1      HIS   5   2.263   4.534  -0.710
   33    H    GLU   6           H        GLU   6   4.535   6.395   4.370
   34    HA   GLU   6           HA       GLU   6   6.366   4.349   3.249
   35   1HB   GLU   6          2HB       GLU   6   5.112   4.841   5.967
   36   2HB   GLU   6          1HB       GLU   6   6.178   3.480   5.615
   37   1HG   GLU   6          2HG       GLU   6   7.974   5.023   4.978
   38   2HG   GLU   6          1HG       GLU   6   6.915   6.401   5.279
   39    H    CYS   7           HN       CNP   7   5.491   2.523   2.398
   40    HA   CYS   7           HA       CNP   7   2.860   2.086   1.723
   41   1HB   CYS   7          2HB       CNP   7   4.818   0.763   1.071
   42   2HB   CYS   7          1HB       CNP   7   4.876   0.030   2.666
   43    H    GLN   8           H        GLN   8   1.181   2.448   3.168
   44    HA   GLN   8           HA       GLN   8   1.373   1.270   5.889
   45   1HB   GLN   8          2HB       GLN   8   0.465   3.672   4.742
   46   2HB   GLN   8          1HB       GLN   8  -0.990   2.827   5.284
   47   1HG   GLN   8          2HG       GLN   8  -0.497   3.567   7.346
   48   2HG   GLN   8          1HG       GLN   8   0.826   2.403   7.334
   49   1HE2  GLN   8          2HE2      GLN   8   2.180   5.860   8.004
   50   2HE2  GLN   8          1HE2      GLN   8   0.969   4.929   8.743
   51    H    CYS   9           HN       CAG   9   0.768  -0.300   3.342
   52    HA   CYS   9           HA       CAG   9  -2.063  -1.013   3.543
   53   1HB   CYS   9          2HB       CAG   9   0.414  -1.990   2.142
   54   2HB   CYS   9          1HB       CAG   9  -1.179  -2.706   1.845
   55    H    GLN  10           H        GLN  10  -2.822  -2.538   5.008
   56    HA   GLN  10           HA       GLN  10  -0.887  -4.107   6.601
   57   1HB   GLN  10          2HB       GLN  10  -2.713  -3.006   7.745
   58   2HB   GLN  10          1HB       GLN  10  -3.892  -3.682   6.620
   59   1HG   GLN  10          2HG       GLN  10  -3.999  -5.637   7.741
   60   2HG   GLN  10          1HG       GLN  10  -2.246  -5.731   7.903
   61   1HE2  GLN  10          2HE2      GLN  10  -2.184  -4.156  11.109
   62   2HE2  GLN  10          1HE2      GLN  10  -1.251  -4.551   9.746
   63    H    CYS  11           HN       CNP  11  -1.798  -4.511   3.614
   64    HA   CYS  11           HA       CNP  11  -3.106  -7.063   3.494
   65   1HB   CYS  11          2HB       CNP  11  -1.374  -5.593   1.494
   66   2HB   CYS  11          1HB       CNP  11  -2.672  -6.711   1.160
   67    H    GLY  12           H        GLY  12  -1.586  -8.466   1.709
   68   1HA   GLY  12          2HA       GLY  12   0.824  -9.212   3.302
   69   2HA   GLY  12          1HA       GLY  12  -0.098 -10.346   2.311
   70    H    SER  13           H        SER  13  -0.296  -7.983   0.304
   71    HA   SER  13           HA       SER  13   2.113  -8.750  -1.217
   72   1HB   SER  13          2HB       SER  13  -0.323  -7.024  -1.754
   73   2HB   SER  13          1HB       SER  13   0.938  -7.313  -2.949
   74    HG   SER  13           HG       SER  13  -0.682  -9.254  -1.648
   75    H    CYS  14           HN       CAG  14   0.732  -5.871   0.355
   76    HA   CYS  14           HA       CAG  14   2.961  -4.172  -0.469
   77   1HB   CYS  14          2HB       CAG  14   0.685  -3.608   1.461
   78   2HB   CYS  14          1HB       CAG  14   1.541  -2.513   0.425
   79    H    LYS  15           H        LYS  15   1.421  -4.889   2.651
   80    HA   LYS  15           HA       LYS  15   3.325  -4.036   4.443
   81   1HB   LYS  15          2HB       LYS  15   1.923  -5.138   5.856
   82   2HB   LYS  15          1HB       LYS  15   1.036  -5.616   4.413
   83   1HG   LYS  15          2HG       LYS  15   2.210  -7.714   4.289
   84   2HG   LYS  15          1HG       LYS  15   3.350  -7.217   5.539
   85   1HD   LYS  15          2HD       LYS  15   0.813  -6.870   6.688
   86   2HD   LYS  15          1HD       LYS  15   0.726  -8.411   5.838
   87   1HE   LYS  15          2HE       LYS  15   1.793  -9.306   7.634
   88   2HE   LYS  15          1HE       LYS  15   3.242  -8.447   7.078
   89   1HZ   LYS  15          1HZ       LYS  15   2.473  -6.476   8.266
   90   2HZ   LYS  15          3HZ       LYS  15   1.123  -7.327   8.838
   91   3HZ   LYS  15          2HZ       LYS  15   2.684  -7.782   9.331
   92    H    ASN  16           H        ASN  16   3.643  -6.798   2.276
   93    HA   ASN  16           HA       ASN  16   6.220  -7.533   3.627
   94   1HB   ASN  16          2HB       ASN  16   4.059  -8.989   2.172
   95   2HB   ASN  16          1HB       ASN  16   5.698  -9.625   2.038
   96   1HD2  ASN  16          2HD2      ASN  16   5.836  -9.925   5.765
   97   2HD2  ASN  16          1HD2      ASN  16   6.723  -9.066   4.600
   98    H    ASN  17           H        ASN  17   4.971  -7.931   0.283
   99    HA   ASN  17           HA       ASN  17   7.424  -7.856  -1.066
  100   1HB   ASN  17          2HB       ASN  17   4.775  -7.986  -1.715
  101   2HB   ASN  17          1HB       ASN  17   5.185  -6.381  -2.323
  102   1HD2  ASN  17          2HD2      ASN  17   5.956  -8.863  -5.017
  103   2HD2  ASN  17          1HD2      ASN  17   4.552  -8.405  -4.179
  104    H    GLU  18           H        GLU  18   8.943  -6.338  -0.417
  105    HA   GLU  18           HA       GLU  18   8.277  -3.567   0.083
  106   1HB   GLU  18          2HB       GLU  18  10.683  -3.363   0.399
  107   2HB   GLU  18          1HB       GLU  18  10.149  -4.887   1.108
  108   1HG   GLU  18          2HG       GLU  18  10.687  -5.503  -1.571
  109   2HG   GLU  18          1HG       GLU  18  12.005  -4.437  -1.082
  110    H    GLN  19           H        GLN  19   8.296  -5.206  -2.748
  111    HA   GLN  19           HA       GLN  19   9.780  -3.368  -4.441
  112   1HB   GLN  19          2HB       GLN  19   7.772  -5.578  -4.880
  113   2HB   GLN  19          1HB       GLN  19   8.468  -4.676  -6.227
  114   1HG   GLN  19          2HG       GLN  19  10.504  -5.576  -4.335
  115   2HG   GLN  19          1HG       GLN  19   9.588  -6.919  -5.020
  116   1HE2  GLN  19          2HE2      GLN  19  12.119  -6.513  -7.576
  117   2HE2  GLN  19          1HE2      GLN  19  11.842  -7.299  -6.098
  118    H    CYS  20           HN       CAG  20   6.742  -3.338  -3.001
  119    HA   CYS  20           HA       CAG  20   5.829  -1.074  -4.702
  120   1HB   CYS  20          2HB       CAG  20   3.640  -2.042  -4.530
  121   2HB   CYS  20          1HB       CAG  20   4.735  -3.358  -4.932
  122    H    GLN  21           H        GLN  21   6.968  -1.942  -1.717
  123    HA   GLN  21           HA       GLN  21   5.074  -0.568   0.001
  124   1HB   GLN  21          2HB       GLN  21   7.787  -1.823   0.222
  125   2HB   GLN  21          1HB       GLN  21   7.174  -0.854   1.557
  126   1HG   GLN  21          2HG       GLN  21   5.026  -2.290   1.340
  127   2HG   GLN  21          1HG       GLN  21   6.039  -3.397   0.417
  128   1HE2  GLN  21          2HE2      GLN  21   8.275  -3.424   3.536
  129   2HE2  GLN  21          1HE2      GLN  21   8.474  -2.627   2.051
  130    H    LYS  22           H        LYS  22   6.225   1.137  -2.227
  131    HA   LYS  22           HA       LYS  22   7.205   3.299  -0.445
  132   1HB   LYS  22          2HB       LYS  22   9.131   3.561  -2.175
  133   2HB   LYS  22          1HB       LYS  22   9.255   2.335  -0.918
  134   1HG   LYS  22          2HG       LYS  22   8.291   0.674  -2.560
  135   2HG   LYS  22          1HG       LYS  22   8.432   1.919  -3.803
  136   1HD   LYS  22          2HD       LYS  22  10.818   2.003  -3.569
  137   2HD   LYS  22          1HD       LYS  22  10.771   1.018  -2.105
  138   1HE   LYS  22          2HE       LYS  22   9.613  -0.760  -3.668
  139   2HE   LYS  22          1HE       LYS  22  10.397   0.166  -4.964
  140   1HZ   LYS  22          1HZ       LYS  22  12.369   0.072  -3.207
  141   2HZ   LYS  22          3HZ       LYS  22  11.600  -1.387  -2.808
  142   3HZ   LYS  22          2HZ       LYS  22  12.151  -1.125  -4.393
  143    H    SER  23           H        SER  23   5.046   2.674  -2.760
  144    HA   SER  23           HA       SER  23   5.072   5.483  -3.618
  145   1HB   SER  23          2HB       SER  23   5.690   3.195  -5.489
  146   2HB   SER  23          1HB       SER  23   5.187   4.781  -6.067
  147    HG   SER  23           HG       SER  23   6.964   5.594  -4.711
  148    H    CYS  24           HN       CNP  24   2.999   4.220  -2.265
  149    HA   CYS  24           HA       CNP  24   0.911   3.931  -4.337
  150   1HB   CYS  24          2HB       CNP  24  -0.200   2.941  -2.148
  151   2HB   CYS  24          1HB       CNP  24   0.758   1.995  -3.222
  152    H    SER  25           H        SER  25  -1.113   5.019  -3.964
  153    HA   SER  25           HA       SER  25  -0.764   7.537  -2.447
  154   1HB   SER  25          2HB       SER  25  -2.397   8.308  -3.886
  155   2HB   SER  25          1HB       SER  25  -1.939   6.889  -4.825
  156    HG   SER  25           HG       SER  25  -3.741   5.919  -4.245
  157    H    CYS  26           HN       CAG  26  -1.365   4.569  -1.462
  158    HA   CYS  26           HA       CAG  26  -3.832   4.527  -0.116
  159   1HB   CYS  26          2HB       CAG  26  -1.044   3.474   0.434
  160   2HB   CYS  26          1HB       CAG  26  -2.474   2.951   1.320
  161    HA   PRO  27           HA       PRO  27  -2.903   8.038   2.555
  162   1HB   PRO  27          2HB       PRO  27  -5.307   7.943   3.887
  163   2HB   PRO  27          1HB       PRO  27  -5.105   8.722   2.304
  164   1HG   PRO  27          2HG       PRO  27  -6.122   5.986   2.949
  165   2HG   PRO  27          1HG       PRO  27  -6.756   7.178   1.799
  166   1HD   PRO  27          2HD       PRO  27  -5.275   5.107   0.969
  167   2HD   PRO  27          1HD       PRO  27  -5.121   6.711   0.210
  168    H    THR  28           H        THR  28  -1.335   7.134   3.793
  169    HA   THR  28           HA       THR  28  -0.907   4.994   5.238
  170    HB   THR  28           HB       THR  28   0.165   6.532   6.992
  171    HG1  THR  28           HG1      THR  28  -0.064   8.685   6.665
  172   1HG2  THR  28          3HG2      THR  28   0.938   5.802   4.539
  173   2HG2  THR  28          2HG2      THR  28   0.824   7.541   4.269
  174   3HG2  THR  28          1HG2      THR  28   1.892   6.912   5.523
  175    H    GLY  29           H        GLY  29  -3.051   4.455   5.417
  176   1HA   GLY  29          2HA       GLY  29  -3.906   4.137   8.143
  177   2HA   GLY  29          1HA       GLY  29  -5.068   5.033   7.156
  178    H    CYS  30           HN       CAG  30  -3.729   3.250   4.777
  179    HA   CYS  30           HA       CAG  30  -5.866   1.562   4.326
  180   1HB   CYS  30          2HB       CAG  30  -3.720   2.199   3.043
  181   2HB   CYS  30          1HB       CAG  30  -3.033   0.756   3.770
  182    H    ASN  31           H        ASN  31  -6.636   0.510   6.152
  183    HA   ASN  31           HA       ASN  31  -4.902  -1.641   7.333
  184   1HB   ASN  31          2HB       ASN  31  -7.039   0.192   8.343
  185   2HB   ASN  31          1HB       ASN  31  -7.002  -1.435   9.023
  186   1HD2  ASN  31          2HD2      ASN  31  -4.250   1.257  10.207
  187   2HD2  ASN  31          1HD2      ASN  31  -5.565   1.674   9.218
  188    H    SER  32           H        SER  32  -8.378  -1.001   6.845
  189    HA   SER  32           HA       SER  32  -8.791  -3.825   5.968
  190   1HB   SER  32          2HB       SER  32 -11.243  -2.810   6.092
  191   2HB   SER  32          1HB       SER  32 -10.389  -3.220   7.577
  192    HG   SER  32           HG       SER  32 -10.499  -1.191   8.071
  193    H    ASP  33           H        ASP  33  -7.861  -3.611   3.864
  194    HA   ASP  33           HA       ASP  33  -9.567  -2.129   1.943
  195   1HB   ASP  33          2HB       ASP  33  -6.624  -1.812   2.484
  196   2HB   ASP  33          1HB       ASP  33  -7.286  -1.445   0.892
  197    H    ASP  34           H        ASP  34 -10.152  -4.422   1.646
  198    HA   ASP  34           HA       ASP  34  -8.216  -6.202   0.382
  199   1HB   ASP  34          2HB       ASP  34  -9.845  -7.198   1.848
  200   2HB   ASP  34          1HB       ASP  34 -11.165  -6.341   1.052
  201    H    LYS  35           H        LYS  35  -8.930  -3.659  -0.764
  202    HA   LYS  35           HA       LYS  35  -9.648  -4.544  -3.494
  203   1HB   LYS  35          2HB       LYS  35 -11.502  -3.282  -2.223
  204   2HB   LYS  35          1HB       LYS  35 -10.416  -1.892  -2.223
  205   1HG   LYS  35          2HG       LYS  35 -10.407  -2.794  -4.873
  206   2HG   LYS  35          1HG       LYS  35 -12.092  -2.910  -4.368
  207   1HD   LYS  35          2HD       LYS  35 -11.290  -0.478  -3.306
  208   2HD   LYS  35          1HD       LYS  35 -10.460  -0.527  -4.862
  209   1HE   LYS  35          2HE       LYS  35 -12.402  -0.040  -5.914
  210   2HE   LYS  35          1HE       LYS  35 -13.147  -1.496  -5.223
  211   1HZ   LYS  35          2HZ       LYS  35 -12.696   0.783  -3.445
  212   2HZ   LYS  35          1HZ       LYS  35 -13.974   0.907  -4.558
  213   3HZ   LYS  35          3HZ       LYS  35 -13.949  -0.364  -3.435
  214    H    CYS  36           HN       CAG  36  -7.253  -4.261  -2.008
  215    HA   CYS  36           HA       CAG  36  -5.860  -2.047  -3.436
  216   1HB   CYS  36          2HB       CAG  36  -6.026  -1.950  -0.899
  217   2HB   CYS  36          1HB       CAG  36  -4.994  -3.377  -0.891
  218    HA   PRO  37           HA       PRO  37  -3.751  -5.789  -4.645
  219   1HB   PRO  37          2HB       PRO  37  -4.481  -5.597  -7.326
  220   2HB   PRO  37          1HB       PRO  37  -5.410  -6.490  -6.108
  221   1HG   PRO  37          2HG       PRO  37  -6.184  -4.099  -7.470
  222   2HG   PRO  37          1HG       PRO  37  -7.072  -4.987  -6.226
  223   1HD   PRO  37          2HD       PRO  37  -5.386  -2.582  -5.970
  224   2HD   PRO  37          1HD       PRO  37  -6.762  -3.140  -4.982
  225    H    CYS  38           HN       CAG  38  -2.929  -3.221  -4.010
  226    HA   CYS  38           HA       CAG  38  -1.494  -1.818  -6.072
  227   1HB   CYS  38          2HB       CAG  38  -2.013  -0.595  -4.257
  228   2HB   CYS  38          1HB       CAG  38  -1.839  -1.921  -3.134
  229    H    GLY  39           H        GLY  39   0.397  -2.024  -6.798
  230   1HA   GLY  39          2HA       GLY  39   2.380  -3.865  -5.549
  231   2HA   GLY  39          1HA       GLY  39   2.004  -4.043  -7.267
  232    H    ASN  40           HN       ASN  40   1.669  -0.827  -6.408
  233    HA   ASN  40           HA       ASN  40   4.513  -0.076  -6.672
  234   1HB   ASN  40          2HB       ASN  40   4.081   1.099  -8.835
  235   2HB   ASN  40          1HB       ASN  40   3.866  -0.648  -8.967
  236   1HD2  ASN  40          2HD2      ASN  40   0.542   1.774  -9.098
  237   2HD2  ASN  40          1HD2      ASN  40   1.965   2.355  -8.380
   
  Start of MODEL    6
    1   1H    GLN   1          1H        GLN   1  -1.491  11.584  -6.353
    2   2H    GLN   1          3H        GLN   1  -1.635  10.833  -7.867
    3   3H    GLN   1          2H        GLN   1  -1.873   9.931  -6.447
    4    HA   GLN   1           HA       GLN   1   0.268   9.309  -7.013
    5   1HB   GLN   1          2HB       GLN   1   1.781  10.891  -8.110
    6   2HB   GLN   1          1HB       GLN   1   0.214  10.935  -8.919
    7   1HG   GLN   1          2HG       GLN   1  -0.074  13.107  -8.398
    8   2HG   GLN   1          1HG       GLN   1   0.276  12.799  -6.697
    9   1HE2  GLN   1          2HE2      GLN   1   3.697  13.287  -8.893
   10   2HE2  GLN   1          1HE2      GLN   1   2.550  12.125  -9.357
   11    H    ASN   2           H        ASN   2  -0.969  10.488  -4.546
   12    HA   ASN   2           HA       ASN   2   1.256  11.942  -3.245
   13   1HB   ASN   2          2HB       ASN   2  -1.427  12.109  -3.075
   14   2HB   ASN   2          1HB       ASN   2  -1.143  10.953  -1.774
   15   1HD2  ASN   2          2HD2      ASN   2  -0.438  13.674   0.354
   16   2HD2  ASN   2          1HD2      ASN   2  -1.366  12.280   0.075
   17    H    GLU   3           H        GLU   3   1.792   9.199  -4.091
   18    HA   GLU   3           HA       GLU   3   1.725   7.558  -1.612
   19   1HB   GLU   3          2HB       GLU   3   2.647   5.857  -3.161
   20   2HB   GLU   3          1HB       GLU   3   1.250   6.648  -3.892
   21   1HG   GLU   3          2HG       GLU   3   3.629   8.152  -4.499
   22   2HG   GLU   3          1HG       GLU   3   3.863   6.464  -4.959
   23    H    GLY   4           H        GLY   4   3.252   9.967  -1.563
   24   1HA   GLY   4          2HA       GLY   4   6.084   9.079  -1.664
   25   2HA   GLY   4          1HA       GLY   4   5.532  10.723  -1.293
   26    H    HIS   5           H        HIS   5   4.658   7.534  -0.022
   27    HA   HIS   5           HA       HIS   5   5.325   8.527   2.734
   28   1HB   HIS   5          2HB       HIS   5   3.179   7.527   3.419
   29   2HB   HIS   5          1HB       HIS   5   2.922   8.706   2.138
   30    HD1  HIS   5           HD1      HIS   5   4.314   5.809   0.499
   31    HD2  HIS   5           HD2      HIS   5   0.527   6.782   1.864
   32    HE1  HIS   5           HE1      HIS   5   2.698   4.190  -0.561
   33    H    GLU   6           H        GLU   6   4.830   6.424   4.242
   34    HA   GLU   6           HA       GLU   6   6.646   4.304   3.228
   35   1HB   GLU   6          2HB       GLU   6   5.361   4.947   5.895
   36   2HB   GLU   6          1HB       GLU   6   6.313   3.489   5.619
   37   1HG   GLU   6          2HG       GLU   6   8.258   4.835   5.001
   38   2HG   GLU   6          1HG       GLU   6   7.319   6.317   5.190
   39    H    CYS   7           HN       CNP   7   5.708   2.474   2.381
   40    HA   CYS   7           HA       CNP   7   2.990   2.216   1.815
   41   1HB   CYS   7          2HB       CNP   7   5.009   0.886   1.031
   42   2HB   CYS   7          1HB       CNP   7   4.818  -0.099   2.474
   43    H    GLN   8           H        GLN   8   1.393   2.408   3.307
   44    HA   GLN   8           HA       GLN   8   1.794   1.238   6.023
   45   1HB   GLN   8          2HB       GLN   8   0.106   3.346   4.736
   46   2HB   GLN   8          1HB       GLN   8  -0.501   2.587   6.209
   47   1HG   GLN   8          2HG       GLN   8   2.341   3.327   6.348
   48   2HG   GLN   8          1HG       GLN   8   1.260   4.705   6.144
   49   1HE2  GLN   8          2HE2      GLN   8   1.125   4.446   9.728
   50   2HE2  GLN   8          1HE2      GLN   8   1.946   5.219   8.459
   51    H    CYS   9           HN       CAG   9   1.109  -0.375   3.524
   52    HA   CYS   9           HA       CAG   9  -1.657  -1.196   3.752
   53   1HB   CYS   9          2HB       CAG   9   0.888  -2.044   2.458
   54   2HB   CYS   9          1HB       CAG   9  -0.440  -3.210   2.483
   55    H    GLN  10           H        GLN  10  -2.503  -2.566   5.304
   56    HA   GLN  10           HA       GLN  10  -0.663  -3.908   7.197
   57   1HB   GLN  10          2HB       GLN  10  -3.189  -2.689   7.298
   58   2HB   GLN  10          1HB       GLN  10  -3.521  -4.411   7.498
   59   1HG   GLN  10          2HG       GLN  10  -1.694  -4.457   9.253
   60   2HG   GLN  10          1HG       GLN  10  -1.658  -2.696   9.157
   61   1HE2  GLN  10          2HE2      GLN  10  -4.064  -2.997  11.806
   62   2HE2  GLN  10          1HE2      GLN  10  -2.410  -2.772  11.491
   63    H    CYS  11           HN       CNP  11  -1.278  -4.690   4.247
   64    HA   CYS  11           HA       CNP  11  -2.553  -7.291   4.396
   65   1HB   CYS  11          2HB       CNP  11  -0.892  -6.090   2.183
   66   2HB   CYS  11          1HB       CNP  11  -2.269  -7.151   2.063
   67    H    GLY  12           H        GLY  12  -0.977  -8.710   2.669
   68   1HA   GLY  12          2HA       GLY  12   1.515  -9.202   4.244
   69   2HA   GLY  12          1HA       GLY  12   0.633 -10.464   3.377
   70    H    SER  13           H        SER  13   0.188  -8.245   1.239
   71    HA   SER  13           HA       SER  13   2.453  -9.015  -0.443
   72   1HB   SER  13          2HB       SER  13   1.145  -8.029  -2.144
   73   2HB   SER  13          1HB       SER  13  -0.066  -8.590  -0.995
   74    HG   SER  13           HG       SER  13  -0.581  -6.590  -0.614
   75    H    CYS  14           HN       CAG  14   1.340  -6.035   1.196
   76    HA   CYS  14           HA       CAG  14   3.619  -4.501   0.197
   77   1HB   CYS  14          2HB       CAG  14   1.365  -3.879   2.155
   78   2HB   CYS  14          1HB       CAG  14   2.404  -2.757   1.350
   79    H    LYS  15           H        LYS  15   2.262  -5.265   3.407
   80    HA   LYS  15           HA       LYS  15   4.201  -4.425   5.150
   81   1HB   LYS  15          2HB       LYS  15   2.740  -7.080   5.033
   82   2HB   LYS  15          1HB       LYS  15   3.582  -6.495   6.467
   83   1HG   LYS  15          2HG       LYS  15   2.138  -4.346   6.144
   84   2HG   LYS  15          1HG       LYS  15   1.120  -5.381   5.143
   85   1HD   LYS  15          2HD       LYS  15   0.222  -5.513   7.361
   86   2HD   LYS  15          1HD       LYS  15   1.087  -7.024   7.088
   87   1HE   LYS  15          2HE       LYS  15   1.669  -6.132   9.307
   88   2HE   LYS  15          1HE       LYS  15   3.086  -6.025   8.245
   89   1HZ   LYS  15          1HZ       LYS  15   1.240  -3.794   8.099
   90   2HZ   LYS  15          3HZ       LYS  15   2.078  -3.932   9.567
   91   3HZ   LYS  15          2HZ       LYS  15   2.940  -3.799   8.109
   92    H    ASN  16           H        ASN  16   4.559  -7.068   2.834
   93    HA   ASN  16           HA       ASN  16   7.249  -7.698   3.991
   94   1HB   ASN  16          2HB       ASN  16   5.259  -9.216   2.291
   95   2HB   ASN  16          1HB       ASN  16   6.893  -9.807   2.595
   96   1HD2  ASN  16          2HD2      ASN  16   4.292  -9.583   5.784
   97   2HD2  ASN  16          1HD2      ASN  16   4.092  -8.511   4.483
   98    H    ASN  17           H        ASN  17   5.929  -8.154   0.709
   99    HA   ASN  17           HA       ASN  17   8.298  -7.768  -0.722
  100   1HB   ASN  17          2HB       ASN  17   5.777  -8.367  -1.339
  101   2HB   ASN  17          1HB       ASN  17   5.739  -6.664  -1.804
  102   1HD2  ASN  17          2HD2      ASN  17   6.978  -8.775  -4.696
  103   2HD2  ASN  17          1HD2      ASN  17   5.593  -8.871  -3.718
  104    H    GLU  18           H        GLU  18   9.660  -6.075  -0.343
  105    HA   GLU  18           HA       GLU  18   8.651  -3.361   0.141
  106   1HB   GLU  18          2HB       GLU  18  11.303  -4.778   0.004
  107   2HB   GLU  18          1HB       GLU  18  11.261  -3.014  -0.009
  108   1HG   GLU  18          2HG       GLU  18   9.571  -3.458   2.036
  109   2HG   GLU  18          1HG       GLU  18  10.562  -4.910   2.176
  110    H    GLN  19           H        GLN  19   8.698  -5.114  -2.569
  111    HA   GLN  19           HA       GLN  19  10.090  -3.310  -4.393
  112   1HB   GLN  19          2HB       GLN  19   9.197  -5.936  -4.380
  113   2HB   GLN  19          1HB       GLN  19   8.110  -5.144  -5.519
  114   1HG   GLN  19          2HG       GLN  19   9.854  -4.523  -6.954
  115   2HG   GLN  19          1HG       GLN  19  11.075  -4.670  -5.689
  116   1HE2  GLN  19          2HE2      GLN  19  11.870  -7.889  -6.868
  117   2HE2  GLN  19          1HE2      GLN  19  12.423  -6.362  -6.376
  118    H    CYS  20           HN       CAG  20   7.068  -3.367  -2.934
  119    HA   CYS  20           HA       CAG  20   5.997  -1.337  -4.828
  120   1HB   CYS  20          2HB       CAG  20   3.901  -2.456  -4.630
  121   2HB   CYS  20          1HB       CAG  20   5.090  -3.731  -4.838
  122    H    GLN  21           H        GLN  21   7.160  -1.861  -1.767
  123    HA   GLN  21           HA       GLN  21   5.157  -0.345  -0.253
  124   1HB   GLN  21          2HB       GLN  21   7.771  -1.725   0.239
  125   2HB   GLN  21          1HB       GLN  21   7.153  -0.604   1.450
  126   1HG   GLN  21          2HG       GLN  21   4.906  -2.051   0.905
  127   2HG   GLN  21          1HG       GLN  21   6.154  -3.276   0.676
  128   1HE2  GLN  21          2HE2      GLN  21   7.214  -3.185   4.117
  129   2HE2  GLN  21          1HE2      GLN  21   7.784  -3.463   2.544
  130    H    LYS  22           H        LYS  22   6.442   1.115  -2.523
  131    HA   LYS  22           HA       LYS  22   7.523   3.345  -0.880
  132   1HB   LYS  22          2HB       LYS  22   8.951   2.210  -3.291
  133   2HB   LYS  22          1HB       LYS  22   9.540   3.475  -2.211
  134   1HG   LYS  22          2HG       LYS  22   9.410   1.815  -0.320
  135   2HG   LYS  22          1HG       LYS  22   9.042   0.569  -1.513
  136   1HD   LYS  22          2HD       LYS  22  11.318   0.317  -1.516
  137   2HD   LYS  22          1HD       LYS  22  11.235   1.655  -2.661
  138   1HE   LYS  22          2HE       LYS  22  12.223   3.097  -1.201
  139   2HE   LYS  22          1HE       LYS  22  11.235   2.522   0.157
  140   1HZ   LYS  22          3HZ       LYS  22  12.593   0.421   0.030
  141   2HZ   LYS  22          2HZ       LYS  22  13.660   1.261  -0.992
  142   3HZ   LYS  22          1HZ       LYS  22  13.417   1.789   0.605
  143    H    SER  23           H        SER  23   5.293   2.585  -3.158
  144    HA   SER  23           HA       SER  23   5.164   5.376  -4.011
  145   1HB   SER  23          2HB       SER  23   6.550   3.401  -5.570
  146   2HB   SER  23          1HB       SER  23   5.143   3.951  -6.474
  147    HG   SER  23           HG       SER  23   6.751   5.833  -5.157
  148    H    CYS  24           HN       CNP  24   3.368   3.601  -2.685
  149    HA   CYS  24           HA       CNP  24   1.152   3.277  -4.612
  150   1HB   CYS  24          2HB       CNP  24   0.576   1.545  -3.213
  151   2HB   CYS  24          1HB       CNP  24   2.297   1.537  -3.013
  152    H    SER  25           H        SER  25  -0.470   4.789  -4.518
  153    HA   SER  25           HA       SER  25  -0.267   7.009  -2.662
  154   1HB   SER  25          2HB       SER  25  -1.104   7.081  -5.021
  155   2HB   SER  25          1HB       SER  25  -2.527   6.178  -4.513
  156    HG   SER  25           HG       SER  25  -3.181   7.879  -3.308
  157    H    CYS  26           HN       CAG  26  -1.021   4.098  -1.662
  158    HA   CYS  26           HA       CAG  26  -3.600   4.077  -0.582
  159   1HB   CYS  26          2HB       CAG  26  -0.852   3.110   0.110
  160   2HB   CYS  26          1HB       CAG  26  -2.134   2.920   1.306
  161    HA   PRO  27           HA       PRO  27  -3.153   7.736   1.994
  162   1HB   PRO  27          2HB       PRO  27  -5.695   7.655   3.017
  163   2HB   PRO  27          1HB       PRO  27  -5.334   8.311   1.407
  164   1HG   PRO  27          2HG       PRO  27  -6.378   5.621   2.163
  165   2HG   PRO  27          1HG       PRO  27  -6.854   6.676   0.822
  166   1HD   PRO  27          2HD       PRO  27  -5.224   4.542   0.482
  167   2HD   PRO  27          1HD       PRO  27  -5.083   6.018  -0.501
  168    H    THR  28           H        THR  28  -1.696   6.817   3.404
  169    HA   THR  28           HA       THR  28  -1.489   4.740   4.973
  170    HB   THR  28           HB       THR  28  -0.539   6.303   6.764
  171    HG1  THR  28           HG1      THR  28  -0.823   8.405   6.510
  172   1HG2  THR  28          2HG2      THR  28   0.563   5.447   4.586
  173   2HG2  THR  28          1HG2      THR  28   0.279   7.074   3.970
  174   3HG2  THR  28          3HG2      THR  28   1.301   6.833   5.387
  175    H    GLY  29           H        GLY  29  -3.614   4.230   4.944
  176   1HA   GLY  29          2HA       GLY  29  -4.812   4.083   7.558
  177   2HA   GLY  29          1HA       GLY  29  -5.830   4.914   6.373
  178    H    CYS  30           HN       CAG  30  -4.272   3.019   4.273
  179    HA   CYS  30           HA       CAG  30  -6.325   1.252   3.703
  180   1HB   CYS  30          2HB       CAG  30  -4.099   1.810   2.538
  181   2HB   CYS  30          1HB       CAG  30  -3.398   0.536   3.533
  182    H    ASN  31           H        ASN  31  -7.283  -0.270   4.953
  183    HA   ASN  31           HA       ASN  31  -5.584  -2.087   6.593
  184   1HB   ASN  31          2HB       ASN  31  -7.101   0.106   7.575
  185   2HB   ASN  31          1HB       ASN  31  -7.966  -1.358   8.042
  186   1HD2  ASN  31          2HD2      ASN  31  -4.222  -0.667   9.580
  187   2HD2  ASN  31          1HD2      ASN  31  -4.728   0.182   8.200
  188    H    SER  32           H        SER  32  -7.644  -1.947   4.165
  189    HA   SER  32           HA       SER  32  -9.266  -4.310   5.058
  190   1HB   SER  32          2HB       SER  32  -9.892  -2.179   2.989
  191   2HB   SER  32          1HB       SER  32 -10.967  -3.480   3.489
  192    HG   SER  32           HG       SER  32 -10.043  -1.250   4.961
  193    H    ASP  33           H        ASP  33  -9.925  -5.669   3.053
  194    HA   ASP  33           HA       ASP  33  -7.472  -6.177   1.452
  195   1HB   ASP  33          2HB       ASP  33  -9.765  -7.669   2.527
  196   2HB   ASP  33          1HB       ASP  33  -9.352  -8.125   0.874
  197    H    ASP  34           H        ASP  34 -10.931  -5.438   1.029
  198    HA   ASP  34           HA       ASP  34 -10.574  -5.293  -1.890
  199   1HB   ASP  34          2HB       ASP  34 -13.008  -4.876  -0.126
  200   2HB   ASP  34          1HB       ASP  34 -13.035  -5.032  -1.883
  201    H    LYS  35           H        LYS  35  -9.316  -3.484  -0.056
  202    HA   LYS  35           HA       LYS  35 -10.226  -0.957  -1.298
  203   1HB   LYS  35          2HB       LYS  35 -10.945  -1.360   1.189
  204   2HB   LYS  35          1HB       LYS  35  -9.240  -1.104   1.556
  205   1HG   LYS  35          2HG       LYS  35 -10.042   1.070   1.740
  206   2HG   LYS  35          1HG       LYS  35  -9.561   1.043   0.043
  207   1HD   LYS  35          2HD       LYS  35 -12.249   0.007   0.341
  208   2HD   LYS  35          1HD       LYS  35 -12.123   1.611   1.066
  209   1HE   LYS  35          2HE       LYS  35 -11.272   2.556  -0.997
  210   2HE   LYS  35          1HE       LYS  35 -11.143   0.946  -1.732
  211   1HZ   LYS  35          2HZ       LYS  35 -13.556   0.674  -1.288
  212   2HZ   LYS  35          1HZ       LYS  35 -13.623   2.308  -0.828
  213   3HZ   LYS  35          3HZ       LYS  35 -13.209   1.892  -2.419
  214    H    CYS  36           HN       CAG  36  -8.237  -2.982  -1.773
  215    HA   CYS  36           HA       CAG  36  -5.771  -1.293  -1.659
  216   1HB   CYS  36          2HB       CAG  36  -6.078  -3.328  -0.061
  217   2HB   CYS  36          1HB       CAG  36  -5.755  -4.258  -1.504
  218    HA   PRO  37           HA       PRO  37  -6.445  -3.124  -5.757
  219   1HB   PRO  37          2HB       PRO  37  -7.225  -0.847  -7.105
  220   2HB   PRO  37          1HB       PRO  37  -8.370  -1.961  -6.335
  221   1HG   PRO  37          2HG       PRO  37  -7.601   0.724  -5.524
  222   2HG   PRO  37          1HG       PRO  37  -8.961  -0.266  -4.987
  223   1HD   PRO  37          2HD       PRO  37  -6.454   0.225  -3.654
  224   2HD   PRO  37          1HD       PRO  37  -7.880  -0.658  -3.065
  225    H    CYS  38           HN       CAG  38  -4.254  -2.208  -4.230
  226    HA   CYS  38           HA       CAG  38  -2.653  -0.378  -5.906
  227   1HB   CYS  38          2HB       CAG  38  -2.492  -0.093  -3.634
  228   2HB   CYS  38          1HB       CAG  38  -2.447  -1.806  -3.279
  229    H    GLY  39           H        GLY  39  -1.032  -0.871  -7.045
  230   1HA   GLY  39          2HA       GLY  39  -0.060  -3.679  -7.268
  231   2HA   GLY  39          1HA       GLY  39  -0.509  -2.798  -8.734
  232    H    ASN  40           HN       ASN  40   0.639  -0.601  -6.493
  233    HA   ASN  40           HA       ASN  40   3.515  -0.959  -7.088
  234   1HB   ASN  40          2HB       ASN  40   3.478   1.374  -8.193
  235   2HB   ASN  40          1HB       ASN  40   2.836   0.033  -9.142
  236   1HD2  ASN  40          2HD2      ASN  40   0.366   3.047  -7.996
  237   2HD2  ASN  40          1HD2      ASN  40   2.006   3.041  -7.557
   
  Start of MODEL    7
    1   1H    GLN   1          2H        GLN   1  -4.744   9.015  -1.033
    2   2H    GLN   1          1H        GLN   1  -5.813  10.196  -0.441
    3   3H    GLN   1          3H        GLN   1  -5.513  10.084  -2.107
    4    HA   GLN   1           HA       GLN   1  -4.288  11.953  -1.207
    5   1HB   GLN   1          2HB       GLN   1  -3.881   9.879   0.840
    6   2HB   GLN   1          1HB       GLN   1  -2.421  10.798   0.470
    7   1HG   GLN   1          2HG       GLN   1  -4.238  12.813   0.592
    8   2HG   GLN   1          1HG       GLN   1  -4.934  11.690   1.760
    9   1HE2  GLN   1          2HE2      GLN   1  -1.584  11.740   3.531
   10   2HE2  GLN   1          1HE2      GLN   1  -2.398  10.538   2.651
   11    H    ASN   2           H        ASN   2  -1.636  11.978  -1.246
   12    HA   ASN   2           HA       ASN   2  -0.911  10.855  -3.823
   13   1HB   ASN   2          2HB       ASN   2  -0.155  12.992  -2.394
   14   2HB   ASN   2          1HB       ASN   2   1.109  11.879  -1.869
   15   1HD2  ASN   2          2HD2      ASN   2   0.989  13.034  -5.814
   16   2HD2  ASN   2          1HD2      ASN   2  -0.409  13.179  -4.862
   17    H    GLU   3           H        GLU   3   1.205   9.539  -3.999
   18    HA   GLU   3           HA       GLU   3   1.191   7.389  -1.894
   19   1HB   GLU   3          2HB       GLU   3   2.000   5.980  -3.835
   20   2HB   GLU   3          1HB       GLU   3   0.413   6.690  -4.125
   21   1HG   GLU   3          2HG       GLU   3   2.573   8.469  -4.952
   22   2HG   GLU   3          1HG       GLU   3   2.628   6.920  -5.794
   23    H    GLY   4           H        GLY   4   2.710   9.805  -1.767
   24   1HA   GLY   4          2HA       GLY   4   5.510   8.866  -2.217
   25   2HA   GLY   4          1HA       GLY   4   5.048  10.538  -1.852
   26    H    HIS   5           H        HIS   5   4.112   7.457  -0.404
   27    HA   HIS   5           HA       HIS   5   4.999   8.518   2.262
   28   1HB   HIS   5          2HB       HIS   5   2.958   7.403   3.105
   29   2HB   HIS   5          1HB       HIS   5   2.569   8.577   1.853
   30    HD1  HIS   5           HD1      HIS   5   3.971   5.706   0.145
   31    HD2  HIS   5           HD2      HIS   5   0.234   6.602   1.686
   32    HE1  HIS   5           HE1      HIS   5   2.322   4.087  -0.882
   33    H    GLU   6           H        GLU   6   4.778   6.504   3.878
   34    HA   GLU   6           HA       GLU   6   6.584   4.402   2.818
   35   1HB   GLU   6          2HB       GLU   6   5.511   5.121   5.565
   36   2HB   GLU   6          1HB       GLU   6   6.598   3.763   5.264
   37   1HG   GLU   6          2HG       GLU   6   8.388   5.126   5.224
   38   2HG   GLU   6          1HG       GLU   6   7.627   6.157   4.011
   39    H    CYS   7           HN       CNP   7   5.704   2.442   2.241
   40    HA   CYS   7           HA       CNP   7   3.057   1.904   1.763
   41   1HB   CYS   7          2HB       CNP   7   4.967   0.486   1.183
   42   2HB   CYS   7          1HB       CNP   7   5.139  -0.010   2.859
   43    H    GLN   8           H        GLN   8   1.368   2.296   3.158
   44    HA   GLN   8           HA       GLN   8   1.730   1.614   6.043
   45   1HB   GLN   8          2HB       GLN   8   0.033   3.410   4.380
   46   2HB   GLN   8          1HB       GLN   8  -0.679   2.808   5.878
   47   1HG   GLN   8          2HG       GLN   8   2.074   4.062   5.769
   48   2HG   GLN   8          1HG       GLN   8   0.612   4.996   6.082
   49   1HE2  GLN   8          2HE2      GLN   8   2.057   3.832   9.358
   50   2HE2  GLN   8          1HE2      GLN   8   2.677   4.735   8.062
   51    H    CYS   9           HN       CAG   9   1.215  -0.397   3.764
   52    HA   CYS   9           HA       CAG   9  -1.487  -1.389   4.411
   53   1HB   CYS   9          2HB       CAG   9   0.810  -2.249   2.651
   54   2HB   CYS   9          1HB       CAG   9  -0.805  -2.972   2.592
   55    H    GLN  10           H        GLN  10  -1.697  -2.737   6.196
   56    HA   GLN  10           HA       GLN  10   0.704  -3.995   7.375
   57   1HB   GLN  10          2HB       GLN  10  -2.106  -3.365   8.116
   58   2HB   GLN  10          1HB       GLN  10  -1.401  -4.781   8.896
   59   1HG   GLN  10          2HG       GLN  10   0.221  -3.541   9.997
   60   2HG   GLN  10          1HG       GLN  10   0.215  -2.261   8.783
   61   1HE2  GLN  10          2HE2      GLN  10  -2.974  -0.941  10.155
   62   2HE2  GLN  10          1HE2      GLN  10  -2.421  -1.478   8.642
   63    H    CYS  11           HN       CNP  11  -0.610  -4.907   4.742
   64    HA   CYS  11           HA       CNP  11  -1.569  -7.590   5.390
   65   1HB   CYS  11          2HB       CNP  11  -0.994  -6.581   2.641
   66   2HB   CYS  11          1HB       CNP  11  -2.340  -7.506   3.227
   67    H    GLY  12           H        GLY  12  -0.506  -9.402   4.211
   68   1HA   GLY  12          2HA       GLY  12   2.385  -9.327   4.535
   69   2HA   GLY  12          1HA       GLY  12   1.449 -10.714   3.975
   70    H    SER  13           H        SER  13   0.219  -8.574   2.026
   71    HA   SER  13           HA       SER  13   1.947  -9.272  -0.220
   72   1HB   SER  13          2HB       SER  13  -0.250  -9.135  -0.890
   73   2HB   SER  13          1HB       SER  13  -0.647  -7.926   0.328
   74    HG   SER  13           HG       SER  13   0.296  -7.634  -2.260
   75    H    CYS  14           HN       CAG  14   1.200  -6.287   1.606
   76    HA   CYS  14           HA       CAG  14   3.182  -4.783   0.036
   77   1HB   CYS  14          2HB       CAG  14   1.269  -3.917   2.239
   78   2HB   CYS  14          1HB       CAG  14   2.014  -2.961   1.004
   79    H    LYS  15           H        LYS  15   2.289  -5.115   3.460
   80    HA   LYS  15           HA       LYS  15   4.347  -3.991   4.828
   81   1HB   LYS  15          2HB       LYS  15   3.687  -5.379   6.581
   82   2HB   LYS  15          1HB       LYS  15   2.331  -5.585   5.481
   83   1HG   LYS  15          2HG       LYS  15   3.373  -7.640   4.582
   84   2HG   LYS  15          1HG       LYS  15   4.732  -7.429   5.684
   85   1HD   LYS  15          2HD       LYS  15   2.581  -7.254   7.391
   86   2HD   LYS  15          1HD       LYS  15   2.034  -8.461   6.227
   87   1HE   LYS  15          2HE       LYS  15   4.833  -8.704   7.267
   88   2HE   LYS  15          1HE       LYS  15   3.496  -9.190   8.329
   89   1HZ   LYS  15          3HZ       LYS  15   2.584 -10.474   6.446
   90   2HZ   LYS  15          2HZ       LYS  15   3.979 -10.114   5.545
   91   3HZ   LYS  15          1HZ       LYS  15   4.094 -11.052   6.958
   92    H    ASN  16           H        ASN  16   4.675  -6.909   2.852
   93    HA   ASN  16           HA       ASN  16   7.544  -7.103   3.704
   94   1HB   ASN  16          2HB       ASN  16   5.441  -8.962   3.552
   95   2HB   ASN  16          1HB       ASN  16   6.496  -9.348   2.192
   96   1HD2  ASN  16          2HD2      ASN  16   7.813 -11.121   5.218
   97   2HD2  ASN  16          1HD2      ASN  16   6.351 -11.155   4.357
   98    H    ASN  17           H        ASN  17   5.489  -7.577   0.781
   99    HA   ASN  17           HA       ASN  17   7.488  -7.746  -1.178
  100   1HB   ASN  17          2HB       ASN  17   4.954  -7.900  -1.379
  101   2HB   ASN  17          1HB       ASN  17   4.939  -6.137  -1.425
  102   1HD2  ASN  17          2HD2      ASN  17   5.119  -6.922  -4.965
  103   2HD2  ASN  17          1HD2      ASN  17   3.987  -6.771  -3.710
  104    H    GLU  18           H        GLU  18   9.242  -6.444  -1.284
  105    HA   GLU  18           HA       GLU  18   9.129  -3.616  -0.557
  106   1HB   GLU  18          2HB       GLU  18  11.218  -5.467  -1.732
  107   2HB   GLU  18          1HB       GLU  18  11.545  -3.778  -1.341
  108   1HG   GLU  18          2HG       GLU  18  10.244  -4.923   0.914
  109   2HG   GLU  18          1HG       GLU  18  11.520  -6.040   0.426
  110    H    GLN  19           H        GLN  19   7.916  -5.146  -3.150
  111    HA   GLN  19           HA       GLN  19   8.998  -3.361  -5.236
  112   1HB   GLN  19          2HB       GLN  19   7.633  -5.898  -5.039
  113   2HB   GLN  19          1HB       GLN  19   6.814  -4.853  -6.200
  114   1HG   GLN  19          2HG       GLN  19   9.811  -5.201  -6.242
  115   2HG   GLN  19          1HG       GLN  19   8.742  -6.318  -7.092
  116   1HE2  GLN  19          2HE2      GLN  19   9.611  -3.597  -9.488
  117   2HE2  GLN  19          1HE2      GLN  19  10.477  -4.799  -8.658
  118    H    CYS  20           HN       CAG  20   6.341  -3.575  -3.151
  119    HA   CYS  20           HA       CAG  20   5.035  -1.227  -4.442
  120   1HB   CYS  20          2HB       CAG  20   2.963  -2.305  -4.006
  121   2HB   CYS  20          1HB       CAG  20   4.007  -3.582  -4.605
  122    H    GLN  21           H        GLN  21   6.892  -2.040  -1.922
  123    HA   GLN  21           HA       GLN  21   5.314  -0.995   0.312
  124   1HB   GLN  21          2HB       GLN  21   7.741  -2.465  -0.200
  125   2HB   GLN  21          1HB       GLN  21   8.065  -1.155   0.934
  126   1HG   GLN  21          2HG       GLN  21   5.574  -2.327   1.672
  127   2HG   GLN  21          1HG       GLN  21   6.729  -3.639   1.432
  128   1HE2  GLN  21          2HE2      GLN  21   8.994  -2.264   3.979
  129   2HE2  GLN  21          1HE2      GLN  21   9.085  -2.858   2.391
  130    H    LYS  22           H        LYS  22   6.152   0.818  -2.136
  131    HA   LYS  22           HA       LYS  22   6.854   3.108  -0.422
  132   1HB   LYS  22          2HB       LYS  22   8.937   3.539  -1.750
  133   2HB   LYS  22          1HB       LYS  22   8.999   2.093  -0.743
  134   1HG   LYS  22          2HG       LYS  22   8.534   0.674  -2.646
  135   2HG   LYS  22          1HG       LYS  22   8.254   2.078  -3.676
  136   1HD   LYS  22          2HD       LYS  22  10.831   2.291  -2.382
  137   2HD   LYS  22          1HD       LYS  22  10.707   0.756  -3.243
  138   1HE   LYS  22          2HE       LYS  22  10.548   1.775  -5.312
  139   2HE   LYS  22          1HE       LYS  22   9.734   3.210  -4.656
  140   1HZ   LYS  22          2HZ       LYS  22  12.531   2.516  -3.969
  141   2HZ   LYS  22          1HZ       LYS  22  12.147   3.509  -5.293
  142   3HZ   LYS  22          3HZ       LYS  22  11.728   3.993  -3.723
  143    H    SER  23           H        SER  23   5.053   2.090  -2.909
  144    HA   SER  23           HA       SER  23   4.942   4.840  -4.020
  145   1HB   SER  23          2HB       SER  23   5.702   2.332  -5.484
  146   2HB   SER  23          1HB       SER  23   4.904   3.637  -6.356
  147    HG   SER  23           HG       SER  23   7.239   3.752  -6.319
  148    H    CYS  24           HN       CNP  24   2.965   3.666  -2.441
  149    HA   CYS  24           HA       CNP  24   0.816   3.115  -4.388
  150   1HB   CYS  24          2HB       CNP  24  -0.178   2.300  -2.074
  151   2HB   CYS  24          1HB       CNP  24   0.779   1.289  -3.086
  152    H    SER  25           H        SER  25  -1.163   4.263  -4.149
  153    HA   SER  25           HA       SER  25  -0.851   6.861  -2.761
  154   1HB   SER  25          2HB       SER  25  -2.782   7.468  -4.066
  155   2HB   SER  25          1HB       SER  25  -1.798   6.456  -5.119
  156    HG   SER  25           HG       SER  25  -3.673   5.454  -5.278
  157    H    CYS  26           HN       CAG  26  -1.376   4.013  -1.547
  158    HA   CYS  26           HA       CAG  26  -3.861   3.816  -0.327
  159   1HB   CYS  26          2HB       CAG  26  -0.996   3.205   0.338
  160   2HB   CYS  26          1HB       CAG  26  -2.250   2.869   1.520
  161    HA   PRO  27           HA       PRO  27  -3.664   7.644   2.032
  162   1HB   PRO  27          2HB       PRO  27  -6.143   7.342   3.178
  163   2HB   PRO  27          1HB       PRO  27  -5.918   7.984   1.537
  164   1HG   PRO  27          2HG       PRO  27  -6.642   5.221   2.403
  165   2HG   PRO  27          1HG       PRO  27  -7.295   6.188   1.069
  166   1HD   PRO  27          2HD       PRO  27  -5.480   4.238   0.660
  167   2HD   PRO  27          1HD       PRO  27  -5.507   5.721  -0.323
  168    H    THR  28           H        THR  28  -2.032   6.773   3.300
  169    HA   THR  28           HA       THR  28  -1.585   4.778   4.898
  170    HB   THR  28           HB       THR  28  -0.511   6.405   6.524
  171    HG1  THR  28           HG1      THR  28  -2.398   7.942   5.808
  172   1HG2  THR  28          2HG2      THR  28   0.172   5.698   4.017
  173   2HG2  THR  28          1HG2      THR  28   0.012   7.438   3.784
  174   3HG2  THR  28          3HG2      THR  28   1.144   6.809   4.981
  175    H    GLY  29           H        GLY  29  -3.751   4.221   5.055
  176   1HA   GLY  29          2HA       GLY  29  -4.636   4.004   7.783
  177   2HA   GLY  29          1HA       GLY  29  -5.796   4.847   6.748
  178    H    CYS  30           HN       CAG  30  -4.282   2.882   4.554
  179    HA   CYS  30           HA       CAG  30  -6.292   1.245   3.817
  180   1HB   CYS  30          2HB       CAG  30  -3.930   1.443   2.953
  181   2HB   CYS  30          1HB       CAG  30  -3.447   0.298   4.202
  182    H    ASN  31           H        ASN  31  -7.615  -0.138   4.851
  183    HA   ASN  31           HA       ASN  31  -6.508  -2.057   6.835
  184   1HB   ASN  31          2HB       ASN  31  -8.025   0.330   7.420
  185   2HB   ASN  31          1HB       ASN  31  -8.969  -1.089   7.874
  186   1HD2  ASN  31          2HD2      ASN  31  -5.769  -0.037  10.104
  187   2HD2  ASN  31          1HD2      ASN  31  -6.314   0.914   8.807
  188    H    SER  32           H        SER  32  -7.993  -1.778   4.048
  189    HA   SER  32           HA       SER  32 -10.037  -3.907   4.606
  190   1HB   SER  32          2HB       SER  32 -10.216  -1.291   3.405
  191   2HB   SER  32          1HB       SER  32 -10.625  -2.513   2.204
  192    HG   SER  32           HG       SER  32 -12.491  -2.229   3.253
  193    H    ASP  33           H        ASP  33 -10.542  -5.020   2.331
  194    HA   ASP  33           HA       ASP  33  -7.897  -5.825   1.203
  195   1HB   ASP  33          2HB       ASP  33 -10.626  -7.076   1.484
  196   2HB   ASP  33          1HB       ASP  33  -9.457  -7.737   0.341
  197    H    ASP  34           H        ASP  34 -11.123  -4.668   0.283
  198    HA   ASP  34           HA       ASP  34 -10.346  -4.590  -2.559
  199   1HB   ASP  34          2HB       ASP  34 -12.694  -4.179  -2.952
  200   2HB   ASP  34          1HB       ASP  34 -12.613  -5.394  -1.675
  201    H    LYS  35           H        LYS  35  -9.151  -2.959  -0.529
  202    HA   LYS  35           HA       LYS  35  -9.522  -0.332  -1.841
  203   1HB   LYS  35          2HB       LYS  35 -10.293  -1.018   0.805
  204   2HB   LYS  35          1HB       LYS  35  -8.803  -0.088   0.965
  205   1HG   LYS  35          2HG       LYS  35  -9.853   1.622  -0.612
  206   2HG   LYS  35          1HG       LYS  35 -11.373   0.755  -0.390
  207   1HD   LYS  35          2HD       LYS  35 -11.608   1.443   1.790
  208   2HD   LYS  35          1HD       LYS  35  -9.867   1.472   2.077
  209   1HE   LYS  35          2HE       LYS  35 -10.781   3.451   0.082
  210   2HE   LYS  35          1HE       LYS  35 -11.391   3.728   1.726
  211   1HZ   LYS  35          2HZ       LYS  35  -8.609   2.896   1.470
  212   2HZ   LYS  35          1HZ       LYS  35  -8.969   4.482   0.977
  213   3HZ   LYS  35          3HZ       LYS  35  -9.317   3.988   2.562
  214    H    CYS  36           HN       CAG  36  -7.783  -2.575  -2.137
  215    HA   CYS  36           HA       CAG  36  -5.163  -1.273  -1.551
  216   1HB   CYS  36          2HB       CAG  36  -6.059  -3.312  -0.152
  217   2HB   CYS  36          1HB       CAG  36  -5.503  -4.216  -1.531
  218    HA   PRO  37           HA       PRO  37  -5.346  -2.758  -5.812
  219   1HB   PRO  37          2HB       PRO  37  -5.357  -0.267  -7.013
  220   2HB   PRO  37          1HB       PRO  37  -6.827  -1.160  -6.582
  221   1HG   PRO  37          2HG       PRO  37  -5.769   1.250  -5.388
  222   2HG   PRO  37          1HG       PRO  37  -7.324   0.458  -5.115
  223   1HD   PRO  37          2HD       PRO  37  -4.913   0.377  -3.496
  224   2HD   PRO  37          1HD       PRO  37  -6.568  -0.141  -3.098
  225    H    CYS  38           HN       CAG  38  -3.300  -2.703  -3.988
  226    HA   CYS  38           HA       CAG  38  -1.057  -1.063  -4.899
  227   1HB   CYS  38          2HB       CAG  38  -1.893  -2.207  -2.666
  228   2HB   CYS  38          1HB       CAG  38  -0.816  -3.472  -3.206
  229    H    GLY  39           H        GLY  39  -2.420  -3.330  -6.357
  230   1HA   GLY  39          2HA       GLY  39  -0.238  -5.177  -6.985
  231   2HA   GLY  39          1HA       GLY  39  -1.831  -5.186  -7.743
  232    H    ASN  40           HN       ASN  40   0.297  -2.346  -7.542
  233    HA   ASN  40           HA       ASN  40   0.283  -2.236 -10.521
  234   1HB   ASN  40          2HB       ASN  40   0.784   0.120 -10.153
  235   2HB   ASN  40          1HB       ASN  40  -0.533  -0.340  -9.073
  236   1HD2  ASN  40          2HD2      ASN  40   1.326   0.261  -6.129
  237   2HD2  ASN  40          1HD2      ASN  40  -0.148  -0.242  -6.804
   
  Start of MODEL    8
    1   1H    GLN   1          3H        GLN   1   0.855  12.501   1.438
    2   2H    GLN   1          2H        GLN   1   0.361  13.793   0.453
    3   3H    GLN   1          1H        GLN   1   0.010  13.806   2.116
    4    HA   GLN   1           HA       GLN   1  -1.530  12.003   1.893
    5   1HB   GLN   1          2HB       GLN   1  -1.867  14.036  -0.336
    6   2HB   GLN   1          1HB       GLN   1  -3.156  13.207   0.538
    7   1HG   GLN   1          2HG       GLN   1  -1.748  14.303   2.606
    8   2HG   GLN   1          1HG       GLN   1  -1.517  15.524   1.356
    9   1HE2  GLN   1          2HE2      GLN   1  -4.652  16.659   2.746
   10   2HE2  GLN   1          1HE2      GLN   1  -2.974  16.811   2.946
   11    H    ASN   2           H        ASN   2   0.159  12.756  -1.155
   12    HA   ASN   2           HA       ASN   2  -1.009  10.710  -2.767
   13   1HB   ASN   2          2HB       ASN   2   0.601  12.767  -3.220
   14   2HB   ASN   2          1HB       ASN   2   1.861  11.546  -3.032
   15   1HD2  ASN   2          2HD2      ASN   2   1.191  11.271  -6.584
   16   2HD2  ASN   2          1HD2      ASN   2   2.113  12.172  -5.480
   17    H    GLU   3           H        GLU   3   1.746   9.561  -3.467
   18    HA   GLU   3           HA       GLU   3   1.746   7.453  -1.332
   19   1HB   GLU   3          2HB       GLU   3   2.563   5.996  -3.115
   20   2HB   GLU   3          1HB       GLU   3   1.170   6.881  -3.739
   21   1HG   GLU   3          2HG       GLU   3   3.537   8.443  -4.175
   22   2HG   GLU   3          1HG       GLU   3   3.801   6.815  -4.802
   23    H    GLY   4           H        GLY   4   3.126   9.983  -1.224
   24   1HA   GLY   4          2HA       GLY   4   5.996   9.199  -1.417
   25   2HA   GLY   4          1HA       GLY   4   5.405  10.836  -1.069
   26    H    HIS   5           H        HIS   5   4.570   7.674   0.243
   27    HA   HIS   5           HA       HIS   5   5.203   8.696   2.995
   28   1HB   HIS   5          2HB       HIS   5   3.076   7.665   3.651
   29   2HB   HIS   5          1HB       HIS   5   2.803   8.781   2.317
   30    HD1  HIS   5           HD1      HIS   5   4.321   5.926   0.754
   31    HD2  HIS   5           HD2      HIS   5   0.498   6.710   2.133
   32    HE1  HIS   5           HE1      HIS   5   2.803   4.154  -0.207
   33    H    GLU   6           H        GLU   6   4.815   6.626   4.529
   34    HA   GLU   6           HA       GLU   6   6.642   4.519   3.507
   35   1HB   GLU   6          2HB       GLU   6   6.509   3.748   5.881
   36   2HB   GLU   6          1HB       GLU   6   7.059   5.417   5.742
   37   1HG   GLU   6          2HG       GLU   6   4.218   5.475   5.857
   38   2HG   GLU   6          1HG       GLU   6   4.770   4.407   7.146
   39    H    CYS   7           HN       CNP   7   5.684   2.756   2.621
   40    HA   CYS   7           HA       CNP   7   2.963   2.399   2.181
   41   1HB   CYS   7          2HB       CNP   7   4.903   1.110   1.246
   42   2HB   CYS   7          1HB       CNP   7   4.958   0.183   2.739
   43    H    GLN   8           H        GLN   8   1.317   2.344   3.672
   44    HA   GLN   8           HA       GLN   8   1.936   1.005   6.302
   45   1HB   GLN   8          2HB       GLN   8   0.524   3.502   5.493
   46   2HB   GLN   8          1HB       GLN   8  -0.095   2.643   6.906
   47   1HG   GLN   8          2HG       GLN   8   2.501   2.548   7.523
   48   2HG   GLN   8          1HG       GLN   8   2.538   3.997   6.517
   49   1HE2  GLN   8          2HE2      GLN   8   1.574   5.816   9.388
   50   2HE2  GLN   8          1HE2      GLN   8   2.741   5.584   8.177
   51    H    CYS   9           HN       CAG   9   0.872  -0.381   3.952
   52    HA   CYS   9           HA       CAG   9  -1.973  -0.868   4.710
   53   1HB   CYS   9          2HB       CAG   9  -0.240  -1.817   2.434
   54   2HB   CYS   9          1HB       CAG   9  -1.992  -1.999   2.522
   55    H    GLN  10           H        GLN  10  -2.611  -2.953   5.455
   56    HA   GLN  10           HA       GLN  10  -0.385  -4.682   6.408
   57   1HB   GLN  10          2HB       GLN  10  -2.813  -3.741   7.454
   58   2HB   GLN  10          1HB       GLN  10  -3.090  -5.456   7.148
   59   1HG   GLN  10          2HG       GLN  10  -1.036  -6.013   8.403
   60   2HG   GLN  10          1HG       GLN  10  -0.765  -4.298   8.715
   61   1HE2  GLN  10          2HE2      GLN  10  -3.524  -4.069  11.051
   62   2HE2  GLN  10          1HE2      GLN  10  -2.719  -3.167   9.860
   63    H    CYS  11           HN       CNP  11  -1.473  -4.617   3.519
   64    HA   CYS  11           HA       CNP  11  -2.813  -7.160   3.157
   65   1HB   CYS  11          2HB       CNP  11  -1.412  -5.519   1.061
   66   2HB   CYS  11          1HB       CNP  11  -2.883  -6.434   0.940
   67    H    GLY  12           H        GLY  12  -1.758  -8.695   1.543
   68   1HA   GLY  12          2HA       GLY  12   0.872  -9.479   2.501
   69   2HA   GLY  12          1HA       GLY  12  -0.044 -10.290   1.227
   70    H    SER  13           H        SER  13  -0.242  -7.270   0.200
   71    HA   SER  13           HA       SER  13   2.043  -7.559  -1.650
   72   1HB   SER  13          2HB       SER  13  -0.606  -6.544  -1.695
   73   2HB   SER  13          1HB       SER  13   0.456  -5.165  -1.960
   74    HG   SER  13           HG       SER  13   1.444  -7.125  -3.388
   75    H    CYS  14           HN       CAG  14   0.941  -5.397   0.956
   76    HA   CYS  14           HA       CAG  14   3.273  -3.643   0.575
   77   1HB   CYS  14          2HB       CAG  14   0.771  -3.671   2.288
   78   2HB   CYS  14          1HB       CAG  14   1.960  -2.411   2.322
   79    H    LYS  15           H        LYS  15   1.685  -5.512   3.158
   80    HA   LYS  15           HA       LYS  15   3.369  -5.255   5.295
   81   1HB   LYS  15          2HB       LYS  15   2.443  -7.291   6.025
   82   2HB   LYS  15          1HB       LYS  15   1.282  -6.745   4.823
   83   1HG   LYS  15          2HG       LYS  15   2.220  -8.219   3.151
   84   2HG   LYS  15          1HG       LYS  15   3.560  -8.646   4.218
   85   1HD   LYS  15          2HD       LYS  15   0.640  -9.205   4.814
   86   2HD   LYS  15          1HD       LYS  15   1.782 -10.394   4.187
   87   1HE   LYS  15          2HE       LYS  15   2.919  -9.072   6.501
   88   2HE   LYS  15          1HE       LYS  15   1.336  -9.768   6.902
   89   1HZ   LYS  15          2HZ       LYS  15   2.145 -11.764   5.550
   90   2HZ   LYS  15          1HZ       LYS  15   3.702 -11.116   5.755
   91   3HZ   LYS  15          3HZ       LYS  15   2.784 -11.562   7.110
   92    H    ASN  16           H        ASN  16   4.090  -7.344   2.442
   93    HA   ASN  16           HA       ASN  16   6.884  -7.521   3.524
   94   1HB   ASN  16          2HB       ASN  16   6.802  -9.846   2.349
   95   2HB   ASN  16          1HB       ASN  16   5.987  -9.656   3.900
   96   1HD2  ASN  16          2HD2      ASN  16   2.915 -10.658   2.527
   97   2HD2  ASN  16          1HD2      ASN  16   3.946 -10.591   3.875
   98    H    ASN  17           H        ASN  17   4.879  -7.579   0.554
   99    HA   ASN  17           HA       ASN  17   7.068  -7.652  -1.305
  100   1HB   ASN  17          2HB       ASN  17   4.221  -7.440  -1.280
  101   2HB   ASN  17          1HB       ASN  17   4.843  -6.145  -2.303
  102   1HD2  ASN  17          2HD2      ASN  17   5.898  -9.982  -3.378
  103   2HD2  ASN  17          1HD2      ASN  17   5.817  -9.585  -1.729
  104    H    GLU  18           H        GLU  18   8.701  -6.158  -0.846
  105    HA   GLU  18           HA       GLU  18   8.080  -3.380  -0.204
  106   1HB   GLU  18          2HB       GLU  18  10.566  -3.193  -0.260
  107   2HB   GLU  18          1HB       GLU  18  10.025  -4.552   0.723
  108   1HG   GLU  18          2HG       GLU  18  10.283  -5.434  -1.995
  109   2HG   GLU  18          1HG       GLU  18  11.772  -4.615  -1.521
  110    H    GLN  19           H        GLN  19   7.690  -4.949  -3.005
  111    HA   GLN  19           HA       GLN  19   9.110  -3.210  -4.847
  112   1HB   GLN  19          2HB       GLN  19   8.084  -5.669  -5.020
  113   2HB   GLN  19          1HB       GLN  19   6.693  -4.770  -5.629
  114   1HG   GLN  19          2HG       GLN  19   8.590  -3.560  -7.073
  115   2HG   GLN  19          1HG       GLN  19   9.406  -5.104  -6.826
  116   1HE2  GLN  19          2HE2      GLN  19   6.164  -6.600  -8.287
  117   2HE2  GLN  19          1HE2      GLN  19   6.659  -6.474  -6.668
  118    H    CYS  20           HN       CAG  20   6.136  -3.138  -3.214
  119    HA   CYS  20           HA       CAG  20   5.277  -0.712  -4.724
  120   1HB   CYS  20          2HB       CAG  20   3.045  -1.532  -4.422
  121   2HB   CYS  20          1HB       CAG  20   4.013  -2.900  -4.949
  122    H    GLN  21           H        GLN  21   6.698  -1.572  -1.929
  123    HA   GLN  21           HA       GLN  21   5.008  -0.107  -0.011
  124   1HB   GLN  21          2HB       GLN  21   7.592  -1.635  -0.011
  125   2HB   GLN  21          1HB       GLN  21   7.185  -0.622   1.370
  126   1HG   GLN  21          2HG       GLN  21   5.039  -1.818   1.617
  127   2HG   GLN  21          1HG       GLN  21   5.456  -2.844   0.242
  128   1HE2  GLN  21          2HE2      GLN  21   7.630  -3.315   3.712
  129   2HE2  GLN  21          1HE2      GLN  21   6.986  -1.788   3.348
  130    H    LYS  22           H        LYS  22   6.349   1.309  -2.419
  131    HA   LYS  22           HA       LYS  22   7.610   3.446  -0.772
  132   1HB   LYS  22          2HB       LYS  22   9.459   3.531  -2.468
  133   2HB   LYS  22          1HB       LYS  22   9.416   2.035  -1.535
  134   1HG   LYS  22          2HG       LYS  22   7.722   1.533  -3.692
  135   2HG   LYS  22          1HG       LYS  22   9.064   2.432  -4.402
  136   1HD   LYS  22          2HD       LYS  22   9.702   0.244  -2.463
  137   2HD   LYS  22          1HD       LYS  22   9.202  -0.205  -4.095
  138   1HE   LYS  22          2HE       LYS  22  10.972   1.578  -4.857
  139   2HE   LYS  22          1HE       LYS  22  11.639   1.338  -3.231
  140   1HZ   LYS  22          1HZ       LYS  22  11.627  -1.051  -3.618
  141   2HZ   LYS  22          3HZ       LYS  22  11.019  -0.816  -5.184
  142   3HZ   LYS  22          2HZ       LYS  22  12.575  -0.262  -4.788
  143    H    SER  23           H        SER  23   5.324   2.760  -3.036
  144    HA   SER  23           HA       SER  23   5.135   5.584  -3.768
  145   1HB   SER  23          2HB       SER  23   6.359   3.564  -5.502
  146   2HB   SER  23          1HB       SER  23   5.068   4.456  -6.302
  147    HG   SER  23           HG       SER  23   6.247   6.343  -5.218
  148    H    CYS  24           HN       CNP  24   3.410   3.713  -2.473
  149    HA   CYS  24           HA       CNP  24   1.160   3.424  -4.359
  150   1HB   CYS  24          2HB       CNP  24   0.629   1.649  -2.998
  151   2HB   CYS  24          1HB       CNP  24   2.352   1.660  -2.819
  152    H    SER  25           H        SER  25  -0.400   4.971  -4.239
  153    HA   SER  25           HA       SER  25  -0.209   7.172  -2.403
  154   1HB   SER  25          2HB       SER  25  -2.287   7.871  -3.513
  155   2HB   SER  25          1HB       SER  25  -1.162   7.217  -4.700
  156    HG   SER  25           HG       SER  25  -3.548   6.472  -4.506
  157    H    CYS  26           HN       CAG  26  -1.015   4.176  -1.428
  158    HA   CYS  26           HA       CAG  26  -3.489   4.321  -0.139
  159   1HB   CYS  26          2HB       CAG  26  -0.769   3.138   0.394
  160   2HB   CYS  26          1HB       CAG  26  -2.097   2.898   1.538
  161    HA   PRO  27           HA       PRO  27  -2.415   7.908   2.400
  162   1HB   PRO  27          2HB       PRO  27  -4.931   8.162   3.480
  163   2HB   PRO  27          1HB       PRO  27  -4.494   8.816   1.887
  164   1HG   PRO  27          2HG       PRO  27  -5.881   6.257   2.565
  165   2HG   PRO  27          1HG       PRO  27  -6.256   7.435   1.295
  166   1HD   PRO  27          2HD       PRO  27  -4.952   5.156   0.744
  167   2HD   PRO  27          1HD       PRO  27  -4.561   6.675  -0.097
  168    H    THR  28           H        THR  28  -1.089   6.887   3.832
  169    HA   THR  28           HA       THR  28  -1.079   4.775   5.385
  170    HB   THR  28           HB       THR  28  -0.117   6.362   7.250
  171    HG1  THR  28           HG1      THR  28  -1.036   8.265   6.692
  172   1HG2  THR  28          2HG2      THR  28   0.794   5.486   4.653
  173   2HG2  THR  28          1HG2      THR  28   1.554   7.018   5.083
  174   3HG2  THR  28          3HG2      THR  28   1.702   5.628   6.158
  175    H    GLY  29           H        GLY  29  -3.254   4.479   5.350
  176   1HA   GLY  29          2HA       GLY  29  -4.442   4.422   7.967
  177   2HA   GLY  29          1HA       GLY  29  -5.378   5.377   6.809
  178    H    CYS  30           HN       CAG  30  -4.042   3.364   4.653
  179    HA   CYS  30           HA       CAG  30  -6.334   1.826   4.175
  180   1HB   CYS  30          2HB       CAG  30  -4.197   2.292   2.837
  181   2HB   CYS  30          1HB       CAG  30  -3.518   0.890   3.657
  182    H    ASN  31           H        ASN  31  -7.220   0.777   5.915
  183    HA   ASN  31           HA       ASN  31  -5.594  -1.383   7.229
  184   1HB   ASN  31          2HB       ASN  31  -7.486   0.666   8.149
  185   2HB   ASN  31          1HB       ASN  31  -7.914  -0.949   8.717
  186   1HD2  ASN  31          2HD2      ASN  31  -4.204   0.484   9.805
  187   2HD2  ASN  31          1HD2      ASN  31  -4.827   0.894   8.281
  188    H    SER  32           H        SER  32  -9.064  -0.703   6.722
  189    HA   SER  32           HA       SER  32  -9.518  -3.532   5.914
  190   1HB   SER  32          2HB       SER  32 -11.778  -1.675   5.822
  191   2HB   SER  32          1HB       SER  32 -11.579  -3.127   6.800
  192    HG   SER  32           HG       SER  32 -11.703  -1.212   8.066
  193    H    ASP  33           H        ASP  33  -8.405  -3.400   3.875
  194    HA   ASP  33           HA       ASP  33 -10.007  -2.090   1.755
  195   1HB   ASP  33          2HB       ASP  33  -7.005  -1.807   2.052
  196   2HB   ASP  33          1HB       ASP  33  -8.035  -1.000   0.869
  197    H    ASP  34           H        ASP  34 -10.474  -4.434   1.541
  198    HA   ASP  34           HA       ASP  34  -8.360  -6.166   0.543
  199   1HB   ASP  34          2HB       ASP  34 -10.044  -7.869   0.605
  200   2HB   ASP  34          1HB       ASP  34 -10.389  -6.828   1.987
  201    H    LYS  35           H        LYS  35  -9.263  -3.700  -0.775
  202    HA   LYS  35           HA       LYS  35  -9.728  -4.770  -3.509
  203   1HB   LYS  35          2HB       LYS  35 -10.878  -2.516  -1.952
  204   2HB   LYS  35          1HB       LYS  35 -10.381  -2.089  -3.589
  205   1HG   LYS  35          2HG       LYS  35 -12.310  -2.979  -4.331
  206   2HG   LYS  35          1HG       LYS  35 -11.701  -4.559  -3.838
  207   1HD   LYS  35          2HD       LYS  35 -13.923  -4.022  -2.827
  208   2HD   LYS  35          1HD       LYS  35 -12.667  -4.286  -1.616
  209   1HE   LYS  35          2HE       LYS  35 -12.465  -1.560  -2.146
  210   2HE   LYS  35          1HE       LYS  35 -14.214  -1.863  -2.161
  211   1HZ   LYS  35          2HZ       LYS  35 -12.540  -3.136  -0.103
  212   2HZ   LYS  35          1HZ       LYS  35 -13.000  -1.512   0.096
  213   3HZ   LYS  35          3HZ       LYS  35 -14.185  -2.717  -0.042
  214    H    CYS  36           HN       CAG  36  -7.395  -4.634  -1.971
  215    HA   CYS  36           HA       CAG  36  -5.759  -2.514  -3.302
  216   1HB   CYS  36          2HB       CAG  36  -6.008  -2.535  -0.756
  217   2HB   CYS  36          1HB       CAG  36  -5.110  -4.049  -0.818
  218    HA   PRO  37           HA       PRO  37  -3.843  -6.361  -4.553
  219   1HB   PRO  37          2HB       PRO  37  -4.629  -6.232  -7.217
  220   2HB   PRO  37          1HB       PRO  37  -5.584  -7.036  -5.954
  221   1HG   PRO  37          2HG       PRO  37  -6.260  -4.654  -7.388
  222   2HG   PRO  37          1HG       PRO  37  -7.175  -5.459  -6.106
  223   1HD   PRO  37          2HD       PRO  37  -5.341  -3.146  -5.936
  224   2HD   PRO  37          1HD       PRO  37  -6.745  -3.576  -4.932
  225    H    CYS  38           HN       CAG  38  -3.090  -3.700  -4.049
  226    HA   CYS  38           HA       CAG  38  -1.594  -2.542  -6.262
  227   1HB   CYS  38          2HB       CAG  38  -2.390  -1.042  -4.810
  228   2HB   CYS  38          1HB       CAG  38  -2.300  -2.101  -3.432
  229    H    GLY  39           H        GLY  39   0.299  -2.840  -6.799
  230   1HA   GLY  39          2HA       GLY  39   2.412  -3.853  -5.027
  231   2HA   GLY  39          1HA       GLY  39   2.008  -4.909  -6.383
  232    H    ASN  40           HN       ASN  40   1.509  -1.575  -7.002
  233    HA   ASN  40           HA       ASN  40   3.667  -1.596  -8.998
  234   1HB   ASN  40          2HB       ASN  40   2.547   0.278  -9.841
  235   2HB   ASN  40          1HB       ASN  40   1.237  -0.577  -9.032
  236   1HD2  ASN  40          2HD2      ASN  40   1.116   1.802  -6.292
  237   2HD2  ASN  40          1HD2      ASN  40   0.952   0.142  -6.599
   
  Start of MODEL    9
    1   1H    GLN   1          3H        GLN   1   1.958  13.306  -5.232
    2   2H    GLN   1          2H        GLN   1   1.971  11.942  -6.245
    3   3H    GLN   1          1H        GLN   1   1.028  13.296  -6.651
    4    HA   GLN   1           HA       GLN   1  -0.652  12.732  -5.266
    5   1HB   GLN   1          2HB       GLN   1   0.511  10.682  -6.659
    6   2HB   GLN   1          1HB       GLN   1   0.487  10.012  -5.027
    7   1HG   GLN   1          2HG       GLN   1  -1.874  10.254  -4.848
    8   2HG   GLN   1          1HG       GLN   1  -1.949  11.305  -6.263
    9   1HE2  GLN   1          2HE2      GLN   1  -1.765   8.605  -8.606
   10   2HE2  GLN   1          1HE2      GLN   1  -1.487  10.268  -8.408
   11    H    ASN   2           H        ASN   2  -1.149  11.179  -3.190
   12    HA   ASN   2           HA       ASN   2   0.528  12.287  -1.029
   13   1HB   ASN   2          2HB       ASN   2  -2.080  10.788  -1.265
   14   2HB   ASN   2          1HB       ASN   2  -1.329  11.058   0.308
   15   1HD2  ASN   2          2HD2      ASN   2  -3.500  13.981  -0.100
   16   2HD2  ASN   2          1HD2      ASN   2  -3.638  12.331   0.270
   17    H    GLU   3           H        GLU   3   1.371   9.939  -2.904
   18    HA   GLU   3           HA       GLU   3   1.651   7.748  -0.916
   19   1HB   GLU   3          2HB       GLU   3   2.423   6.491  -2.845
   20   2HB   GLU   3          1HB       GLU   3   1.052   7.452  -3.393
   21   1HG   GLU   3          2HG       GLU   3   3.306   9.110  -3.690
   22   2HG   GLU   3          1HG       GLU   3   3.797   7.527  -4.296
   23    H    GLY   4           H        GLY   4   2.974  10.231  -0.443
   24   1HA   GLY   4          2HA       GLY   4   5.854   9.594  -0.875
   25   2HA   GLY   4          1HA       GLY   4   5.228  11.143  -0.275
   26    H    HIS   5           H        HIS   5   4.444   7.842   0.664
   27    HA   HIS   5           HA       HIS   5   5.288   8.480   3.472
   28   1HB   HIS   5          2HB       HIS   5   3.201   7.338   4.106
   29   2HB   HIS   5          1HB       HIS   5   2.855   8.652   2.985
   30    HD1  HIS   5           HD1      HIS   5   4.271   5.984   0.983
   31    HD2  HIS   5           HD2      HIS   5   0.501   6.745   2.508
   32    HE1  HIS   5           HE1      HIS   5   2.692   4.373  -0.139
   33    H    GLU   6           H        GLU   6   4.938   6.182   4.713
   34    HA   GLU   6           HA       GLU   6   6.699   4.241   3.304
   35   1HB   GLU   6          2HB       GLU   6   5.629   4.517   6.130
   36   2HB   GLU   6          1HB       GLU   6   6.580   3.131   5.593
   37   1HG   GLU   6          2HG       GLU   6   8.478   4.511   5.103
   38   2HG   GLU   6          1HG       GLU   6   7.538   5.987   5.321
   39    H    CYS   7           HN       CNP   7   5.688   2.459   2.345
   40    HA   CYS   7           HA       CNP   7   2.931   2.285   1.937
   41   1HB   CYS   7          2HB       CNP   7   4.328   0.904   0.646
   42   2HB   CYS   7          1HB       CNP   7   5.137   0.232   2.055
   43    H    GLN   8           H        GLN   8   1.373   2.281   3.497
   44    HA   GLN   8           HA       GLN   8   1.940   0.859   6.067
   45   1HB   GLN   8          2HB       GLN   8   1.549   3.240   6.230
   46   2HB   GLN   8          1HB       GLN   8   0.098   3.114   5.236
   47   1HG   GLN   8          2HG       GLN   8  -1.173   2.327   6.952
   48   2HG   GLN   8          1HG       GLN   8   0.156   1.394   7.643
   49   1HE2  GLN   8          2HE2      GLN   8   1.492   4.366   9.353
   50   2HE2  GLN   8          1HE2      GLN   8   2.070   3.115   8.363
   51    H    CYS   9           HN       CAG   9   0.899  -0.431   3.540
   52    HA   CYS   9           HA       CAG   9  -1.935  -0.949   3.942
   53   1HB   CYS   9          2HB       CAG   9   0.368  -2.048   2.361
   54   2HB   CYS   9          1HB       CAG   9  -1.243  -2.765   2.226
   55    H    GLN  10           H        GLN  10  -2.800  -2.583   5.253
   56    HA   GLN  10           HA       GLN  10  -0.919  -4.175   6.891
   57   1HB   GLN  10          2HB       GLN  10  -3.927  -3.777   6.834
   58   2HB   GLN  10          1HB       GLN  10  -3.112  -4.823   7.997
   59   1HG   GLN  10          2HG       GLN  10  -2.215  -1.972   7.650
   60   2HG   GLN  10          1HG       GLN  10  -3.608  -2.345   8.666
   61   1HE2  GLN  10          2HE2      GLN  10  -0.916  -2.574  11.088
   62   2HE2  GLN  10          1HE2      GLN  10  -1.934  -1.430  10.354
   63    H    CYS  11           HN       CNP  11  -1.704  -4.563   3.877
   64    HA   CYS  11           HA       CNP  11  -3.011  -7.114   3.687
   65   1HB   CYS  11          2HB       CNP  11  -1.170  -5.630   1.795
   66   2HB   CYS  11          1HB       CNP  11  -2.426  -6.767   1.377
   67    H    GLY  12           H        GLY  12  -1.407  -8.526   1.986
   68   1HA   GLY  12          2HA       GLY  12   0.911  -9.286   3.710
   69   2HA   GLY  12          1HA       GLY  12   0.051 -10.407   2.651
   70    H    SER  13           H        SER  13  -0.047  -8.090   0.622
   71    HA   SER  13           HA       SER  13   2.511  -8.783  -0.687
   72   1HB   SER  13          2HB       SER  13  -0.054  -8.450  -1.547
   73   2HB   SER  13          1HB       SER  13   0.606  -6.854  -1.895
   74    HG   SER  13           HG       SER  13   2.452  -8.330  -2.745
   75    H    CYS  14           HN       CAG  14   0.879  -5.961   0.734
   76    HA   CYS  14           HA       CAG  14   3.030  -4.147  -0.042
   77   1HB   CYS  14          2HB       CAG  14   0.628  -3.745   1.767
   78   2HB   CYS  14          1HB       CAG  14   1.496  -2.566   0.849
   79    H    LYS  15           H        LYS  15   1.452  -5.012   3.019
   80    HA   LYS  15           HA       LYS  15   3.153  -3.992   4.903
   81   1HB   LYS  15          2HB       LYS  15   2.088  -5.487   6.316
   82   2HB   LYS  15          1HB       LYS  15   1.062  -5.662   4.899
   83   1HG   LYS  15          2HG       LYS  15   2.003  -7.734   4.315
   84   2HG   LYS  15          1HG       LYS  15   3.466  -7.453   5.253
   85   1HD   LYS  15          2HD       LYS  15   1.130  -7.334   6.960
   86   2HD   LYS  15          1HD       LYS  15   1.194  -8.869   6.090
   87   1HE   LYS  15          2HE       LYS  15   3.361  -9.389   6.954
   88   2HE   LYS  15          1HE       LYS  15   3.608  -7.730   7.528
   89   1HZ   LYS  15          2HZ       LYS  15   1.174  -8.711   8.552
   90   2HZ   LYS  15          1HZ       LYS  15   2.396  -9.837   8.900
   91   3HZ   LYS  15          3HZ       LYS  15   2.560  -8.227   9.407
   92    H    ASN  16           H        ASN  16   3.931  -6.669   2.729
   93    HA   ASN  16           HA       ASN  16   6.612  -6.879   4.071
   94   1HB   ASN  16          2HB       ASN  16   4.647  -8.787   3.774
   95   2HB   ASN  16          1HB       ASN  16   5.702  -9.122   2.400
   96   1HD2  ASN  16          2HD2      ASN  16   6.884 -10.696   5.738
   97   2HD2  ASN  16          1HD2      ASN  16   5.302 -10.523   5.149
   98    H    ASN  17           H        ASN  17   5.276  -7.904   0.894
   99    HA   ASN  17           HA       ASN  17   7.626  -7.684  -0.611
  100   1HB   ASN  17          2HB       ASN  17   4.882  -8.080  -1.025
  101   2HB   ASN  17          1HB       ASN  17   5.294  -6.705  -2.049
  102   1HD2  ASN  17          2HD2      ASN  17   6.597 -10.409  -3.055
  103   2HD2  ASN  17          1HD2      ASN  17   5.633 -10.152  -1.681
  104    H    GLU  18           H        GLU  18   8.976  -5.955  -0.457
  105    HA   GLU  18           HA       GLU  18   8.013  -3.217  -0.204
  106   1HB   GLU  18          2HB       GLU  18  10.630  -4.665  -0.445
  107   2HB   GLU  18          1HB       GLU  18  10.600  -2.912  -0.636
  108   1HG   GLU  18          2HG       GLU  18   9.173  -2.994   1.581
  109   2HG   GLU  18          1HG       GLU  18   9.947  -4.567   1.783
  110    H    GLN  19           H        GLN  19   7.922  -5.235  -2.761
  111    HA   GLN  19           HA       GLN  19   9.125  -3.678  -4.861
  112   1HB   GLN  19          2HB       GLN  19   7.624  -6.104  -4.502
  113   2HB   GLN  19          1HB       GLN  19   6.954  -5.198  -5.859
  114   1HG   GLN  19          2HG       GLN  19   9.682  -4.956  -6.252
  115   2HG   GLN  19          1HG       GLN  19   9.517  -6.604  -5.645
  116   1HE2  GLN  19          2HE2      GLN  19   7.188  -7.433  -8.407
  117   2HE2  GLN  19          1HE2      GLN  19   7.165  -7.514  -6.711
  118    H    CYS  20           HN       CAG  20   6.151  -3.585  -3.221
  119    HA   CYS  20           HA       CAG  20   5.061  -1.475  -5.027
  120   1HB   CYS  20          2HB       CAG  20   2.912  -2.188  -3.993
  121   2HB   CYS  20          1HB       CAG  20   3.781  -3.544  -4.715
  122    H    GLN  21           H        GLN  21   6.876  -1.657  -2.325
  123    HA   GLN  21           HA       GLN  21   5.422   0.337  -0.681
  124   1HB   GLN  21          2HB       GLN  21   7.973  -1.271  -0.516
  125   2HB   GLN  21          1HB       GLN  21   7.681   0.059   0.606
  126   1HG   GLN  21          2HG       GLN  21   5.289  -1.258   0.725
  127   2HG   GLN  21          1HG       GLN  21   6.400  -2.600   0.465
  128   1HE2  GLN  21          2HE2      GLN  21   6.183  -1.790   4.157
  129   2HE2  GLN  21          1HE2      GLN  21   5.004  -2.125   2.983
  130    H    LYS  22           H        LYS  22   6.384   0.913  -3.481
  131    HA   LYS  22           HA       LYS  22   8.628   2.753  -3.132
  132   1HB   LYS  22          2HB       LYS  22   7.140   1.439  -5.304
  133   2HB   LYS  22          1HB       LYS  22   7.841   3.010  -5.695
  134   1HG   LYS  22          2HG       LYS  22  10.047   2.267  -5.074
  135   2HG   LYS  22          1HG       LYS  22   9.411   0.764  -4.406
  136   1HD   LYS  22          2HD       LYS  22   9.760  -0.167  -6.428
  137   2HD   LYS  22          1HD       LYS  22   8.434   0.832  -7.026
  138   1HE   LYS  22          2HE       LYS  22  11.281   1.859  -6.852
  139   2HE   LYS  22          1HE       LYS  22  10.622   1.090  -8.311
  140   1HZ   LYS  22          1HZ       LYS  22   9.326   3.353  -6.886
  141   2HZ   LYS  22          3HZ       LYS  22  10.305   3.538  -8.259
  142   3HZ   LYS  22          2HZ       LYS  22   8.847   2.671  -8.367
  143    H    SER  23           H        SER  23   5.427   3.048  -4.499
  144    HA   SER  23           HA       SER  23   5.152   5.723  -3.240
  145   1HB   SER  23          2HB       SER  23   5.731   5.172  -6.101
  146   2HB   SER  23          1HB       SER  23   4.578   6.459  -5.761
  147    HG   SER  23           HG       SER  23   6.318   7.075  -4.131
  148    H    CYS  24           HN       CNP  24   3.430   3.712  -2.584
  149    HA   CYS  24           HA       CNP  24   1.041   3.812  -4.274
  150   1HB   CYS  24          2HB       CNP  24   0.524   1.958  -3.019
  151   2HB   CYS  24          1HB       CNP  24   2.250   1.949  -2.843
  152    H    SER  25           H        SER  25  -0.475   5.396  -4.005
  153    HA   SER  25           HA       SER  25  -0.152   7.445  -1.988
  154   1HB   SER  25          2HB       SER  25  -1.105   8.166  -3.985
  155   2HB   SER  25          1HB       SER  25  -2.119   6.733  -4.139
  156    HG   SER  25           HG       SER  25  -2.859   9.034  -3.242
  157    H    CYS  26           HN       CAG  26  -1.030   4.443  -1.241
  158    HA   CYS  26           HA       CAG  26  -3.529   4.526   0.016
  159   1HB   CYS  26          2HB       CAG  26  -0.834   3.273   0.480
  160   2HB   CYS  26          1HB       CAG  26  -2.152   2.988   1.619
  161    HA   PRO  27           HA       PRO  27  -2.520   7.890   2.837
  162   1HB   PRO  27          2HB       PRO  27  -5.004   7.980   4.000
  163   2HB   PRO  27          1HB       PRO  27  -4.641   8.756   2.444
  164   1HG   PRO  27          2HG       PRO  27  -5.932   6.119   2.985
  165   2HG   PRO  27          1HG       PRO  27  -6.370   7.363   1.801
  166   1HD   PRO  27          2HD       PRO  27  -5.013   5.152   1.092
  167   2HD   PRO  27          1HD       PRO  27  -4.713   6.724   0.315
  168    H    THR  28           H        THR  28  -1.119   6.778   4.133
  169    HA   THR  28           HA       THR  28  -1.028   4.567   5.533
  170    HB   THR  28           HB       THR  28   0.043   5.963   7.434
  171    HG1  THR  28           HG1      THR  28  -1.312   7.808   6.899
  172   1HG2  THR  28          3HG2      THR  28   0.834   5.274   4.844
  173   2HG2  THR  28          2HG2      THR  28   1.303   6.967   5.015
  174   3HG2  THR  28          1HG2      THR  28   1.894   5.767   6.165
  175    H    GLY  29           H        GLY  29  -3.191   4.232   5.551
  176   1HA   GLY  29          2HA       GLY  29  -4.299   3.998   8.199
  177   2HA   GLY  29          1HA       GLY  29  -5.285   4.990   7.115
  178    H    CYS  30           HN       CAG  30  -3.966   3.126   4.822
  179    HA   CYS  30           HA       CAG  30  -6.197   1.585   4.249
  180   1HB   CYS  30          2HB       CAG  30  -3.988   2.023   3.031
  181   2HB   CYS  30          1HB       CAG  30  -3.370   0.612   3.880
  182    H    ASN  31           H        ASN  31  -7.191   0.520   5.929
  183    HA   ASN  31           HA       ASN  31  -5.642  -1.620   7.359
  184   1HB   ASN  31          2HB       ASN  31  -8.065   0.070   8.042
  185   2HB   ASN  31          1HB       ASN  31  -7.649  -1.375   8.967
  186   1HD2  ASN  31          2HD2      ASN  31  -4.482   0.134  10.084
  187   2HD2  ASN  31          1HD2      ASN  31  -5.007  -1.325   9.394
  188    H    SER  32           H        SER  32  -9.015  -0.929   6.436
  189    HA   SER  32           HA       SER  32  -9.386  -3.785   5.641
  190   1HB   SER  32          2HB       SER  32 -11.802  -2.458   5.395
  191   2HB   SER  32          1HB       SER  32 -11.271  -3.304   6.844
  192    HG   SER  32           HG       SER  32 -11.041  -0.553   6.207
  193    H    ASP  33           H        ASP  33  -8.286  -3.714   3.624
  194    HA   ASP  33           HA       ASP  33  -9.719  -2.199   1.510
  195   1HB   ASP  33          2HB       ASP  33  -6.791  -2.127   2.236
  196   2HB   ASP  33          1HB       ASP  33  -7.370  -1.636   0.645
  197    H    ASP  34           H        ASP  34 -10.428  -4.498   1.261
  198    HA   ASP  34           HA       ASP  34  -8.484  -6.364   0.113
  199   1HB   ASP  34          2HB       ASP  34 -10.785  -6.650   1.586
  200   2HB   ASP  34          1HB       ASP  34 -11.383  -6.947  -0.048
  201    H    LYS  35           H        LYS  35  -9.132  -3.825  -1.066
  202    HA   LYS  35           HA       LYS  35  -9.734  -4.714  -3.815
  203   1HB   LYS  35          2HB       LYS  35 -11.731  -3.568  -2.875
  204   2HB   LYS  35          1HB       LYS  35 -10.720  -2.209  -2.382
  205   1HG   LYS  35          2HG       LYS  35 -10.122  -2.518  -5.080
  206   2HG   LYS  35          1HG       LYS  35 -11.859  -2.815  -5.004
  207   1HD   LYS  35          2HD       LYS  35 -10.852  -0.506  -3.423
  208   2HD   LYS  35          1HD       LYS  35 -10.811  -0.331  -5.177
  209   1HE   LYS  35          2HE       LYS  35 -13.305  -1.419  -4.819
  210   2HE   LYS  35          1HE       LYS  35 -13.141  -0.414  -3.365
  211   1HZ   LYS  35          2HZ       LYS  35 -12.581   0.471  -6.150
  212   2HZ   LYS  35          1HZ       LYS  35 -13.957   0.890  -5.246
  213   3HZ   LYS  35          3HZ       LYS  35 -12.425   1.427  -4.754
  214    H    CYS  36           HN       CAG  36  -7.404  -4.440  -2.270
  215    HA   CYS  36           HA       CAG  36  -5.996  -2.109  -3.500
  216   1HB   CYS  36          2HB       CAG  36  -6.180  -2.232  -0.975
  217   2HB   CYS  36          1HB       CAG  36  -5.211  -3.697  -1.081
  218    HA   PRO  37           HA       PRO  37  -3.806  -5.733  -4.956
  219   1HB   PRO  37          2HB       PRO  37  -4.553  -5.451  -7.623
  220   2HB   PRO  37          1HB       PRO  37  -5.447  -6.427  -6.442
  221   1HG   PRO  37          2HG       PRO  37  -6.303  -4.007  -7.699
  222   2HG   PRO  37          1HG       PRO  37  -7.162  -4.982  -6.502
  223   1HD   PRO  37          2HD       PRO  37  -5.563  -2.534  -6.128
  224   2HD   PRO  37          1HD       PRO  37  -6.911  -3.187  -5.173
  225    H    CYS  38           HN       CAG  38  -3.101  -3.159  -4.200
  226    HA   CYS  38           HA       CAG  38  -1.740  -1.606  -6.209
  227   1HB   CYS  38          2HB       CAG  38  -2.317  -0.479  -4.345
  228   2HB   CYS  38          1HB       CAG  38  -2.058  -1.837  -3.276
  229    H    GLY  39           H        GLY  39   0.186  -1.643  -6.902
  230   1HA   GLY  39          2HA       GLY  39   2.169  -3.598  -5.815
  231   2HA   GLY  39          1HA       GLY  39   1.932  -3.417  -7.558
  232    H    ASN  40           HN       ASN  40   1.383  -0.435  -6.272
  233    HA   ASN  40           HA       ASN  40   4.252   0.376  -6.164
  234   1HB   ASN  40          2HB       ASN  40   3.693   2.146  -7.899
  235   2HB   ASN  40          1HB       ASN  40   3.713   0.491  -8.511
  236   1HD2  ASN  40          2HD2      ASN  40   0.156   2.513  -8.272
  237   2HD2  ASN  40          1HD2      ASN  40   1.523   3.113  -7.464
   
  Start of MODEL   10
    1   1H    GLN   1          1H        GLN   1  -2.102  11.641  -5.912
    2   2H    GLN   1          3H        GLN   1  -2.266  10.580  -7.225
    3   3H    GLN   1          2H        GLN   1  -2.554  10.025  -5.645
    4    HA   GLN   1           HA       GLN   1  -0.413   9.216  -6.242
    5   1HB   GLN   1          2HB       GLN   1  -0.370  10.915  -8.144
    6   2HB   GLN   1          1HB       GLN   1   0.225  12.087  -6.969
    7   1HG   GLN   1          2HG       GLN   1   2.007  10.257  -6.416
    8   2HG   GLN   1          1HG       GLN   1   1.566   9.596  -7.991
    9   1HE2  GLN   1          2HE2      GLN   1   4.280  12.358  -8.129
   10   2HE2  GLN   1          1HE2      GLN   1   4.072  11.134  -6.972
   11    H    ASN   2           H        ASN   2  -1.645  10.099  -3.808
   12    HA   ASN   2           HA       ASN   2   0.296  11.809  -2.390
   13   1HB   ASN   2          2HB       ASN   2  -2.394  11.309  -2.207
   14   2HB   ASN   2          1HB       ASN   2  -1.766  10.306  -0.898
   15   1HD2  ASN   2          2HD2      ASN   2  -0.802  13.068   1.118
   16   2HD2  ASN   2          1HD2      ASN   2  -0.701  11.387   0.903
   17    H    GLU   3           H        GLU   3   1.355   9.301  -3.449
   18    HA   GLU   3           HA       GLU   3   1.631   7.521  -1.083
   19   1HB   GLU   3          2HB       GLU   3   2.695   6.052  -2.698
   20   2HB   GLU   3          1HB       GLU   3   1.302   6.768  -3.508
   21   1HG   GLU   3          2HG       GLU   3   3.466   8.556  -3.884
   22   2HG   GLU   3          1HG       GLU   3   4.073   6.939  -4.237
   23    H    GLY   4           H        GLY   4   2.690  10.150  -0.875
   24   1HA   GLY   4          2HA       GLY   4   5.634   9.824  -1.100
   25   2HA   GLY   4          1HA       GLY   4   4.797  11.297  -0.575
   26    H    HIS   5           H        HIS   5   4.589   7.902   0.429
   27    HA   HIS   5           HA       HIS   5   5.227   8.743   3.228
   28   1HB   HIS   5          2HB       HIS   5   3.226   7.506   3.917
   29   2HB   HIS   5          1HB       HIS   5   2.786   8.710   2.713
   30    HD1  HIS   5           HD1      HIS   5   4.364   6.010   0.865
   31    HD2  HIS   5           HD2      HIS   5   0.578   6.611   2.412
   32    HE1  HIS   5           HE1      HIS   5   2.862   4.237  -0.130
   33    H    GLU   6           H        GLU   6   5.144   6.538   4.586
   34    HA   GLU   6           HA       GLU   6   6.988   4.654   3.212
   35   1HB   GLU   6          2HB       GLU   6   5.986   4.941   6.061
   36   2HB   GLU   6          1HB       GLU   6   7.100   3.681   5.529
   37   1HG   GLU   6          2HG       GLU   6   8.861   5.107   5.401
   38   2HG   GLU   6          1HG       GLU   6   7.876   6.415   4.745
   39    H    CYS   7           HN       CNP   7   6.031   2.856   2.303
   40    HA   CYS   7           HA       CNP   7   3.277   2.436   2.118
   41   1HB   CYS   7          2HB       CNP   7   4.753   1.187   0.730
   42   2HB   CYS   7          1HB       CNP   7   5.614   0.508   2.109
   43    H    GLN   8           H        GLN   8   1.854   2.318   3.821
   44    HA   GLN   8           HA       GLN   8   2.722   0.667   6.186
   45   1HB   GLN   8          2HB       GLN   8   1.836   3.445   5.887
   46   2HB   GLN   8          1HB       GLN   8   0.938   2.565   7.125
   47   1HG   GLN   8          2HG       GLN   8   2.849   2.140   8.401
   48   2HG   GLN   8          1HG       GLN   8   3.930   2.335   7.022
   49   1HE2  GLN   8          2HE2      GLN   8   4.539   5.492   8.636
   50   2HE2  GLN   8          1HE2      GLN   8   5.102   3.893   8.546
   51    H    CYS   9           HN       CAG   9   1.187  -0.362   3.994
   52    HA   CYS   9           HA       CAG   9  -1.650  -0.299   4.660
   53   1HB   CYS   9          2HB       CAG   9   0.214  -1.903   2.929
   54   2HB   CYS   9          1HB       CAG   9  -1.517  -2.254   2.974
   55    H    GLN  10           H        GLN  10  -2.811  -2.138   5.623
   56    HA   GLN  10           HA       GLN  10  -1.201  -3.564   7.653
   57   1HB   GLN  10          2HB       GLN  10  -4.027  -2.837   7.122
   58   2HB   GLN  10          1HB       GLN  10  -3.786  -4.350   7.997
   59   1HG   GLN  10          2HG       GLN  10  -1.984  -2.600   9.198
   60   2HG   GLN  10          1HG       GLN  10  -3.411  -1.603   8.916
   61   1HE2  GLN  10          2HE2      GLN  10  -4.786  -2.959  11.869
   62   2HE2  GLN  10          1HE2      GLN  10  -4.315  -1.564  11.023
   63    H    CYS  11           HN       CNP  11  -1.500  -4.205   4.550
   64    HA   CYS  11           HA       CNP  11  -2.594  -6.888   4.502
   65   1HB   CYS  11          2HB       CNP  11  -0.824  -5.432   2.531
   66   2HB   CYS  11          1HB       CNP  11  -2.023  -6.654   2.205
   67    H    GLY  12           H        GLY  12  -0.778  -8.155   2.909
   68   1HA   GLY  12          2HA       GLY  12   1.606  -8.529   4.667
   69   2HA   GLY  12          1HA       GLY  12   0.850  -9.841   3.754
   70    H    SER  13           H        SER  13   0.367  -7.901   1.483
   71    HA   SER  13           HA       SER  13   2.820  -8.428   0.012
   72   1HB   SER  13          2HB       SER  13   1.256  -8.245  -1.615
   73   2HB   SER  13          1HB       SER  13   0.086  -7.658  -0.438
   74    HG   SER  13           HG       SER  13   0.805  -5.581  -0.800
   75    H    CYS  14           HN       CAG  14   1.463  -5.703   1.789
   76    HA   CYS  14           HA       CAG  14   3.448  -3.799   0.771
   77   1HB   CYS  14          2HB       CAG  14   1.111  -3.846   2.692
   78   2HB   CYS  14          1HB       CAG  14   2.167  -2.477   2.589
   79    H    LYS  15           H        LYS  15   2.546  -5.451   3.771
   80    HA   LYS  15           HA       LYS  15   4.632  -4.425   5.442
   81   1HB   LYS  15          2HB       LYS  15   2.995  -6.984   5.453
   82   2HB   LYS  15          1HB       LYS  15   3.948  -6.413   6.823
   83   1HG   LYS  15          2HG       LYS  15   2.618  -4.222   6.625
   84   2HG   LYS  15          1HG       LYS  15   1.525  -5.117   5.569
   85   1HD   LYS  15          2HD       LYS  15   0.641  -5.240   7.816
   86   2HD   LYS  15          1HD       LYS  15   1.280  -6.830   7.402
   87   1HE   LYS  15          2HE       LYS  15   3.508  -5.672   8.477
   88   2HE   LYS  15          1HE       LYS  15   2.232  -4.902   9.439
   89   1HZ   LYS  15          2HZ       LYS  15   2.043  -7.775   8.861
   90   2HZ   LYS  15          1HZ       LYS  15   3.104  -7.263  10.085
   91   3HZ   LYS  15          3HZ       LYS  15   1.450  -6.904  10.194
   92    H    ASN  16           H        ASN  16   4.540  -6.997   3.053
   93    HA   ASN  16           HA       ASN  16   7.348  -7.755   3.804
   94   1HB   ASN  16          2HB       ASN  16   5.367  -9.488   2.320
   95   2HB   ASN  16          1HB       ASN  16   6.792  -9.989   3.227
   96   1HD2  ASN  16          2HD2      ASN  16   4.891  -8.926   6.351
   97   2HD2  ASN  16          1HD2      ASN  16   6.221  -8.237   5.551
   98    H    ASN  17           H        ASN  17   5.275  -8.273   0.925
   99    HA   ASN  17           HA       ASN  17   7.301  -8.159  -1.019
  100   1HB   ASN  17          2HB       ASN  17   4.473  -8.243  -0.852
  101   2HB   ASN  17          1HB       ASN  17   4.867  -6.922  -1.953
  102   1HD2  ASN  17          2HD2      ASN  17   4.850 -10.314  -3.722
  103   2HD2  ASN  17          1HD2      ASN  17   3.747  -9.631  -2.628
  104    H    GLU  18           H        GLU  18   8.814  -6.505  -0.891
  105    HA   GLU  18           HA       GLU  18   7.996  -3.731  -0.433
  106   1HB   GLU  18          2HB       GLU  18  10.396  -3.328  -0.567
  107   2HB   GLU  18          1HB       GLU  18  10.127  -4.796   0.372
  108   1HG   GLU  18          2HG       GLU  18  10.276  -5.534  -2.383
  109   2HG   GLU  18          1HG       GLU  18  11.656  -4.495  -2.022
  110    H    GLN  19           H        GLN  19   7.513  -5.607  -3.013
  111    HA   GLN  19           HA       GLN  19   8.655  -4.064  -5.171
  112   1HB   GLN  19          2HB       GLN  19   7.236  -6.471  -4.764
  113   2HB   GLN  19          1HB       GLN  19   6.260  -5.508  -5.872
  114   1HG   GLN  19          2HG       GLN  19   8.765  -5.116  -6.899
  115   2HG   GLN  19          1HG       GLN  19   8.894  -6.769  -6.297
  116   1HE2  GLN  19          2HE2      GLN  19   6.785  -6.062  -9.655
  117   2HE2  GLN  19          1HE2      GLN  19   7.725  -4.866  -8.900
  118    H    CYS  20           HN       CAG  20   5.922  -3.750  -3.198
  119    HA   CYS  20           HA       CAG  20   4.743  -1.646  -4.952
  120   1HB   CYS  20          2HB       CAG  20   2.668  -2.259  -3.752
  121   2HB   CYS  20          1HB       CAG  20   3.433  -3.669  -4.483
  122    H    GLN  21           H        GLN  21   6.760  -1.857  -2.358
  123    HA   GLN  21           HA       GLN  21   5.479   0.178  -0.627
  124   1HB   GLN  21          2HB       GLN  21   7.335  -0.293   0.806
  125   2HB   GLN  21          1HB       GLN  21   6.843  -1.833   0.110
  126   1HG   GLN  21          2HG       GLN  21   8.809  -2.090  -0.979
  127   2HG   GLN  21          1HG       GLN  21   8.846  -0.416  -1.511
  128   1HE2  GLN  21          2HE2      GLN  21  10.328  -1.189   2.256
  129   2HE2  GLN  21          1HE2      GLN  21   8.981  -2.065   1.705
  130    H    LYS  22           H        LYS  22   6.712   0.476  -3.528
  131    HA   LYS  22           HA       LYS  22   8.822   2.416  -3.233
  132   1HB   LYS  22          2HB       LYS  22   7.181   1.211  -5.388
  133   2HB   LYS  22          1HB       LYS  22   8.056   2.699  -5.757
  134   1HG   LYS  22          2HG       LYS  22   9.826   1.349  -6.165
  135   2HG   LYS  22          1HG       LYS  22   9.951   1.217  -4.410
  136   1HD   LYS  22          2HD       LYS  22   9.207  -0.925  -4.401
  137   2HD   LYS  22          1HD       LYS  22   7.951  -0.587  -5.592
  138   1HE   LYS  22          2HE       LYS  22   9.503  -2.104  -6.650
  139   2HE   LYS  22          1HE       LYS  22   9.834  -0.501  -7.339
  140   1HZ   LYS  22          1HZ       LYS  22  11.232  -1.688  -4.999
  141   2HZ   LYS  22          3HZ       LYS  22  11.873  -1.580  -6.566
  142   3HZ   LYS  22          2HZ       LYS  22  11.550  -0.166  -5.684
  143    H    SER  23           H        SER  23   5.634   2.757  -4.576
  144    HA   SER  23           HA       SER  23   5.333   5.411  -3.274
  145   1HB   SER  23          2HB       SER  23   5.937   4.862  -6.120
  146   2HB   SER  23          1HB       SER  23   4.678   6.061  -5.834
  147    HG   SER  23           HG       SER  23   6.620   7.128  -5.799
  148    H    CYS  24           HN       CNP  24   3.711   3.304  -2.626
  149    HA   CYS  24           HA       CNP  24   1.298   3.247  -4.252
  150   1HB   CYS  24          2HB       CNP  24   0.857   1.483  -2.843
  151   2HB   CYS  24          1HB       CNP  24   2.582   1.569  -2.648
  152    H    SER  25           H        SER  25  -0.311   4.767  -4.081
  153    HA   SER  25           HA       SER  25  -0.034   6.948  -2.155
  154   1HB   SER  25          2HB       SER  25  -2.373   7.450  -3.309
  155   2HB   SER  25          1HB       SER  25  -0.878   7.608  -4.227
  156    HG   SER  25           HG       SER  25  -1.676   6.139  -5.486
  157    H    CYS  26           HN       CAG  26  -0.818   4.021  -1.298
  158    HA   CYS  26           HA       CAG  26  -3.398   3.951  -0.239
  159   1HB   CYS  26          2HB       CAG  26  -0.645   2.983   0.476
  160   2HB   CYS  26          1HB       CAG  26  -1.979   2.706   1.602
  161    HA   PRO  27           HA       PRO  27  -2.799   7.588   2.403
  162   1HB   PRO  27          2HB       PRO  27  -5.430   7.734   3.186
  163   2HB   PRO  27          1HB       PRO  27  -4.844   8.426   1.659
  164   1HG   PRO  27          2HG       PRO  27  -6.204   5.812   2.146
  165   2HG   PRO  27          1HG       PRO  27  -6.463   6.991   0.847
  166   1HD   PRO  27          2HD       PRO  27  -5.019   4.755   0.455
  167   2HD   PRO  27          1HD       PRO  27  -4.601   6.291  -0.343
  168    H    THR  28           H        THR  28  -1.573   6.467   3.863
  169    HA   THR  28           HA       THR  28  -1.701   4.299   5.310
  170    HB   THR  28           HB       THR  28  -0.759   5.645   7.270
  171    HG1  THR  28           HG1      THR  28  -1.170   7.690   7.270
  172   1HG2  THR  28          3HG2      THR  28   0.231   6.218   4.464
  173   2HG2  THR  28          2HG2      THR  28   1.191   6.370   5.935
  174   3HG2  THR  28          1HG2      THR  28   0.612   4.786   5.419
  175    H    GLY  29           H        GLY  29  -3.815   3.969   5.083
  176   1HA   GLY  29          2HA       GLY  29  -5.274   3.825   7.563
  177   2HA   GLY  29          1HA       GLY  29  -6.103   4.770   6.316
  178    H    CYS  30           HN       CAG  30  -4.552   2.901   4.241
  179    HA   CYS  30           HA       CAG  30  -6.700   1.227   3.562
  180   1HB   CYS  30          2HB       CAG  30  -4.496   1.848   2.383
  181   2HB   CYS  30          1HB       CAG  30  -3.786   0.493   3.257
  182    H    ASN  31           H        ASN  31  -7.655  -0.295   4.831
  183    HA   ASN  31           HA       ASN  31  -5.897  -2.155   6.395
  184   1HB   ASN  31          2HB       ASN  31  -8.350  -0.591   7.214
  185   2HB   ASN  31          1HB       ASN  31  -7.832  -2.022   8.105
  186   1HD2  ASN  31          2HD2      ASN  31  -6.147   1.322   9.194
  187   2HD2  ASN  31          1HD2      ASN  31  -7.727   1.102   8.613
  188    H    SER  32           H        SER  32  -8.018  -1.972   3.895
  189    HA   SER  32           HA       SER  32  -9.364  -4.556   4.586
  190   1HB   SER  32          2HB       SER  32 -10.135  -2.530   2.473
  191   2HB   SER  32          1HB       SER  32 -11.131  -3.822   3.133
  192    HG   SER  32           HG       SER  32 -10.596  -2.616   5.229
  193    H    ASP  33           H        ASP  33  -9.494  -6.133   2.853
  194    HA   ASP  33           HA       ASP  33  -7.064  -6.242   1.210
  195   1HB   ASP  33          2HB       ASP  33  -7.905  -8.511   0.739
  196   2HB   ASP  33          1HB       ASP  33  -8.000  -8.168   2.467
  197    H    ASP  34           H        ASP  34 -10.556  -5.814   0.670
  198    HA   ASP  34           HA       ASP  34 -10.132  -5.756  -2.242
  199   1HB   ASP  34          2HB       ASP  34 -12.476  -5.840  -0.368
  200   2HB   ASP  34          1HB       ASP  34 -12.736  -5.293  -2.025
  201    H    LYS  35           H        LYS  35  -9.058  -3.790  -0.455
  202    HA   LYS  35           HA       LYS  35 -10.051  -1.392  -1.868
  203   1HB   LYS  35          2HB       LYS  35 -11.021  -1.534   0.469
  204   2HB   LYS  35          1HB       LYS  35  -9.370  -1.536   1.093
  205   1HG   LYS  35          2HG       LYS  35 -10.187   0.736   1.197
  206   2HG   LYS  35          1HG       LYS  35  -8.998   0.653  -0.102
  207   1HD   LYS  35          2HD       LYS  35 -10.810   1.841  -1.054
  208   2HD   LYS  35          1HD       LYS  35 -11.009   0.197  -1.659
  209   1HE   LYS  35          2HE       LYS  35 -12.674  -0.279   0.084
  210   2HE   LYS  35          1HE       LYS  35 -12.445   1.345   0.764
  211   1HZ   LYS  35          2HZ       LYS  35 -12.806   1.909  -1.822
  212   2HZ   LYS  35          1HZ       LYS  35 -13.801   0.540  -1.675
  213   3HZ   LYS  35          3HZ       LYS  35 -14.068   1.890  -0.684
  214    H    CYS  36           HN       CAG  36  -7.936  -3.298  -2.144
  215    HA   CYS  36           HA       CAG  36  -5.573  -1.480  -1.895
  216   1HB   CYS  36          2HB       CAG  36  -5.878  -3.484  -0.275
  217   2HB   CYS  36          1HB       CAG  36  -5.434  -4.438  -1.676
  218    HA   PRO  37           HA       PRO  37  -5.787  -3.392  -5.998
  219   1HB   PRO  37          2HB       PRO  37  -6.568  -1.173  -7.441
  220   2HB   PRO  37          1HB       PRO  37  -7.712  -2.349  -6.768
  221   1HG   PRO  37          2HG       PRO  37  -7.188   0.383  -5.923
  222   2HG   PRO  37          1HG       PRO  37  -8.524  -0.689  -5.492
  223   1HD   PRO  37          2HD       PRO  37  -6.173  -0.028  -3.959
  224   2HD   PRO  37          1HD       PRO  37  -7.592  -0.985  -3.479
  225    H    CYS  38           HN       CAG  38  -3.802  -2.333  -4.289
  226    HA   CYS  38           HA       CAG  38  -2.154  -0.400  -5.779
  227   1HB   CYS  38          2HB       CAG  38  -2.136  -0.228  -3.489
  228   2HB   CYS  38          1HB       CAG  38  -2.069  -1.958  -3.216
  229    H    GLY  39           H        GLY  39  -0.448  -0.776  -6.846
  230   1HA   GLY  39          2HA       GLY  39   0.600  -3.551  -7.164
  231   2HA   GLY  39          1HA       GLY  39   0.241  -2.581  -8.599
  232    H    ASN  40           HN       ASN  40   1.187  -0.479  -6.201
  233    HA   ASN  40           HA       ASN  40   4.103  -0.766  -6.790
  234   1HB   ASN  40          2HB       ASN  40   4.242   1.333  -7.823
  235   2HB   ASN  40          1HB       ASN  40   2.697   0.737  -8.423
  236   1HD2  ASN  40          2HD2      ASN  40   0.829   2.925  -6.139
  237   2HD2  ASN  40          1HD2      ASN  40   0.816   1.303  -6.637
   
   
  No H/Q in entry =         237